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 2.2-2.3 3.6=100 Violated in 0 structures by 0.00 A. Peak 6004 from nnoeabs.peaks (1.94, 8.51, 127.16 ppm; 5.24 A): 2 out of 2 assignments used, quality = 1.00: * HB2 MET 1 + H LEU 2 OK 100 100 100 100 3.6-4.1 4.6=100 QE MET 1 + H LEU 2 OK 67 68 100 99 3.1-4.0 3.3/6006=70, 3.3/36=65...(11) 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 4 assignments used, quality = 1.00: * HB3 MET 1 + H LEU 2 OK 100 100 100 100 3.9-4.2 4.6=100 QE MET 1 + H LEU 2 OK 83 84 100 100 3.1-4.0 3.3/6006=67, 3.3/36=61...(13) HB2 GLN 50 - H LEU 2 far 0 91 0 - 6.9-9.2 HB3 GLU 99 - H LEU 2 far 0 68 0 - 9.8-13.1 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 1.9-2.2 29=99, 5/8=74, 1.8/36=72...(9) HB3 GLN 50 - H LEU 2 far 0 87 0 - 6.2-7.5 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 5 assignments used, quality = 1.00: * HG3 MET 1 + H LEU 2 OK 100 100 100 100 3.1-3.9 36=100, 1.8/6006=92...(8) HG3 GLU 48 - H LEU 2 far 0 99 0 - 6.4-7.0 HG2 GLN 50 - H LEU 2 far 0 94 0 - 7.0-9.2 HG3 GLN 50 - H LEU 2 far 0 98 0 - 7.1-9.7 HG3 GLU 99 - H LEU 2 far 0 92 0 - 9.7-14.5 Violated in 0 structures by 0.00 A. Peak 6008 from nnoeabs.peaks (1.98, 8.51, 127.16 ppm; 4.97 A): 3 out of 3 assignments used, quality = 1.00: * QE MET 1 + H LEU 2 OK 100 100 100 100 3.1-4.0 37/8=71, 43=68...(13) HB3 MET 1 + H LEU 2 OK 84 84 100 100 3.9-4.2 4.6=100 HB2 MET 1 + H LEU 2 OK 68 68 100 100 3.6-4.1 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 2.9-2.9 3.0=100 HA GLU 48 - H LEU 2 far 0 68 0 - 7.2-9.2 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 3 assignments used, quality = 1.00: * HB2 LEU 2 + H LEU 2 OK 100 100 100 100 2.8-3.1 4.0=100 HB ILE 52 - H LEU 2 far 0 75 0 - 4.8-5.5 HB3 LYS 53 - H LEU 2 far 0 96 0 - 5.7-6.7 Violated in 0 structures by 0.00 A. Peak 6011 from nnoeabs.peaks (1.33, 8.51, 127.16 ppm; 4.60 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 2 + H LEU 2 OK 100 100 100 100 3.7-3.9 4.0=100 HG LEU 3 + H LEU 2 OK 69 70 100 99 3.8-4.5 ~8050=41, ~8087=40...(14) HB3 LEU 27 - H LEU 2 far 0 99 0 - 8.5-9.9 Violated in 0 structures by 0.00 A. Peak 6012 from nnoeabs.peaks (1.51, 8.51, 127.16 ppm; 4.29 A): 1 out of 4 assignments used, quality = 0.99: * HG LEU 2 + H LEU 2 OK 99 100 100 99 2.1-2.9 4.7=75, ~49=43...(10) HB2 LEU 3 - H LEU 2 far 0 61 0 - 5.8-6.0 HD3 LYS 53 - H LEU 2 far 0 63 0 - 6.5-7.8 HB3 LEU 103 - H LEU 2 far 0 99 0 - 9.1-17.0 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 2.8-4.2 4.7=100 QG2 ILE 52 - H LEU 2 far 0 77 0 - 5.6-5.9 QD2 LEU 103 - H LEU 2 far 0 94 0 - 7.1-13.9 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 3 assignments used, quality = 1.00: * QD1 LEU 2 + H LEU 2 OK 100 100 100 100 2.1-3.9 4.7=100 QD1 LEU 103 - H LEU 2 far 0 94 0 - 7.4-14.3 QG2 ILE 76 - H LEU 2 far 0 100 0 - 8.5-9.3 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 4.4-4.5 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 4.4-4.5 4.6=100 H VAL 54 - H LEU 3 far 0 93 0 - 7.9-8.2 H ASN 51 - H LEU 3 far 0 85 0 - 8.1-8.7 H GLN 50 - H LEU 3 far 0 59 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 6018 from nnoeabs.peaks (4.46, 7.84, 122.56 ppm; 3.03 A): 1 out of 2 assignments used, quality = 0.99: * HA LEU 2 + H LEU 3 OK 99 100 100 99 2.2-2.3 51=96, 3.0/67=32...(10) HA GLU 48 - H LEU 3 far 0 68 0 - 8.9-11.1 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 3 assignments used, quality = 1.00: * HB2 LEU 2 + H LEU 3 OK 100 100 100 100 3.4-3.9 4.6=100 HB3 LYS 53 - H LEU 3 far 0 96 0 - 5.5-6.1 HB ILE 52 - H LEU 3 far 0 75 0 - 5.9-6.8 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 4 assignments used, quality = 0.99: * HB3 LEU 2 + H LEU 3 OK 98 100 100 98 2.9-3.2 67=78, 3.0/6018=70...(7) HG LEU 3 + H LEU 3 OK 69 70 100 99 3.4-3.6 2.1/132=61, 3.0/6025=60...(11) HB3 LEU 27 - H LEU 3 far 0 99 0 - 4.4-5.7 QB ALA 25 - H LEU 3 far 0 100 0 - 7.5-8.2 Violated in 0 structures by 0.00 A. Peak 6021 from nnoeabs.peaks (1.51, 7.84, 122.56 ppm; 3.88 A): 1 out of 3 assignments used, quality = 0.61: HB2 LEU 3 + H LEU 3 OK 61 61 100 100 2.6-2.8 4.0=89, 3.0/116=57...(11) ! HG LEU 2 - H LEU 3 far 0 100 0 - 4.9-5.2 HD3 LYS 53 - H LEU 3 far 0 63 0 - 7.4-8.7 Violated in 0 structures by 0.00 A. Peak 6022 from nnoeabs.peaks (0.81, 7.84, 122.56 ppm; 4.65 A increased from 4.14 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 2 + H LEU 3 OK 100 100 100 100 4.0-4.7 83=97, 49/6018=80...(7) QG2 ILE 52 - H LEU 3 far 0 77 0 - 6.4-6.8 QD1 LEU 6 - H LEU 3 far 0 61 0 - 9.6-10.2 QD2 LEU 103 - H LEU 3 far 0 94 0 - 10.0-14.4 Violated in 3 structures by 0.01 A. Peak 6023 from nnoeabs.peaks (0.88, 7.84, 122.56 ppm; 5.12 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 2 + H LEU 3 OK 100 100 100 100 4.8-5.1 5.0=100 QG2 ILE 76 - H LEU 3 far 0 100 0 - 8.8-9.6 QD1 LEU 103 - H LEU 3 far 0 94 0 - 10.0-15.9 Violated in 0 structures by 0.00 A. Peak 6024 from nnoeabs.peaks (5.13, 7.84, 122.56 ppm; 4.07 A): 1 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 far 0 96 0 - 4.8-4.9 HA VAL 54 - H LEU 3 far 0 75 0 - 6.7-7.3 HA VAL 5 - H LEU 3 far 0 90 0 - 8.6-8.8 Violated in 0 structures by 0.00 A. Peak 6025 from nnoeabs.peaks (1.55, 7.84, 122.56 ppm; 3.63 A): 1 out of 4 assignments used, quality = 0.99: * HB2 LEU 3 + H LEU 3 OK 99 100 100 99 2.6-2.8 4.0=73, 3.0/116=50...(11) HG LEU 2 - H LEU 3 far 0 61 0 - 4.9-5.2 HB3 GLU 28 - H LEU 3 far 0 99 0 - 5.0-5.6 HD3 LYS 53 - H LEU 3 far 0 100 0 - 7.4-8.7 Violated in 0 structures by 0.00 A. Peak 6026 from nnoeabs.peaks (1.15, 7.84, 122.56 ppm; 4.13 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 3 + H LEU 3 OK 100 100 100 100 3.7-3.9 4.0=100 HB2 LEU 29 - H LEU 3 far 0 99 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 6027 from nnoeabs.peaks (1.30, 7.84, 122.56 ppm; 3.69 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 3 + H LEU 3 OK 100 100 100 100 3.4-3.6 116=82, 2.1/132=59...(11) HB3 LEU 2 + H LEU 3 OK 66 70 100 95 2.9-3.2 3.0/6018=68, 4.6=51...(7) Violated in 0 structures by 0.00 A. Peak 6028 from nnoeabs.peaks (0.26, 7.84, 122.56 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 3 + H LEU 3 OK 100 100 100 100 4.4-4.5 124=98, 2.1/116=85...(8) Violated in 0 structures by 0.00 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 3.6-4.1 132=100, 2.1/116=79...(11) QD1 LEU 55 - H LEU 3 far 0 82 0 - 9.6-10.3 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 1 assignment 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...(9) Violated in 0 structures by 0.00 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 95 100 100 95 2.2-2.2 99=64, 125/6037=26...(15) HA TYR 4 + H TYR 4 OK 92 96 100 95 2.9-2.9 3.0=84, 3.0/6040=35...(11) HA VAL 54 + H TYR 4 OK 53 75 85 84 2.5-3.2 3.2/9227=20, 3.6/9293=20...(16) HA VAL 5 - H TYR 4 far 0 90 0 - 4.8-4.9 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 4.0-4.2 4.4=85, 1.8/6035=78...(11) HB3 GLU 28 - H TYR 4 far 0 99 0 - 5.9-6.5 HD3 LYS 82 - H GLU 63 far 0 54 0 - 6.1-7.0 HD3 LYS 53 - H TYR 4 far 0 100 0 - 6.1-6.9 HG LEU 6 - H TYR 4 far 0 81 0 - 6.9-7.3 HG LEU 2 - H TYR 4 far 0 61 0 - 7.8-8.4 HG3 ARG 79 - H TYR 4 far 0 94 0 - 8.0-10.7 HG12 ILE 56 - H TYR 4 far 0 90 0 - 8.0-8.5 HG2 ARG 79 - H TYR 4 far 0 93 0 - 8.6-10.6 HG3 ARG 30 - H TYR 4 far 0 88 0 - 9.2-11.2 Violated in 3 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 2.9-3.2 4.4=81, 3.0/99=76...(11) HG3 LYS 82 - H GLU 63 far 0 55 0 - 7.5-8.1 HB2 LEU 29 - H TYR 4 far 0 99 0 - 7.6-8.1 HB2 LEU 6 - H TYR 4 far 0 77 0 - 7.9-8.3 QG2 THR 34 - H GLU 63 far 0 44 0 - 9.6-10.6 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 4.6-4.7 2.1/6037=90, 123=82...(12) QB ALA 67 - H GLU 63 far 0 29 0 - 5.8-6.0 HB3 LEU 2 - H TYR 4 far 0 70 0 - 6.0-6.3 HG2 ARG 30 - H TYR 4 far 0 100 0 - 8.9-10.0 Violated in 3 structures by 0.00 A. Peak 6037 from nnoeabs.peaks (0.26, 8.36, 119.31 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 3 + H TYR 4 OK 100 100 100 100 3.2-3.5 131=80, 125/99=65...(13) Violated in 0 structures by 0.00 A. Peak 6038 from nnoeabs.peaks (0.46, 8.36, 119.31 ppm; 5.35 A increased from 5.04 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 3 + H TYR 4 OK 100 100 100 100 5.0-5.1 5.0=100 QD1 LEU 55 - H TYR 4 far 0 82 0 - 6.4-7.0 Violated in 0 structures by 0.00 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 97 100 100 97 2.9-2.9 3.0=87, 3.0/6040=36...(11) HA LEU 3 + H TYR 4 OK 92 96 100 95 2.2-2.2 99=64, 3.0/6035=26...(15) HA VAL 54 + H TYR 4 OK 73 96 85 89 2.5-3.2 10203=27, 6902/9293=21...(16) HA VAL 5 - H TYR 4 far 0 63 0 - 4.8-4.9 Violated in 0 structures by 0.00 A. Peak 6040 from nnoeabs.peaks (2.29, 8.36, 119.31 ppm; 3.36 A): 1 out of 6 assignments used, quality = 0.97: * HB2 TYR 4 + H TYR 4 OK 97 100 100 97 2.7-2.8 3.8=71, 2.5/6042=51...(9) HG2 GLU 63 - H GLU 63 far 6 58 10 - 2.6-3.9 HG2 GLU 62 - H GLU 63 far 0 40 0 - 4.1-5.0 HG3 GLU 62 - H GLU 63 far 0 40 0 - 4.7-5.0 HB2 GLU 48 - H TYR 4 far 0 100 0 - 8.1-10.0 HB2 TYR 41 - H TYR 4 far 0 88 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 6041 from nnoeabs.peaks (2.46, 8.36, 119.31 ppm; 3.97 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 4 + H TYR 4 OK 100 100 100 100 3.8-3.9 3.8=100 HG3 GLU 48 - H TYR 4 far 0 79 0 - 8.5-10.5 HG3 GLU 99 - H TYR 4 far 0 92 0 - 8.6-12.3 Violated in 0 structures by 0.00 A. Peak 6042 from nnoeabs.peaks (6.43, 8.36, 119.31 ppm; 3.79 A): 1 out of 2 assignments used, quality = 0.99: * QD TYR 4 + H TYR 4 OK 99 100 100 99 2.7-3.2 2.5/6040=73, 4.5=58...(15) QE TYR 4 - H TYR 4 far 0 98 0 - 4.9-5.3 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 - 9.1-9.9 H LEU 57 - H TYR 4 far 0 99 0 - 10.0-10.6 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 - 9.6-10.6 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 2.4-2.5 146=75, 3.0/6049=31...(13) HA VAL 5 + H VAL 5 OK 62 63 100 98 2.9-2.9 3.0=94, 3.0/6053=37...(12) HA VAL 54 - H VAL 5 far 0 96 0 - 4.3-4.6 HA LEU 3 - H VAL 5 far 0 96 0 - 6.4-6.4 HA ILE 7 - H VAL 5 far 0 98 0 - 8.0-8.3 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 2 assignments used, quality = 1.00: * HB2 TYR 4 + H VAL 5 OK 100 100 100 100 3.6-3.7 1.8/6049=88, 4.6=82...(11) HB2 TYR 41 - H VAL 5 far 0 88 0 - 6.8-7.3 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 2.3-2.4 3.0/146=70, 160=66...(10) HG3 GLU 23 - H VAL 5 far 0 73 0 - 9.4-9.9 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 3.4-3.8 2.5/6049=74, 3.7/146=66...(15) QE TYR 4 - H VAL 5 far 0 98 0 - 5.6-5.9 Violated in 0 structures by 0.00 A. Peak 6052 from nnoeabs.peaks (5.11, 8.92, 119.95 ppm; 3.46 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 5 + H VAL 5 OK 100 100 100 100 2.9-2.9 3.0=100 HA TYR 4 + H VAL 5 OK 63 63 100 99 2.4-2.5 3.6=92, 3.0/6049=46...(13) HA LEU 3 - H VAL 5 far 0 90 0 - 6.4-6.4 HA ILE 7 - H VAL 5 far 0 85 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 6053 from nnoeabs.peaks (1.86, 8.92, 119.95 ppm; 3.47 A): 1 out of 6 assignments used, quality = 0.99: * HB VAL 5 + H VAL 5 OK 99 100 100 99 2.8-3.0 167=76, 2.1/6055=66...(12) HB VAL 54 - H VAL 5 far 0 87 0 - 6.4-7.0 HB3 LEU 57 - H VAL 5 far 0 63 0 - 8.3-8.8 HB2 LYS 53 - H VAL 5 far 0 92 0 - 8.3-9.0 HG LEU 42 - H VAL 5 far 0 68 0 - 9.2-9.8 HB2 ARG 19 - H VAL 5 far 0 75 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 6054 from nnoeabs.peaks (0.73, 8.92, 119.95 ppm; 4.07 A increased from 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=100 QG1 VAL 54 + H VAL 5 OK 64 68 100 95 3.5-4.2 8147/6049=40...(14) QD2 LEU 6 - H VAL 5 far 0 57 0 - 4.4-5.0 QG2 ILE 93 - H VAL 5 far 0 87 0 - 5.8-6.7 QD2 LEU 27 - H VAL 5 far 0 100 0 - 5.9-6.7 QD1 ILE 52 - H VAL 5 far 0 73 0 - 6.1-7.4 QG1 VAL 78 - H VAL 5 far 0 93 0 - 7.4-7.9 HG13 ILE 93 - H VAL 5 far 0 95 0 - 7.4-8.9 HG13 ILE 56 - H VAL 5 far 0 98 0 - 7.4-7.7 QD1 ILE 56 - H VAL 5 far 0 93 0 - 7.9-8.2 QG2 VAL 78 - H VAL 5 far 0 100 0 - 8.6-9.3 QD1 ILE 8 - H VAL 5 far 0 95 0 - 9.3-9.7 QD1 LEU 42 - H VAL 5 far 0 61 0 - 9.4-9.8 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 = 0.99: * QG2 VAL 5 + H VAL 5 OK 99 100 100 99 2.8-3.1 179=78, 2.1/6053=67...(12) HG LEU 55 - H VAL 5 far 0 94 0 - 6.8-7.6 QG1 VAL 32 - H VAL 5 far 0 57 0 - 9.7-10.0 QG2 THR 80 - H VAL 5 far 0 70 0 - 9.8-10.2 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 4.0-4.3 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): 1 out of 3 assignments used, quality = 0.98: H LEU 57 + H LEU 6 OK 98 99 100 100 3.5-4.1 9333=76, 6930/8216=63...(14) ! H VAL 5 - H LEU 6 poor 20 100 20 100 4.0-4.3 3.0/6059=80, 4.7=64...(13) H ARG 19 - H LEU 6 far 0 94 0 - 9.6-10.6 Violated in 3 structures by 0.01 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 2.1-2.2 166=71, 3.2/6067=38...(17) HA ILE 7 - H LEU 6 far 0 85 0 - 4.6-4.9 HA TYR 4 - H LEU 6 far 0 63 0 - 6.1-6.5 HA LEU 3 - H LEU 6 far 0 90 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 6060 from nnoeabs.peaks (1.86, 9.31, 126.92 ppm; 4.45 A): 1 out of 6 assignments used, quality = 1.00: * HB VAL 5 + H LEU 6 OK 100 100 100 100 3.8-4.3 4.4=100 HB3 LEU 57 - H LEU 6 far 10 63 15 - 4.6-5.3 HB VAL 54 - H LEU 6 far 0 87 0 - 5.3-6.1 HB ILE 8 - H LEU 6 far 0 70 0 - 7.8-8.4 HG LEU 42 - H LEU 6 far 0 68 0 - 8.1-8.5 HB2 LYS 53 - H LEU 6 far 0 92 0 - 8.8-9.6 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 2.1-2.9 178=61, 3.2/6059=48...(16) QG1 VAL 54 + H LEU 6 OK 43 68 90 70 2.5-3.4 4.1/9294=23...(11) HG13 ILE 56 - H LEU 6 far 0 98 0 - 4.1-4.5 QD2 LEU 6 - H LEU 6 far 0 57 0 - 4.1-4.3 QD1 ILE 56 - H LEU 6 far 0 93 0 - 5.3-5.7 QD1 ILE 8 - H LEU 6 far 0 95 0 - 6.1-6.5 QG1 VAL 78 - H LEU 6 far 0 93 0 - 6.2-6.9 HG13 ILE 93 - H LEU 6 far 0 95 0 - 6.3-7.6 QG2 ILE 93 - H LEU 6 far 0 87 0 - 6.6-7.2 QG1 VAL 58 - H LEU 6 far 0 100 0 - 6.7-7.0 QG2 VAL 78 - H LEU 6 far 0 100 0 - 6.8-7.3 QD1 LEU 42 - H LEU 6 far 0 61 0 - 7.9-8.4 QD1 ILE 52 - H LEU 6 far 0 73 0 - 8.3-9.6 QD2 LEU 14 - H LEU 6 far 0 94 0 - 8.4-8.8 QD1 LEU 64 - H LEU 6 far 0 96 0 - 8.5-9.2 QD2 LEU 27 - H LEU 6 far 0 100 0 - 8.6-9.2 HG3 ARG 81 - H LEU 6 far 0 98 0 - 8.8-10.4 QD1 ILE 15 - H LEU 6 far 0 71 0 - 9.9-10.6 HG13 ILE 15 - H LEU 6 far 0 81 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 6062 from nnoeabs.peaks (0.95, 9.31, 126.92 ppm; 4.05 A increased from 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=94, 2.1/6067=88...(12) HG LEU 55 + H LEU 6 OK 78 94 90 92 4.0-4.8 3.0/10371=39...(8) QG2 THR 80 - H LEU 6 far 0 70 0 - 6.7-6.9 QG2 VAL 83 - H LEU 6 far 0 95 0 - 7.5-8.1 QG1 VAL 32 - H LEU 6 far 0 57 0 - 7.7-7.8 HB2 ARG 81 - H LEU 6 far 0 97 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 6063 from nnoeabs.peaks (5.47, 9.31, 126.92 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 6 + H LEU 6 OK 100 100 100 100 2.9-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 6064 from nnoeabs.peaks (1.18, 9.31, 126.92 ppm; 3.94 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 6 + H LEU 6 OK 100 100 100 100 2.4-2.6 4.0=95, 1.8/6065=77...(15) HB2 LEU 29 - H LEU 6 far 0 92 0 - 6.0-6.6 HB2 LEU 57 - H LEU 6 far 0 96 0 - 6.4-7.0 QG2 THR 31 - H LEU 6 far 0 59 0 - 6.8-7.2 HB3 LEU 3 - H LEU 6 far 0 77 0 - 8.5-8.9 Violated in 0 structures by 0.00 A. Peak 6065 from nnoeabs.peaks (1.65, 9.31, 126.92 ppm; 3.85 A increased from 3.62 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 6 + H LEU 6 OK 100 100 100 100 3.6-3.7 4.0=89, 1.8/6064=72...(12) HB3 ARG 79 - H LEU 6 far 0 100 0 - 7.3-9.2 HB3 LYS 53 - H LEU 6 far 0 63 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 6066 from nnoeabs.peaks (1.52, 9.31, 126.92 ppm; 3.69 A): 1 out of 9 assignments used, quality = 0.99: * HG LEU 6 + H LEU 6 OK 99 100 100 99 3.2-3.6 209=67, 3.0/6065=54...(12) HG12 ILE 56 - H LEU 6 far 0 100 0 - 4.3-4.9 HB ILE 7 - H LEU 6 far 0 100 0 - 5.1-5.6 HG LEU 57 - H LEU 6 far 0 87 0 - 5.5-6.1 HG3 ARG 79 - H LEU 6 far 0 99 0 - 6.5-10.5 HG3 ARG 30 - H LEU 6 far 0 100 0 - 7.7-8.8 HG2 ARG 79 - H LEU 6 far 0 99 0 - 7.8-10.2 HB3 GLU 28 - H LEU 6 far 0 61 0 - 9.1-9.7 HB2 LEU 3 - H LEU 6 far 0 81 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 6067 from nnoeabs.peaks (0.69, 9.31, 126.92 ppm; 3.28 A): 1 out of 14 assignments used, quality = 0.54: QG1 VAL 5 + H LEU 6 OK 54 57 100 94 2.1-2.9 3.2/6059=54, 4.1=50...(17) HG13 ILE 56 - H LEU 6 far 0 81 0 - 4.1-4.5 ! QD2 LEU 6 - H LEU 6 far 0 100 0 - 4.1-4.3 QD1 LEU 29 - H LEU 6 far 0 71 0 - 4.6-5.3 QG2 VAL 54 - H LEU 6 far 0 73 0 - 5.0-6.0 QD1 ILE 56 - H LEU 6 far 0 91 0 - 5.3-5.7 QD1 ILE 8 - H LEU 6 far 0 88 0 - 6.1-6.5 QG1 VAL 58 - H LEU 6 far 0 70 0 - 6.7-7.0 QG2 VAL 78 - H LEU 6 far 0 68 0 - 6.8-7.3 QD1 LEU 42 - H LEU 6 far 0 100 0 - 7.9-8.4 QD1 ILE 52 - H LEU 6 far 0 99 0 - 8.3-9.6 QD2 LEU 14 - H LEU 6 far 0 90 0 - 8.4-8.8 QG2 VAL 58 - H LEU 6 far 0 99 0 - 8.4-8.9 QD1 LEU 14 - H LEU 6 far 0 99 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 6068 from nnoeabs.peaks (0.77, 9.31, 126.92 ppm; 3.49 A): 1 out of 18 assignments used, quality = 0.93: QG1 VAL 54 + H LEU 6 OK 93 99 100 94 2.5-3.4 12127/6059=44, 10663=43...(12) QD2 LEU 57 - H LEU 6 far 4 85 5 - 3.1-4.7 ! QD1 LEU 6 - H LEU 6 far 0 100 0 - 3.9-4.3 QG2 ILE 7 - H LEU 6 far 0 81 0 - 5.6-6.0 QG1 VAL 78 - H LEU 6 far 0 85 0 - 6.2-6.9 QD1 ILE 93 - H LEU 6 far 0 100 0 - 6.2-7.1 HG13 ILE 93 - H LEU 6 far 0 82 0 - 6.3-7.6 QD2 LEU 42 - H LEU 6 far 0 100 0 - 6.4-7.0 QG2 ILE 93 - H LEU 6 far 0 92 0 - 6.6-7.2 QD1 LEU 27 - H LEU 6 far 0 100 0 - 7.1-7.4 QG2 ILE 8 - H LEU 6 far 0 96 0 - 8.0-8.4 QG2 ILE 15 - H LEU 6 far 0 59 0 - 8.3-8.9 QD1 LEU 64 - H LEU 6 far 0 79 0 - 8.5-9.2 HG3 ARG 81 - H LEU 6 far 0 75 0 - 8.8-10.4 QG2 ILE 52 - H LEU 6 far 0 99 0 - 9.0-10.0 QD1 ILE 76 - H LEU 6 far 0 77 0 - 9.1-9.8 QD1 ILE 15 - H LEU 6 far 0 99 0 - 9.9-10.6 HG13 ILE 15 - H LEU 6 far 0 96 0 - 9.9-11.3 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 4.0-4.3 4.6=100 H VAL 54 - H LEU 6 far 0 73 0 - 6.9-7.7 H VAL 32 - H LEU 6 far 0 90 0 - 7.3-7.6 H THR 31 - H LEU 6 far 0 61 0 - 7.8-8.1 H LEU 29 - H LEU 6 far 0 100 0 - 8.0-8.3 H LYS 53 - H LEU 6 far 0 99 0 - 9.2-10.0 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 4.0-4.3 4.6=96, 2.9/6072=91...(11) H LYS 33 - H ILE 7 far 0 99 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 6072 from nnoeabs.peaks (5.47, 8.46, 119.78 ppm; 2.85 A): 1 out of 1 assignment used, quality = 0.97: * HA LEU 6 + H ILE 7 OK 97 100 100 97 2.1-2.2 192=70, 3.0/6074=27...(18) Violated in 0 structures by 0.00 A. Peak 6073 from nnoeabs.peaks (1.18, 8.46, 119.78 ppm; 3.77 A): 1 out of 4 assignments used, quality = 0.55: QG2 THR 31 + H ILE 7 OK 55 59 100 93 3.4-3.7 3.2/8251=59...(8) ! HB2 LEU 6 - H ILE 7 far 0 100 0 - 4.4-4.5 HB2 LEU 29 - H ILE 7 far 0 92 0 - 6.0-6.5 HB2 LEU 57 - H ILE 7 far 0 96 0 - 6.3-6.7 Violated in 0 structures by 0.00 A. Peak 6074 from nnoeabs.peaks (1.65, 8.46, 119.78 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 6 + H ILE 7 OK 100 100 100 100 3.4-3.7 4.3=91, 3.0/6072=84...(9) Violated in 0 structures by 0.00 A. Peak 6075 from nnoeabs.peaks (1.52, 8.46, 119.78 ppm; 3.37 A): 1 out of 7 assignments used, quality = 0.99: HB ILE 7 + H ILE 7 OK 99 100 100 99 2.6-2.7 2.1/6080=73, 241=72...(13) ! HG LEU 6 - H ILE 7 far 0 100 0 - 4.8-5.1 HG LEU 57 - H ILE 7 far 0 87 0 - 6.4-6.9 HG3 ARG 30 - H ILE 7 far 0 100 0 - 6.8-7.3 HG12 ILE 56 - H ILE 7 far 0 100 0 - 7.5-8.0 HG3 LYS 33 - H ILE 7 far 0 91 0 - 8.0-8.3 HG2 LYS 33 - H ILE 7 far 0 88 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 6076 from nnoeabs.peaks (0.69, 8.46, 119.78 ppm; 3.47 A): 2 out of 13 assignments used, quality = 0.97: * QD2 LEU 6 + H ILE 7 OK 96 100 100 96 3.2-3.6 218/6072=56, 3.1/6074=41...(9) QG1 VAL 5 + H ILE 7 OK 34 57 85 70 3.5-3.9 6067/6071=35...(9) QD1 LEU 29 - H ILE 7 far 0 71 0 - 3.9-4.3 QD1 ILE 8 - H ILE 7 far 0 88 0 - 5.6-6.0 QD2 LEU 14 - H ILE 7 far 0 90 0 - 6.3-6.7 HG13 ILE 56 - H ILE 7 far 0 81 0 - 6.6-6.8 QG1 VAL 58 - H ILE 7 far 0 70 0 - 6.6-6.9 QD1 ILE 56 - H ILE 7 far 0 91 0 - 7.3-7.6 QG2 VAL 54 - H ILE 7 far 0 73 0 - 7.9-8.7 QD1 LEU 14 - H ILE 7 far 0 99 0 - 8.4-8.9 QG2 VAL 58 - H ILE 7 far 0 99 0 - 8.7-9.0 QD1 LEU 42 - H ILE 7 far 0 100 0 - 9.4-9.8 QG2 VAL 78 - H ILE 7 far 0 68 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 6077 from nnoeabs.peaks (0.77, 8.46, 119.78 ppm; 3.16 A): 1 out of 15 assignments used, quality = 0.77: QG2 ILE 7 + H ILE 7 OK 77 81 100 96 2.2-2.3 2.1/6079=58, 4.0=49...(11) QD2 LEU 57 - H ILE 7 far 0 85 0 - 4.6-6.4 QG2 ILE 15 - H ILE 7 far 0 59 0 - 5.0-5.7 ! QD1 LEU 6 - H ILE 7 far 0 100 0 - 5.1-5.4 QG1 VAL 54 - H ILE 7 far 0 99 0 - 5.7-6.3 HG13 ILE 15 - H ILE 7 far 0 96 0 - 6.0-7.7 QD1 ILE 93 - H ILE 7 far 0 100 0 - 6.0-6.8 QG2 ILE 8 - H ILE 7 far 0 96 0 - 6.2-6.6 QD1 ILE 15 - H ILE 7 far 0 99 0 - 6.5-7.3 QG2 ILE 93 - H ILE 7 far 0 92 0 - 7.5-7.9 HG13 ILE 93 - H ILE 7 far 0 82 0 - 7.6-8.3 QD2 LEU 42 - H ILE 7 far 0 100 0 - 8.7-9.0 QD1 LEU 27 - H ILE 7 far 0 100 0 - 9.1-9.6 QG1 VAL 78 - H ILE 7 far 0 85 0 - 9.2-9.7 QD1 LEU 64 - H ILE 7 far 0 79 0 - 9.9-10.4 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 - 5.6-6.0 HA TYR 4 - H ILE 7 far 0 98 0 - 8.5-9.0 HA VAL 54 - H ILE 7 far 0 81 0 - 8.6-9.1 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 7 assignments used, quality = 0.99: * HB ILE 7 + H ILE 7 OK 99 100 100 99 2.6-2.7 2.1/6080=73, 241=72...(13) HG LEU 6 - H ILE 7 far 0 100 0 - 4.8-5.1 HG LEU 57 - H ILE 7 far 0 91 0 - 6.4-6.9 HG3 ARG 30 - H ILE 7 far 0 99 0 - 6.8-7.3 HG12 ILE 56 - H ILE 7 far 0 99 0 - 7.5-8.0 HG3 LYS 33 - H ILE 7 far 0 94 0 - 8.0-8.3 HG2 LYS 33 - H ILE 7 far 0 84 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 6080 from nnoeabs.peaks (0.80, 8.46, 119.78 ppm; 3.05 A): 1 out of 13 assignments used, quality = 0.96: * QG2 ILE 7 + H ILE 7 OK 96 100 100 96 2.2-2.3 2.1/6079=54, 4.0=44...(11) QG2 VAL 32 - H ILE 7 far 0 71 0 - 4.1-4.4 QD2 LEU 57 - H ILE 7 far 0 100 0 - 4.6-6.4 QG2 ILE 15 - H ILE 7 far 0 99 0 - 5.0-5.7 QD1 LEU 6 - H ILE 7 far 0 81 0 - 5.1-5.4 QD2 LEU 38 - H ILE 7 far 0 87 0 - 5.2-5.6 QG1 VAL 54 - H ILE 7 far 0 63 0 - 5.7-6.3 QD1 ILE 93 - H ILE 7 far 0 79 0 - 6.0-6.8 QG2 ILE 8 - H ILE 7 far 0 98 0 - 6.2-6.6 QD1 ILE 15 - H ILE 7 far 0 59 0 - 6.5-7.3 QD1 LEU 57 - H ILE 7 far 0 79 0 - 6.8-7.4 QD2 LEU 42 - H ILE 7 far 0 73 0 - 8.7-9.0 QD1 LEU 27 - H ILE 7 far 0 77 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 6081 from nnoeabs.peaks (1.42, 8.46, 119.78 ppm; 3.96 A): 1 out of 6 assignments used, quality = 0.84: HG LEU 29 + H ILE 7 OK 84 99 100 85 3.5-3.9 6479/6475=48...(6) ! HG12 ILE 7 - H ILE 7 far 0 100 0 - 4.4-4.6 QB ALA 22 - H ILE 7 far 0 99 0 - 6.4-6.9 HG LEU 38 - H ILE 7 far 0 68 0 - 8.4-9.0 HB2 LEU 38 - H ILE 7 far 0 75 0 - 8.8-10.3 HB2 LEU 27 - H ILE 7 far 0 71 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 6082 from nnoeabs.peaks (0.89, 8.46, 119.78 ppm; 4.77 A increased from 4.01 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 7 + H ILE 7 OK 100 100 100 100 4.5-4.7 4.5=100 HG13 ILE 8 - H ILE 7 far 10 100 10 - 5.0-6.1 QG1 VAL 32 - H ILE 7 far 0 97 0 - 6.0-6.4 QD1 LEU 38 - H ILE 7 far 0 71 0 - 7.1-7.4 Violated in 0 structures by 0.00 A. Peak 6083 from nnoeabs.peaks (0.62, 8.46, 119.78 ppm; 4.10 A increased from 3.86 A): 2 out of 5 assignments used, quality = 0.96: QD2 LEU 29 + H ILE 7 OK 89 90 100 99 3.3-4.4 2.1/6081=74...(10) QD1 LEU 29 + H ILE 7 OK 69 71 100 96 3.9-4.3 2.1/6081=74, 4.6/6475=41...(7) ! QD1 ILE 7 - H ILE 7 far 10 100 10 - 4.2-4.5 QG2 ILE 56 - H ILE 7 far 0 91 0 - 5.2-5.5 QG2 VAL 54 - H ILE 7 far 0 70 0 - 7.9-8.7 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 4.5-4.6 4.7=98, 6087/3.0=93...(11) H ALA 22 - H ILE 7 far 0 94 0 - 9.0-9.5 H ARG 81 - H ILE 7 far 0 59 0 - 9.4-9.8 H SER 59 - H ILE 7 far 0 100 0 - 9.7-10.1 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; 4.69 A increased from 4.42 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 7 + H ILE 8 OK 100 100 100 100 4.5-4.6 4.7=100 H VAL 32 + H ILE 8 OK 22 90 25 98 4.9-5.2 11115/3.0=67, 10517=43...(8) H THR 31 - H ILE 8 far 0 61 0 - 8.4-8.7 H ALA 67 - H ILE 8 far 0 90 0 - 9.6-10.0 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 2.2-2.2 240=77, 3.0/256=30...(18) HA VAL 5 - H ILE 8 far 0 85 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 6088 from nnoeabs.peaks (1.52, 8.80, 128.92 ppm; 4.46 A increased from 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 4.5=100 HG LEU 57 - H ILE 8 far 0 91 0 - 5.9-6.3 HG3 LYS 33 - H ILE 8 far 0 94 0 - 8.2-8.4 HG LEU 6 - H ILE 8 far 0 100 0 - 8.3-8.4 HG12 ILE 56 - H ILE 8 far 0 99 0 - 8.3-8.6 HB2 LEU 14 - H ILE 8 far 0 100 0 - 8.3-9.0 HB3 LEU 64 - H ILE 8 far 0 73 0 - 8.5-8.9 HG2 LYS 33 - H ILE 8 far 0 84 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 6089 from nnoeabs.peaks (0.80, 8.80, 128.92 ppm; 3.69 A increased from 3.28 A): 2 out of 12 assignments used, quality = 1.00: * QG2 ILE 7 + H ILE 8 OK 100 100 100 100 3.4-3.6 256=83, 3.0/6087=70...(11) QG2 ILE 8 + H ILE 8 OK 98 98 100 100 3.8-3.9 4.0=78, 2.1/6094=74...(11) QD2 LEU 57 - H ILE 8 far 0 100 0 - 5.1-5.7 QD1 LEU 57 - H ILE 8 far 0 79 0 - 5.5-5.6 QD2 LEU 38 - H ILE 8 far 0 87 0 - 5.5-5.8 QG2 VAL 32 - H ILE 8 far 0 71 0 - 5.6-5.8 QD1 ILE 15 - H ILE 8 far 0 59 0 - 5.8-6.7 QG2 ILE 15 - H ILE 8 far 0 99 0 - 6.0-6.7 QD1 LEU 6 - H ILE 8 far 0 81 0 - 7.1-7.3 QD1 ILE 93 - H ILE 8 far 0 79 0 - 7.3-7.7 QG1 VAL 54 - H ILE 8 far 0 63 0 - 7.8-8.4 QD1 LEU 70 - H ILE 8 far 0 95 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 6090 from nnoeabs.peaks (1.42, 8.80, 128.92 ppm; 3.87 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 7 + H ILE 8 OK 100 100 100 100 2.6-3.1 1.8/6091=81, 264=69...(14) HG LEU 29 - H ILE 8 far 0 99 0 - 7.5-8.1 HG LEU 38 - H ILE 8 far 0 68 0 - 8.0-8.6 HB2 LEU 38 - H ILE 8 far 0 75 0 - 8.7-10.4 QB ALA 22 - H ILE 8 far 0 99 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 6091 from nnoeabs.peaks (0.89, 8.80, 128.92 ppm; 3.62 A): 1 out of 5 assignments used, quality = 0.90: * HG13 ILE 7 + H ILE 8 OK 90 100 90 100 2.3-4.1 1.8/6090=66, 2.1/6092=53...(15) HG13 ILE 8 - H ILE 8 far 15 100 15 - 2.7-4.4 QG1 VAL 32 - H ILE 8 far 0 97 0 - 5.9-6.3 QD1 LEU 38 - H ILE 8 far 0 71 0 - 7.7-8.2 QD2 LEU 64 - H ILE 8 far 0 75 0 - 9.6-10.0 Violated in 2 structures by 0.05 A. Peak 6092 from nnoeabs.peaks (0.62, 8.80, 128.92 ppm; 4.25 A increased from 4.00 A): 1 out of 4 assignments used, quality = 1.00: * QD1 ILE 7 + H ILE 8 OK 100 100 100 100 2.4-4.1 2.1/6091=85, 2.1/6090=80...(13) QG2 ILE 56 - H ILE 8 poor 18 91 20 - 4.5-4.7 QD1 LEU 29 - H ILE 8 far 0 71 0 - 6.5-7.0 QD2 LEU 29 - H ILE 8 far 0 90 0 - 6.7-7.6 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 - 8.9-9.3 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 4 assignments used, quality = 0.99: * HB ILE 8 + H ILE 8 OK 99 100 100 99 2.6-2.9 289=82, 2.9/6096=50...(11) HB3 LEU 14 - H ILE 8 far 0 100 0 - 7.2-7.9 HB VAL 5 - H ILE 8 far 0 70 0 - 8.7-9.1 HB3 LYS 33 - H ILE 8 far 0 92 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 6095 from nnoeabs.peaks (0.79, 8.80, 128.92 ppm; 3.73 A increased from 3.31 A): 2 out of 12 assignments used, quality = 1.00: * QG2 ILE 8 + H ILE 8 OK 100 100 100 100 3.8-3.9 4.0=80, 2.1/6094=76...(11) QG2 ILE 7 + H ILE 8 OK 98 98 100 100 3.4-3.6 256=83, 3.0/6087=71...(11) QD2 LEU 57 - H ILE 8 far 0 99 0 - 5.1-5.7 HG13 ILE 15 - H ILE 8 far 0 73 0 - 5.3-6.6 QD2 LEU 38 - H ILE 8 far 0 65 0 - 5.5-5.8 QD1 ILE 15 - H ILE 8 far 0 82 0 - 5.8-6.7 QG2 ILE 15 - H ILE 8 far 0 88 0 - 6.0-6.7 QD1 LEU 6 - H ILE 8 far 0 96 0 - 7.1-7.3 QD1 ILE 93 - H ILE 8 far 0 95 0 - 7.3-7.7 QG1 VAL 54 - H ILE 8 far 0 85 0 - 7.8-8.4 QD1 LEU 70 - H ILE 8 far 0 79 0 - 9.5-10.4 QG2 ILE 93 - H ILE 8 far 0 65 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 6096 from nnoeabs.peaks (1.36, 8.80, 128.92 ppm; 3.65 A): 1 out of 6 assignments used, quality = 0.99: * HG12 ILE 8 + H ILE 8 OK 99 100 100 99 3.0-3.5 305=69, 2.9/6094=61...(13) QB ALA 89 - H ILE 8 far 0 87 0 - 5.8-6.3 QB ALA 67 - H ILE 8 far 0 84 0 - 6.4-6.7 HG LEU 14 - H ILE 8 far 0 98 0 - 6.6-7.1 HB3 ARG 30 - H ILE 8 far 0 99 0 - 9.1-9.5 HB2 LYS 82 - H ILE 8 far 0 92 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 6097 from nnoeabs.peaks (0.89, 8.80, 128.92 ppm; 3.62 A): 1 out of 5 assignments used, quality = 0.90: HG13 ILE 7 + H ILE 8 OK 90 100 90 100 2.3-4.1 1.8/6090=66, 2.1/6092=53...(15) ! HG13 ILE 8 - H ILE 8 far 15 100 15 - 2.7-4.4 QG1 VAL 32 - H ILE 8 far 0 92 0 - 5.9-6.3 QD1 LEU 38 - H ILE 8 far 0 82 0 - 7.7-8.2 QD2 LEU 64 - H ILE 8 far 0 85 0 - 9.6-10.0 Violated in 2 structures by 0.05 A. Peak 6098 from nnoeabs.peaks (0.71, 8.80, 128.92 ppm; 4.22 A increased from 3.55 A): 3 out of 13 assignments used, quality = 1.00: * QD1 ILE 8 + H ILE 8 OK 100 100 100 100 4.0-4.3 321=85, 2.1/6096=84...(11) QD2 LEU 14 + H ILE 8 OK 98 100 100 98 4.0-4.5 10272/6092=59...(10) QG1 VAL 58 + H ILE 8 OK 98 99 100 99 3.8-4.2 10224/6094=66...(12) QG2 VAL 58 - H ILE 8 far 0 70 0 - 5.6-5.8 QG1 VAL 5 - H ILE 8 far 0 95 0 - 5.8-6.1 QD1 LEU 14 - H ILE 8 far 0 73 0 - 5.9-6.3 QD2 LEU 6 - H ILE 8 far 0 88 0 - 6.4-6.6 HG13 ILE 56 - H ILE 8 far 0 100 0 - 7.3-7.6 QD1 ILE 56 - H ILE 8 far 0 100 0 - 7.4-7.6 QD1 LEU 64 - H ILE 8 far 0 73 0 - 7.6-8.0 HG3 ARG 81 - H ILE 8 far 0 77 0 - 8.3-11.1 HG13 ILE 93 - H ILE 8 far 0 70 0 - 8.9-9.3 QG2 VAL 78 - H ILE 8 far 0 98 0 - 9.9-10.2 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 4.0-4.0 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 4.0-4.0 3.0/6102=87, 4.6=73...(15) H SER 59 - H SER 9 far 0 100 0 - 6.4-6.9 Violated in 0 structures by 0.00 A. Peak 6102 from nnoeabs.peaks (4.61, 7.81, 116.36 ppm; 2.67 A): 1 out of 3 assignments used, quality = 0.90: * HA ILE 8 + H SER 9 OK 90 100 100 90 2.2-2.2 288=46, 3.2/6104=32...(17) HA ASP 11 - H SER 9 far 0 96 0 - 7.8-7.9 HA THR 84 - H SER 9 far 0 73 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 6103 from nnoeabs.peaks (1.90, 7.81, 116.36 ppm; 4.51 A increased from 4.24 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 8 + H SER 9 OK 100 100 100 100 4.3-4.5 4.4=100 HB3 LYS 33 - H SER 9 far 0 92 0 - 6.1-6.5 HB3 LEU 14 - H SER 9 far 0 100 0 - 6.3-6.9 HB2 LYS 33 - H SER 9 far 0 90 0 - 7.2-7.6 HB3 LYS 12 - H SER 9 far 0 79 0 - 9.8-10.3 HB2 LYS 12 - H SER 9 far 0 75 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 6104 from nnoeabs.peaks (0.79, 7.81, 116.36 ppm; 3.24 A increased from 3.05 A): 1 out of 9 assignments used, quality = 0.95: * QG2 ILE 8 + H SER 9 OK 95 100 100 95 3.1-3.2 304=56, 3.2/6102=56...(10) QD1 ILE 15 - H SER 9 far 8 82 10 - 3.1-4.2 QG2 ILE 7 - H SER 9 far 5 98 5 - 3.5-3.7 HG13 ILE 15 - H SER 9 far 0 73 0 - 3.8-4.9 QG2 ILE 15 - H SER 9 far 0 88 0 - 5.0-5.6 QD2 LEU 38 - H SER 9 far 0 65 0 - 6.6-7.1 QD2 LEU 57 - H SER 9 far 0 99 0 - 8.3-9.0 QD1 LEU 6 - H SER 9 far 0 96 0 - 8.8-9.1 QD1 ILE 93 - H SER 9 far 0 95 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 6105 from nnoeabs.peaks (1.36, 7.81, 116.36 ppm; 5.09 A increased from 4.52 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 8 + H SER 9 OK 100 100 100 100 4.8-5.1 3.1/6104=93, 4.1/6102=87...(11) HG LEU 14 - H SER 9 far 0 98 0 - 7.4-7.7 QB ALA 89 - H SER 9 far 0 87 0 - 7.8-8.3 QB ALA 67 - H SER 9 far 0 84 0 - 8.5-8.8 Violated in 2 structures by 0.00 A. Peak 6106 from nnoeabs.peaks (0.89, 7.81, 116.36 ppm; 4.32 A increased from 3.84 A): 2 out of 4 assignments used, quality = 0.98: HG13 ILE 7 + H SER 9 OK 89 100 90 99 4.0-5.8 6097/6101=57...(10) * HG13 ILE 8 + H SER 9 OK 80 100 80 100 4.4-5.4 3.1/6104=79, 4.1/6102=70...(11) QG1 VAL 32 - H SER 9 far 0 92 0 - 5.4-6.0 QD1 LEU 38 - H SER 9 far 0 82 0 - 9.2-9.7 Violated in 2 structures by 0.00 A. Peak 6107 from nnoeabs.peaks (0.71, 7.81, 116.36 ppm; 4.54 A increased from 4.03 A): 1 out of 8 assignments used, quality = 1.00: QD2 LEU 14 + H SER 9 OK 100 100 100 100 4.3-4.5 8317/2.9=69...(12) ! QD1 ILE 8 - H SER 9 far 0 100 0 - 5.4-5.4 QG1 VAL 58 - H SER 9 far 0 99 0 - 6.0-6.4 QD1 LEU 14 - H SER 9 far 0 73 0 - 6.5-6.8 QD2 LEU 6 - H SER 9 far 0 88 0 - 7.5-7.7 QG2 VAL 58 - H SER 9 far 0 70 0 - 7.5-8.0 QG1 VAL 5 - H SER 9 far 0 95 0 - 8.5-8.7 QD1 ILE 56 - H SER 9 far 0 100 0 - 9.8-10.0 Violated in 0 structures by 0.00 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 - 6.3-6.6 Violated in 0 structures by 0.00 A. Peak 6109 from nnoeabs.peaks (2.99, 7.81, 116.36 ppm; 3.66 A): 1 out of 6 assignments used, quality = 0.98: * HB2 SER 9 + H SER 9 OK 98 100 100 98 3.1-3.3 4.0=74, 1.8/6110=65...(11) HE2 LYS 33 - H SER 9 far 0 79 0 - 4.7-7.6 HE3 LYS 33 - H SER 9 far 0 79 0 - 5.3-8.5 HB3 ASP 11 - H SER 9 far 0 100 0 - 7.5-8.5 HE2 LYS 12 - H SER 9 far 0 96 0 - 7.6-10.3 HE3 LYS 12 - H SER 9 far 0 84 0 - 7.9-10.8 Violated in 0 structures by 0.00 A. Peak 6110 from nnoeabs.peaks (3.92, 7.81, 116.36 ppm; 3.99 A): 1 out of 3 assignments used, quality = 1.00: * HB3 SER 9 + H SER 9 OK 100 100 100 100 3.2-3.3 4.0=95, 1.8/6109=83...(10) HA GLU 63 - H SER 9 far 0 98 0 - 9.2-9.5 HA GLU 35 - H SER 9 far 0 59 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 6111 from nnoeabs.peaks (8.64, 7.81, 116.36 ppm; 4.68 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 10 + H SER 9 OK 100 100 100 100 4.4-4.4 4.6=100 H ASP 11 - H SER 9 far 0 73 0 - 5.1-5.5 H ALA 18 - H SER 9 far 0 97 0 - 9.2-9.7 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 4.4-4.4 4.6=100 H LYS 20 + H ALA 18 OK 73 74 100 99 4.1-4.6 6296=80, 6298/6281=73...(10) H SER 9 - H ALA 18 far 0 85 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 6114 from nnoeabs.peaks (4.43, 8.64, 122.61 ppm; 3.19 A): 1 out of 4 assignments used, quality = 0.96: * HA SER 9 + H ASN 10 OK 96 100 100 96 2.4-2.6 333=79, 3.0/6115=36...(9) HA MET 21 - H ALA 18 far 0 75 0 - 7.2-7.8 HB THR 84 - H ASN 10 far 0 99 0 - 9.6-10.4 HA SER 9 - H ALA 18 far 0 85 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 6115 from nnoeabs.peaks (2.99, 8.64, 122.61 ppm; 4.05 A): 1 out of 15 assignments used, quality = 1.00: * HB2 SER 9 + H ASN 10 OK 100 100 100 100 2.9-3.9 3.0/6114=74, 4.6=69...(13) HB3 ASP 11 - H ASN 10 far 0 100 0 - 4.6-5.4 HE2 LYS 33 - H ASN 10 far 0 79 0 - 6.3-9.8 HE3 LYS 12 - H ASN 10 far 0 84 0 - 6.8-10.3 HE3 LYS 33 - H ASN 10 far 0 79 0 - 7.2-10.6 HE3 LYS 12 - H ALA 18 far 0 65 0 - 7.3-12.4 HE2 LYS 12 - H ASN 10 far 0 96 0 - 7.4-10.2 HB2 SER 9 - H ALA 18 far 0 85 0 - 7.5-8.3 HE2 LYS 13 - H ALA 18 far 0 57 0 - 8.1-12.4 HB3 ASP 11 - H ALA 18 far 0 84 0 - 8.2-8.9 HE3 LYS 13 - H ALA 18 far 0 54 0 - 8.4-12.3 HE2 LYS 12 - H ALA 18 far 0 77 0 - 8.7-12.2 HE3 LYS 24 - H ALA 18 far 0 60 0 - 9.1-14.1 HE3 LYS 13 - H ASN 10 far 0 71 0 - 9.6-13.2 HE2 LYS 24 - H ALA 18 far 0 60 0 - 9.8-13.8 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 3 assignments used, quality = 1.00: * HB3 SER 9 + H ASN 10 OK 100 100 100 100 2.7-3.9 4.6=92, 1.8/6115=87...(11) HA ALA 89 - H ALA 18 far 0 66 0 - 6.8-7.2 HB3 SER 9 - H ALA 18 far 0 85 0 - 7.3-8.4 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 1 assignment used, quality = 1.00: * HA ASN 10 + H ASN 10 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 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 2.4-3.0 4.0=87, 1.8/6119=78...(8) HE2 LYS 20 - H ALA 18 far 0 77 0 - 4.5-7.9 HG2 MET 21 - H ALA 18 far 0 80 0 - 5.6-7.1 HE3 LYS 90 - H ALA 18 far 0 83 0 - 5.7-7.2 HE3 LYS 20 - H ALA 18 far 0 78 0 - 5.7-8.0 HE3 LYS 12 - H ASN 10 far 0 63 0 - 6.8-10.3 HE3 LYS 12 - H ALA 18 far 0 47 0 - 7.3-12.4 HE2 LYS 13 - H ALA 18 far 0 55 0 - 8.1-12.4 HE3 LYS 13 - H ALA 18 far 0 59 0 - 8.4-12.3 HB2 ASN 60 - H ASN 10 far 0 65 0 - 8.9-9.9 HE3 LYS 24 - H ALA 18 far 0 52 0 - 9.1-14.1 HE3 LYS 13 - H ASN 10 far 0 77 0 - 9.6-13.2 HE2 LYS 24 - H ALA 18 far 0 52 0 - 9.8-13.8 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 2.6-3.6 4.0=78, 1.8/6118=70...(8) Violated in 0 structures by 0.00 A. Peak 6121 from nnoeabs.peaks (7.61, 8.64, 122.61 ppm; 5.30 A): 1 out of 3 assignments used, quality = 1.00: * HD22 ASN 10 + H ASN 10 OK 100 100 100 100 3.6-5.2 3.5/6119=87, 3.5/6118=85...(4) H GLU 88 - H ALA 18 far 0 52 0 - 8.3-9.0 H LYS 24 - H ALA 18 far 0 55 0 - 9.4-9.6 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; 6.35 A increased from 5.65 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 10 + HD21 ASN 10 OK 100 100 100 100 4.8-6.1 5.6=100 H ASP 11 + HD21 ASN 10 OK 51 73 70 99 6.3-6.8 6138/3.5=64, 6141/1.7=61...(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 3.4-4.5 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 3.4-4.1 3.5=100 HE3 LYS 12 - HD21 ASN 10 far 0 63 0 - 6.6-11.8 HB2 ASN 60 - HD21 ASN 10 far 0 65 0 - 8.8-13.1 Violated in 0 structures by 0.00 A. Peak 6127 from nnoeabs.peaks (2.75, 6.98, 113.40 ppm; 4.00 A increased from 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 10 + HD21 ASN 10 OK 100 100 100 100 3.4-4.0 3.5=100 Violated in 0 structures by 0.00 A. Peak 6128 from nnoeabs.peaks (7.61, 6.98, 113.40 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 10 + HD21 ASN 10 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 6129 from nnoeabs.peaks (7.61, 7.61, 113.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 10 + HD22 ASN 10 OK 100 100 - 100 Peak 6130 from nnoeabs.peaks (8.64, 7.61, 113.40 ppm; 5.83 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 10 + HD22 ASN 10 OK 100 100 100 100 3.6-5.2 5.6=100 H ASP 11 + HD22 ASN 10 OK 73 73 100 99 5.2-6.0 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 2.3-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 6132 from nnoeabs.peaks (2.93, 7.61, 113.40 ppm; 3.99 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 10 + HD22 ASN 10 OK 100 100 100 100 2.1-3.5 3.5=100 HE3 LYS 12 - HD22 ASN 10 far 0 63 0 - 6.0-12.0 HB2 ASN 60 - HD22 ASN 10 far 0 65 0 - 8.5-12.3 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 2.1-3.3 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 1 assignment used, quality = 1.00: * HA ASN 10 + H ASP 11 OK 100 100 100 100 3.2-3.4 3.6=100 Violated in 0 structures by 0.00 A. Peak 6138 from nnoeabs.peaks (2.93, 8.67, 122.72 ppm; 3.60 A): 1 out of 13 assignments used, quality = 0.96: * HB2 ASN 10 + H ASP 11 OK 96 100 100 96 3.0-3.7 1.8/6139=51, 4.6=47...(10) HE2 LYS 20 - H ALA 18 far 0 57 0 - 4.5-7.9 HG2 MET 21 - H ALA 18 far 0 60 0 - 5.6-7.1 HE3 LYS 12 - H ASP 11 far 0 63 0 - 5.6-9.3 HE3 LYS 90 - H ALA 18 far 0 62 0 - 5.7-7.2 HE3 LYS 20 - H ALA 18 far 0 58 0 - 5.7-8.0 HE3 LYS 12 - H ALA 18 far 0 33 0 - 7.3-12.4 HE3 LYS 13 - H ASP 11 far 0 77 0 - 7.8-11.3 HE2 LYS 13 - H ALA 18 far 0 40 0 - 8.1-12.4 HE3 LYS 13 - H ALA 18 far 0 42 0 - 8.4-12.3 HE2 LYS 13 - H ASP 11 far 0 73 0 - 8.9-11.5 HE3 LYS 24 - H ALA 18 far 0 37 0 - 9.1-14.1 HE2 LYS 24 - H ALA 18 far 0 37 0 - 9.8-13.8 Violated in 2 structures by 0.00 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 3.9-4.0 1.8/6138=94, 4.6=87...(10) Violated in 0 structures by 0.00 A. Peak 6141 from nnoeabs.peaks (7.61, 8.67, 122.72 ppm; 5.80 A): 1 out of 3 assignments used, quality = 1.00: * HD22 ASN 10 + H ASP 11 OK 100 100 100 100 5.2-6.0 3.5/6138=95, 3.5/6139=86...(6) H GLU 88 - H ALA 18 far 0 37 0 - 8.3-9.0 H LYS 24 - H ALA 18 far 0 40 0 - 9.4-9.6 Violated in 3 structures by 0.02 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 - 7.2-7.6 HA THR 84 - H ASP 11 far 0 95 0 - 8.4-9.1 HA ILE 8 - H ALA 18 far 0 58 0 - 9.9-10.4 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 = 0.96: * HB2 ASP 11 + H ASP 11 OK 96 100 100 96 2.2-2.4 4.0=56, 1.8/6144=39...(12) HG3 GLU 17 - H ALA 18 far 0 64 0 - 4.5-5.1 HB3 MET 21 - H ALA 18 far 0 38 0 - 6.2-6.9 HG3 MET 21 - H ALA 18 far 0 40 0 - 6.2-7.0 HB2 ASP 11 - H ALA 18 far 0 64 0 - 8.8-10.0 HG3 GLU 17 - H ASP 11 far 0 100 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 6144 from nnoeabs.peaks (2.99, 8.67, 122.72 ppm; 3.52 A increased from 3.13 A): 2 out of 16 assignments used, quality = 0.99: * HB3 ASP 11 + H ASP 11 OK 98 100 100 98 2.8-3.6 1.8/6143=78, 4.0=69...(10) HB2 SER 9 + H ASP 11 OK 62 100 65 95 2.9-4.5 2.8/8372=53...(11) HE3 LYS 12 - H ASP 11 far 0 79 0 - 5.6-9.3 HE2 LYS 12 - H ASP 11 far 0 98 0 - 5.9-9.2 HE2 LYS 33 - H ASP 11 far 0 84 0 - 7.1-9.8 HE3 LYS 12 - H ALA 18 far 0 43 0 - 7.3-12.4 HE3 LYS 33 - H ASP 11 far 0 84 0 - 7.4-10.8 HB2 SER 9 - H ALA 18 far 0 64 0 - 7.5-8.3 HE3 LYS 13 - H ASP 11 far 0 65 0 - 7.8-11.3 HE2 LYS 13 - H ALA 18 far 0 37 0 - 8.1-12.4 HB3 ASP 11 - H ALA 18 far 0 64 0 - 8.2-8.9 HE3 LYS 13 - H ALA 18 far 0 35 0 - 8.4-12.3 HE2 LYS 12 - H ALA 18 far 0 59 0 - 8.7-12.2 HE2 LYS 13 - H ASP 11 far 0 70 0 - 8.9-11.5 HE3 LYS 24 - H ALA 18 far 0 40 0 - 9.1-14.1 HE2 LYS 24 - H ALA 18 far 0 40 0 - 9.8-13.8 Violated in 0 structures by 0.00 A. Peak 6145 from nnoeabs.peaks (8.56, 8.67, 122.72 ppm; 4.63 A increased from 3.89 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 12 + H ASP 11 OK 100 100 100 100 4.2-4.4 4.7=98, 369/3.0=91...(9) H LYS 12 - H ALA 18 far 0 64 0 - 9.4-9.7 Violated in 0 structures by 0.00 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): 1 out of 3 assignments used, quality = 1.00: * H ASP 11 + H LYS 12 OK 100 100 100 100 4.2-4.4 4.7=100 H ASN 10 - H LYS 12 far 0 73 0 - 6.0-6.2 H ALA 18 - H LYS 12 far 0 94 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 6148 from nnoeabs.peaks (4.60, 8.56, 125.74 ppm; 3.05 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 11 + H LYS 12 OK 100 100 100 100 2.1-2.2 369=100, 3.0/6145=26...(9) Violated in 0 structures by 0.00 A. Peak 6149 from nnoeabs.peaks (2.43, 8.56, 125.74 ppm; 4.86 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 11 + H LYS 12 OK 100 100 100 100 4.4-4.6 4.5=100 HG3 GLU 17 - H LYS 12 far 0 100 0 - 8.8-11.3 Violated in 0 structures by 0.00 A. Peak 6150 from nnoeabs.peaks (2.99, 8.56, 125.74 ppm; 5.27 A): 3 out of 8 assignments used, quality = 1.00: * HB3 ASP 11 + H LYS 12 OK 100 100 100 100 3.5-4.1 4.5=100 HE2 LYS 12 + H LYS 12 OK 93 98 95 100 1.9-6.0 464/6155=78, 463/415=75...(16) HE3 LYS 12 + H LYS 12 OK 55 79 70 100 1.9-6.5 4.0/6155=77, 4.8/6153=74...(16) HE3 LYS 13 - H LYS 12 far 3 65 5 - 5.3-8.7 HE2 LYS 13 - H LYS 12 far 0 70 0 - 5.9-8.8 HB2 SER 9 - H LYS 12 far 0 100 0 - 6.1-8.0 HE2 LYS 33 - H LYS 12 far 0 84 0 - 7.9-10.3 HE3 LYS 33 - H LYS 12 far 0 84 0 - 7.9-11.3 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 2.8-2.8 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): 1 out of 3 assignments used, quality = 0.98: HB3 LYS 12 + H LYS 12 OK 98 100 100 98 2.2-2.4 4.0=50, 6165/6163=42...(15) ! HB2 LYS 12 - H LYS 12 far 0 100 0 - 3.5-3.6 HB3 LEU 14 - H LYS 12 far 0 61 0 - 5.6-5.9 Violated in 0 structures by 0.00 A. Peak 6153 from nnoeabs.peaks (1.87, 8.56, 125.74 ppm; 3.16 A): 1 out of 3 assignments used, quality = 0.98: * HB3 LYS 12 + H LYS 12 OK 98 100 100 98 2.2-2.4 4.0=50, 6166/6163=42...(15) HB2 LYS 12 - H LYS 12 far 0 100 0 - 3.5-3.6 HB3 LEU 14 - H LYS 12 far 0 65 0 - 5.6-5.9 Violated in 0 structures by 0.00 A. Peak 6154 from nnoeabs.peaks (1.45, 8.56, 125.74 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 12 + H LYS 12 OK 100 100 100 100 2.5-3.9 415=100, 1.8/6155=83...(18) HG2 LYS 13 - H LYS 12 far 0 96 0 - 5.3-6.1 Violated in 0 structures by 0.00 A. Peak 6155 from nnoeabs.peaks (1.59, 8.56, 125.74 ppm; 3.97 A increased from 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 12 + H LYS 12 OK 100 100 100 100 3.5-3.9 426=88, 3.0/6153=74...(19) HG2 ARG 19 - H LYS 12 far 0 99 0 - 9.0-11.8 Violated in 0 structures by 0.00 A. Peak 6156 from nnoeabs.peaks (1.70, 8.56, 125.74 ppm; 4.51 A): 2 out of 9 assignments used, quality = 0.97: HD3 LYS 12 + H LYS 12 OK 95 100 95 100 2.0-5.0 3.6/6153=77, 3.0/6155=73...(21) * HD2 LYS 12 + H LYS 12 OK 50 100 50 100 2.1-5.3 3.6/6153=77, 3.0/6155=73...(21) HB ILE 15 - H LYS 12 far 8 79 10 - 4.8-5.3 HG12 ILE 15 - H LYS 12 far 0 100 0 - 5.4-6.9 HD2 LYS 13 - H LYS 12 far 0 100 0 - 6.0-7.7 HD3 LYS 13 - H LYS 12 far 0 100 0 - 6.1-7.7 HD3 LYS 33 - H LYS 12 far 0 87 0 - 8.4-10.3 HG2 PRO 86 - H LYS 12 far 0 99 0 - 9.4-11.3 HD2 LYS 33 - H LYS 12 far 0 87 0 - 9.8-11.1 Violated in 1 structures by 0.00 A. Peak 6157 from nnoeabs.peaks (1.70, 8.56, 125.74 ppm; 4.51 A): 2 out of 9 assignments used, quality = 0.97: * HD3 LYS 12 + H LYS 12 OK 95 100 95 100 2.0-5.0 3.6/6153=77, 3.0/6155=73...(21) HD2 LYS 12 + H LYS 12 OK 50 100 50 100 2.1-5.3 3.6/6153=77, 3.0/6155=73...(21) HB ILE 15 - H LYS 12 far 8 79 10 - 4.8-5.3 HG12 ILE 15 - H LYS 12 far 0 100 0 - 5.4-6.9 HD2 LYS 13 - H LYS 12 far 0 100 0 - 6.0-7.7 HD3 LYS 13 - H LYS 12 far 0 100 0 - 6.1-7.7 HD3 LYS 33 - H LYS 12 far 0 87 0 - 8.4-10.3 HG2 PRO 86 - H LYS 12 far 0 99 0 - 9.4-11.3 HD2 LYS 33 - H LYS 12 far 0 87 0 - 9.8-11.1 Violated in 1 structures by 0.00 A. Peak 6158 from nnoeabs.peaks (3.01, 8.56, 125.74 ppm; 5.25 A): 2 out of 5 assignments used, quality = 1.00: HB3 ASP 11 + H LYS 12 OK 98 98 100 100 3.5-4.1 4.5=100 * HE2 LYS 12 + H LYS 12 OK 95 100 95 100 1.9-6.0 464/6155=80, 463/415=77...(16) HB2 SER 9 - H LYS 12 far 0 96 0 - 6.1-8.0 HE2 LYS 33 - H LYS 12 far 0 98 0 - 7.9-10.3 HE3 LYS 33 - H LYS 12 far 0 98 0 - 7.9-11.3 Violated in 0 structures by 0.00 A. Peak 6159 from nnoeabs.peaks (2.96, 8.56, 125.74 ppm; 5.67 A): 2 out of 6 assignments used, quality = 0.97: * HE3 LYS 12 + H LYS 12 OK 85 100 85 100 1.9-6.5 4.0/6155=84, 4.8/6152=82...(16) HB3 ASP 11 + H LYS 12 OK 79 79 100 100 3.5-4.1 4.5=100 HB2 ASN 10 - H LYS 12 poor 16 63 25 - 5.7-6.9 HE3 LYS 13 - H LYS 12 far 10 100 10 - 5.3-8.7 HE2 LYS 13 - H LYS 12 far 5 100 5 - 5.9-8.8 HB2 SER 9 - H LYS 12 far 0 84 0 - 6.1-8.0 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 2.6-2.8 6163=100, 6165/6152=62...(13) H ILE 15 - H LYS 12 far 0 100 0 - 4.7-5.0 H GLU 17 - H LYS 12 far 0 98 0 - 7.9-8.4 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 4.4-4.7 6185=100, 6182/6163=98...(8) 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 2.6-2.8 6160=81, 6153/6166=55...(13) 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 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 6165 from nnoeabs.peaks (1.86, 8.07, 119.60 ppm; 3.21 A increased from 3.02 A): 1 out of 3 assignments used, quality = 0.89: HB3 LYS 12 + H LYS 13 OK 89 100 100 89 2.8-3.2 1691=47, 6152/6163=44...(10) ! HB2 LYS 12 - H LYS 13 far 10 100 10 - 3.4-3.7 HB3 LEU 14 - H LYS 13 far 0 61 0 - 4.7-5.0 Violated in 0 structures by 0.00 A. Peak 6166 from nnoeabs.peaks (1.87, 8.07, 119.60 ppm; 3.21 A increased from 3.02 A): 1 out of 3 assignments used, quality = 0.89: * HB3 LYS 12 + H LYS 13 OK 89 100 100 89 2.8-3.2 1691=47, 6153/6163=44...(10) HB2 LYS 12 - H LYS 13 far 10 100 10 - 3.4-3.7 HB3 LEU 14 - H LYS 13 far 0 65 0 - 4.7-5.0 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 3.0-3.8 517=94, 3.0/6175=77...(21) ! HG2 LYS 12 - H LYS 13 far 0 100 0 - 4.6-5.3 Violated in 0 structures by 0.00 A. Peak 6168 from nnoeabs.peaks (1.59, 8.07, 119.60 ppm; 5.39 A increased from 5.07 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 12 + H LYS 13 OK 100 100 100 100 5.0-5.4 3.0/6165=98...(7) HG2 ARG 19 - H LYS 13 far 0 99 0 - 8.3-11.5 Violated in 2 structures by 0.00 A. Peak 6169 from nnoeabs.peaks (1.70, 8.07, 119.60 ppm; 5.02 A increased from 4.02 A): 5 out of 11 assignments used, quality = 1.00: HD2 LYS 13 + H LYS 13 OK 100 100 100 100 3.6-5.2 3.6/6175=92, 3.0/6177=89...(30) HD3 LYS 13 + H LYS 13 OK 100 100 100 100 4.0-5.2 3.6/6175=92, 3.0/6177=89...(30) HB ILE 15 + H LYS 13 OK 72 79 100 91 4.8-5.1 3.2/8384=64, 644/3.6=59 HD3 LYS 12 + H LYS 13 OK 55 100 55 99 4.5-5.6 3.6/6166=87, 3.0/6168=61...(8) * HD2 LYS 12 + H LYS 13 OK 40 100 40 99 4.7-6.6 3.6/6165=87, 3.0/6168=61...(8) HG12 ILE 15 - H LYS 13 far 0 100 0 - 5.5-7.2 HG2 PRO 86 - H LYS 13 far 0 99 0 - 7.0-8.8 HD2 LYS 20 - H LYS 13 far 0 88 0 - 8.6-9.8 HD3 LYS 20 - H LYS 13 far 0 84 0 - 9.2-11.1 HG3 LYS 20 - H LYS 13 far 0 84 0 - 9.6-12.0 HD3 LYS 90 - H LYS 13 far 0 100 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 6170 from nnoeabs.peaks (1.70, 8.07, 119.60 ppm; 5.02 A increased from 4.02 A): 5 out of 11 assignments used, quality = 1.00: HD2 LYS 13 + H LYS 13 OK 100 100 100 100 3.6-5.2 3.6/6175=92, 3.0/6177=89...(30) HD3 LYS 13 + H LYS 13 OK 100 100 100 100 4.0-5.2 3.6/6175=92, 3.0/6177=89...(30) HB ILE 15 + H LYS 13 OK 72 79 100 91 4.8-5.1 3.2/8384=64, 644/3.6=59 * HD3 LYS 12 + H LYS 13 OK 55 100 55 99 4.5-5.6 3.6/6166=87, 3.0/6168=61...(8) HD2 LYS 12 + H LYS 13 OK 40 100 40 99 4.7-6.6 3.6/6165=87, 3.0/6168=61...(8) HG12 ILE 15 - H LYS 13 far 0 100 0 - 5.5-7.2 HG2 PRO 86 - H LYS 13 far 0 99 0 - 7.0-8.8 HD2 LYS 20 - H LYS 13 far 0 88 0 - 8.6-9.8 HD3 LYS 20 - H LYS 13 far 0 84 0 - 9.2-11.1 HG3 LYS 20 - H LYS 13 far 0 84 0 - 9.6-12.0 HD3 LYS 90 - H LYS 13 far 0 100 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 6171 from nnoeabs.peaks (3.01, 8.07, 119.60 ppm; 5.47 A): 1 out of 4 assignments used, quality = 0.98: HB3 ASP 11 + H LYS 13 OK 98 98 100 100 2.7-3.5 12269/6182=85...(11) ! HE2 LYS 12 - H LYS 13 far 10 100 10 - 4.1-7.5 HB2 SER 9 - H LYS 13 far 0 96 0 - 6.6-8.5 HE3 LYS 33 - H LYS 13 far 0 98 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 6172 from nnoeabs.peaks (2.96, 8.07, 119.60 ppm; 5.33 A): 3 out of 6 assignments used, quality = 0.98: HB3 ASP 11 + H LYS 13 OK 79 79 100 100 2.7-3.5 6195/6182=81...(11) HE3 LYS 13 + H LYS 13 OK 75 100 75 100 3.6-6.2 3.8/6177=83, 3.8/6176=81...(24) HE2 LYS 13 + H LYS 13 OK 55 100 55 100 4.4-6.5 3.8/6177=83, 3.8/6176=81...(24) ! HE3 LYS 12 - H LYS 13 far 15 100 15 - 4.2-7.7 HB2 SER 9 - H LYS 13 far 0 84 0 - 6.6-8.5 HB2 ASN 10 - H LYS 13 far 0 63 0 - 7.6-8.6 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): 1 out of 5 assignments used, quality = 0.98: * HB2 LYS 13 + H LYS 13 OK 98 100 100 98 2.2-2.6 495=82, 3.0/6177=32...(20) HB3 LYS 13 - H LYS 13 far 0 100 0 - 3.5-3.6 HB3 LEU 14 - H LYS 13 far 0 97 0 - 4.7-5.0 HB2 GLU 17 - H LYS 13 far 0 85 0 - 8.6-9.3 HB3 ARG 19 - H LYS 13 far 0 98 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 6175 from nnoeabs.peaks (1.91, 8.07, 119.60 ppm; 2.82 A): 1 out of 5 assignments used, quality = 0.98: HB2 LYS 13 + H LYS 13 OK 98 100 100 98 2.2-2.6 506=82, 3.0/6177=32...(20) ! HB3 LYS 13 - H LYS 13 far 0 100 0 - 3.5-3.6 HB3 LEU 14 - H LYS 13 far 0 98 0 - 4.7-5.0 HB2 GLU 17 - H LYS 13 far 0 82 0 - 8.6-9.3 HB3 ARG 19 - H LYS 13 far 0 96 0 - 9.3-9.9 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 3.0-3.8 517=99, 3.0/6175=77...(21) HG2 LYS 12 - H LYS 13 far 0 96 0 - 4.6-5.3 Violated in 0 structures by 0.00 A. Peak 6177 from nnoeabs.peaks (1.50, 8.07, 119.60 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 13 + H LYS 13 OK 100 100 100 100 2.0-2.8 3.0/6175=72, 1.8/517=69...(21) HB2 LEU 14 - H LYS 13 far 0 85 0 - 5.2-5.5 Violated in 0 structures by 0.00 A. Peak 6178 from nnoeabs.peaks (1.70, 8.07, 119.60 ppm; 5.02 A increased from 4.02 A): 5 out of 11 assignments used, quality = 1.00: * HD2 LYS 13 + H LYS 13 OK 100 100 100 100 3.6-5.2 3.6/6175=92, 3.0/6177=89...(30) HD3 LYS 13 + H LYS 13 OK 100 100 100 100 4.0-5.2 3.6/6175=92, 3.0/6177=89...(30) HB ILE 15 + H LYS 13 OK 72 79 100 91 4.8-5.1 3.2/8384=64, 644/3.6=59 HD3 LYS 12 + H LYS 13 OK 55 100 55 99 4.5-5.6 3.6/6166=87, 3.0/6168=61...(8) HD2 LYS 12 + H LYS 13 OK 40 100 40 99 4.7-6.6 3.6/6165=87, 3.0/6168=61...(8) HG12 ILE 15 - H LYS 13 far 0 100 0 - 5.5-7.2 HG2 PRO 86 - H LYS 13 far 0 99 0 - 7.0-8.8 HD2 LYS 20 - H LYS 13 far 0 88 0 - 8.6-9.8 HD3 LYS 20 - H LYS 13 far 0 84 0 - 9.2-11.1 HG3 LYS 20 - H LYS 13 far 0 84 0 - 9.6-12.0 HD3 LYS 90 - H LYS 13 far 0 100 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 6179 from nnoeabs.peaks (1.70, 8.07, 119.60 ppm; 5.02 A increased from 4.02 A): 5 out of 11 assignments used, quality = 1.00: * HD3 LYS 13 + H LYS 13 OK 100 100 100 100 4.0-5.2 3.6/6175=92, 3.0/6177=89...(30) HD2 LYS 13 + H LYS 13 OK 100 100 100 100 3.6-5.2 3.6/6175=92, 3.0/6177=89...(30) HB ILE 15 + H LYS 13 OK 76 82 100 92 4.8-5.1 3.2/8384=64, 644/3.6=62 HD3 LYS 12 + H LYS 13 OK 55 100 55 99 4.5-5.6 3.6/6166=87, 3.0/6168=61...(8) HD2 LYS 12 + H LYS 13 OK 40 100 40 99 4.7-6.6 3.6/6165=87, 3.0/6168=61...(8) HG12 ILE 15 - H LYS 13 far 0 99 0 - 5.5-7.2 HG2 PRO 86 - H LYS 13 far 0 99 0 - 7.0-8.8 HD2 LYS 20 - H LYS 13 far 0 85 0 - 8.6-9.8 HD3 LYS 20 - H LYS 13 far 0 81 0 - 9.2-11.1 HG3 LYS 20 - H LYS 13 far 0 81 0 - 9.6-12.0 HD3 LYS 90 - H LYS 13 far 0 100 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 6180 from nnoeabs.peaks (2.96, 8.07, 119.60 ppm; 5.33 A): 3 out of 6 assignments used, quality = 0.97: HE3 LYS 13 + H LYS 13 OK 75 100 75 100 3.6-6.2 3.8/6177=83, 3.8/6176=81...(24) HB3 ASP 11 + H LYS 13 OK 69 70 100 100 2.7-3.5 6195/6182=81...(11) * HE2 LYS 13 + H LYS 13 OK 55 100 55 100 4.4-6.5 3.8/6177=83, 3.8/6176=81...(24) HE3 LYS 12 - H LYS 13 far 15 100 15 - 4.2-7.7 HB2 SER 9 - H LYS 13 far 0 75 0 - 6.6-8.5 HB2 ASN 10 - H LYS 13 far 0 73 0 - 7.6-8.6 Violated in 0 structures by 0.00 A. Peak 6181 from nnoeabs.peaks (2.96, 8.07, 119.60 ppm; 5.33 A): 3 out of 6 assignments used, quality = 0.96: * HE3 LYS 13 + H LYS 13 OK 75 100 75 100 3.6-6.2 3.8/6177=83, 3.8/6176=81...(24) HB3 ASP 11 + H LYS 13 OK 65 65 100 100 2.7-3.5 6196/6182=81...(11) HE2 LYS 13 + H LYS 13 OK 55 100 55 100 4.4-6.5 3.8/6177=83, 3.8/6176=81...(24) HE3 LYS 12 - H LYS 13 far 15 100 15 - 4.2-7.7 HB2 SER 9 - H LYS 13 far 0 71 0 - 6.6-8.5 HB2 ASN 10 - H LYS 13 far 0 77 0 - 7.6-8.6 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 = 0.94: * H LEU 14 + H LYS 13 OK 94 100 100 94 2.7-2.9 6187=50, 4.6/6174=28...(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 4.4-4.7 6163/6182=95, 6161=84...(8) 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 4.3-4.7 3.6/6182=94...(10) 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 97 100 100 97 2.5-2.7 6209=67, 6212/602=33...(15) * H LYS 13 + H LEU 14 OK 97 100 100 97 2.7-2.9 6182=83, 6174/4.6=24...(15) H GLU 17 - H LEU 14 far 0 98 0 - 4.9-5.1 H LYS 90 - H LEU 14 far 0 79 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 6188 from nnoeabs.peaks (4.15, 7.55, 122.27 ppm; 4.19 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 13 + H LEU 14 OK 100 100 100 100 3.5-3.6 3.6=100 HB3 SER 85 - H LEU 14 far 0 65 0 - 8.5-8.9 HB2 SER 59 - H LEU 14 far 0 100 0 - 8.7-10.0 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 5 assignments used, quality = 1.00: HB3 LEU 14 + H LEU 14 OK 96 97 100 99 2.3-2.4 1.8/6198=60, 602=55...(20) * HB2 LYS 13 + H LEU 14 OK 93 100 100 93 2.4-2.7 6174/6182=49, 505=34...(15) HB3 LYS 13 + H LEU 14 OK 53 100 60 89 3.1-3.6 516=33, 4.0/6182=32...(13) HB2 GLU 17 - H LEU 14 far 0 85 0 - 6.7-7.4 HB3 ARG 19 - H LEU 14 far 0 98 0 - 8.8-9.4 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 5 assignments used, quality = 1.00: HB3 LEU 14 + H LEU 14 OK 97 98 100 99 2.3-2.4 1.8/6198=60, 602=56...(20) HB2 LYS 13 + H LEU 14 OK 93 100 100 93 2.4-2.7 6175/6182=49, 505=34...(15) * HB3 LYS 13 + H LEU 14 OK 53 100 60 89 3.1-3.6 516=33, 4.0/6182=32...(13) HB2 GLU 17 - H LEU 14 far 0 82 0 - 6.7-7.4 HB3 ARG 19 - H LEU 14 far 0 96 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 6191 from nnoeabs.peaks (1.43, 7.55, 122.27 ppm; 5.01 A increased from 4.72 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 13 + H LEU 14 OK 100 100 100 100 4.6-5.0 6176/6182=84, 527=81...(12) HG2 LYS 12 - H LEU 14 far 0 96 0 - 6.4-6.8 HG12 ILE 7 - H LEU 14 far 0 100 0 - 8.1-8.6 HG2 LYS 20 - H LEU 14 far 0 82 0 - 9.2-11.8 Violated in 0 structures by 0.00 A. Peak 6192 from nnoeabs.peaks (1.50, 7.55, 122.27 ppm; 3.64 A): 1 out of 3 assignments used, quality = 0.85: HB2 LEU 14 + H LEU 14 OK 85 85 100 100 2.6-2.8 3.8=85, 1.8/602=73...(18) ! HG3 LYS 13 - H LEU 14 far 0 100 0 - 4.2-4.7 HB ILE 7 - H LEU 14 far 0 85 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 6193 from nnoeabs.peaks (1.70, 7.55, 122.27 ppm; 4.96 A increased from 3.97 A): 3 out of 12 assignments used, quality = 0.92: HB ILE 15 + H LEU 14 OK 79 79 100 100 4.7-5.0 6219/6209=91...(10) * HD2 LYS 13 + H LEU 14 OK 49 100 50 98 5.0-6.3 3.0/6191=66, 6.0/6182=49...(10) HD3 LYS 13 + H LEU 14 OK 25 100 25 98 5.1-6.3 3.0/6191=66, 6.0/6182=49...(10) HG12 ILE 15 - H LEU 14 far 5 100 5 - 4.4-6.3 HG2 PRO 86 - H LEU 14 far 5 99 5 - 5.3-6.8 HD3 LYS 12 - H LEU 14 far 0 100 0 - 6.0-7.1 HD2 LYS 12 - H LEU 14 far 0 100 0 - 6.1-8.2 HD3 LYS 90 - H LEU 14 far 0 100 0 - 7.8-10.8 HD2 LYS 20 - H LEU 14 far 0 88 0 - 8.3-9.7 HD3 LYS 20 - H LEU 14 far 0 84 0 - 8.7-10.7 HG3 LYS 20 - H LEU 14 far 0 84 0 - 9.3-11.1 HD2 LYS 90 - H LEU 14 far 0 59 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 6194 from nnoeabs.peaks (1.70, 7.55, 122.27 ppm; 4.96 A increased from 3.97 A): 3 out of 12 assignments used, quality = 0.93: HB ILE 15 + H LEU 14 OK 82 82 100 100 4.7-5.0 6219/6209=90...(10) HD2 LYS 13 + H LEU 14 OK 49 100 50 98 5.0-6.3 3.0/6191=66, 6.0/6182=49...(10) * HD3 LYS 13 + H LEU 14 OK 25 100 25 98 5.1-6.3 3.0/6191=66, 6.0/6182=49...(10) HG12 ILE 15 - H LEU 14 far 5 99 5 - 4.4-6.3 HG2 PRO 86 - H LEU 14 far 5 99 5 - 5.3-6.8 HD3 LYS 12 - H LEU 14 far 0 100 0 - 6.0-7.1 HD2 LYS 12 - H LEU 14 far 0 100 0 - 6.1-8.2 HD3 LYS 90 - H LEU 14 far 0 100 0 - 7.8-10.8 HD2 LYS 20 - H LEU 14 far 0 85 0 - 8.3-9.7 HD3 LYS 20 - H LEU 14 far 0 81 0 - 8.7-10.7 HG3 LYS 20 - H LEU 14 far 0 81 0 - 9.3-11.1 HD2 LYS 90 - H LEU 14 far 0 63 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 6195 from nnoeabs.peaks (2.96, 7.55, 122.27 ppm; 4.47 A): 1 out of 7 assignments used, quality = 0.69: HB3 ASP 11 + H LEU 14 OK 69 70 100 100 2.3-2.7 1.8/8418=71, 3.0/8419=41...(18) HB2 SER 9 - H LEU 14 far 0 75 0 - 5.1-6.6 HE3 LYS 13 - H LEU 14 far 0 100 0 - 5.4-7.4 ! HE2 LYS 13 - H LEU 14 far 0 100 0 - 5.5-7.5 HE3 LYS 12 - H LEU 14 far 0 100 0 - 6.0-9.2 HB2 ASN 10 - H LEU 14 far 0 73 0 - 7.7-8.4 HE3 LYS 90 - H LEU 14 far 0 87 0 - 8.7-11.0 Violated in 0 structures by 0.00 A. Peak 6196 from nnoeabs.peaks (2.96, 7.55, 122.27 ppm; 4.47 A): 1 out of 7 assignments used, quality = 0.65: HB3 ASP 11 + H LEU 14 OK 65 65 100 99 2.3-2.7 1.8/8418=71, 3.0/8419=41...(18) HB2 SER 9 - H LEU 14 far 0 71 0 - 5.1-6.6 ! HE3 LYS 13 - H LEU 14 far 0 100 0 - 5.4-7.4 HE2 LYS 13 - H LEU 14 far 0 100 0 - 5.5-7.5 HE3 LYS 12 - H LEU 14 far 0 100 0 - 6.0-9.2 HB2 ASN 10 - H LEU 14 far 0 77 0 - 7.7-8.4 HE3 LYS 90 - H LEU 14 far 0 90 0 - 8.7-11.0 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 1 assignment used, quality = 1.00: * HA LEU 14 + H LEU 14 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6198 from nnoeabs.peaks (1.52, 7.55, 122.27 ppm; 3.31 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 14 + H LEU 14 OK 100 100 100 100 2.6-2.8 594=79, 1.8/602=61...(18) HG3 LYS 13 - H LEU 14 far 0 85 0 - 4.2-4.7 HB ILE 7 - H LEU 14 far 0 100 0 - 9.0-9.6 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 7 assignments used, quality = 1.00: * HB3 LEU 14 + H LEU 14 OK 99 100 100 99 2.3-2.4 1.8/6198=58, 602=55...(20) HB2 LYS 13 + H LEU 14 OK 88 97 100 91 2.4-2.7 6175/6182=45, 516=31...(14) HB3 LYS 13 + H LEU 14 OK 43 98 50 87 3.1-3.6 4.0/6182=31, 516=31...(12) HB3 LYS 12 - H LEU 14 far 0 65 0 - 5.4-5.7 HB2 LYS 12 - H LEU 14 far 0 61 0 - 5.5-5.8 HB2 GLU 17 - H LEU 14 far 0 59 0 - 6.7-7.4 HB3 ARG 19 - H LEU 14 far 0 82 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 6200 from nnoeabs.peaks (1.35, 7.55, 122.27 ppm; 4.49 A increased from 4.22 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 14 + H LEU 14 OK 100 100 100 100 4.4-4.5 610=93, 3.0/6198=84...(15) QB ALA 89 - H LEU 14 far 0 99 0 - 6.7-6.9 Violated in 0 structures by 0.00 A. Peak 6201 from nnoeabs.peaks (0.68, 7.55, 122.27 ppm; 4.04 A): 2 out of 4 assignments used, quality = 0.99: * QD1 LEU 14 + H LEU 14 OK 95 100 95 100 4.2-4.3 618=79, 619/3.0=70...(19) QD2 LEU 14 + H LEU 14 OK 75 75 100 100 3.8-4.1 3.1/6198=70, 3.1/602=64...(21) QD2 LEU 29 - H LEU 14 far 0 68 0 - 8.9-9.6 QD1 LEU 29 - H LEU 14 far 0 87 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 6202 from nnoeabs.peaks (0.71, 7.55, 122.27 ppm; 4.09 A increased from 3.85 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 14 + H LEU 14 OK 100 100 100 100 3.8-4.1 626=97, 3.1/6198=72...(21) QD1 LEU 14 + H LEU 14 OK 75 75 100 100 4.2-4.3 3.1/6198=72, 2.1/626=71...(18) 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 97 100 100 97 2.5-2.7 6209=67, 6212/602=33...(15) H LYS 13 + H LEU 14 OK 97 100 100 97 2.7-2.9 6182=83, 6174/4.6=24...(15) H GLU 17 - H LEU 14 far 0 99 0 - 4.9-5.1 H LYS 90 - H LEU 14 far 0 81 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 6204 from nnoeabs.peaks (8.02, 7.55, 122.27 ppm; 4.58 A increased from 4.07 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 16 + H LEU 14 OK 100 100 100 100 4.1-4.4 6227=100, 6226/3.6=68...(9) H LYS 90 - H LEU 14 far 0 77 0 - 9.4-9.9 Violated in 0 structures by 0.00 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 = 0.99: * HA LYS 12 + H ILE 15 OK 99 100 100 99 3.2-3.5 644/6217=62, 8381/677=58...(12) HA LYS 12 - H GLU 17 far 0 93 0 - 6.1-6.6 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; 4.61 A increased from 4.10 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 13 + H ILE 15 OK 97 100 100 97 4.3-4.5 3.6/6209=77, 6226/4.6=54...(6) HA LYS 13 + H GLU 17 OK 86 93 100 92 4.0-4.5 493/702=73, 6226/4.6=54...(5) HB2 SER 59 - H ILE 15 far 0 100 0 - 8.7-10.3 HB3 SER 85 - H GLU 17 far 0 56 0 - 9.7-10.3 HB3 SER 85 - H ILE 15 far 0 65 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 6209 from nnoeabs.peaks (7.55, 8.07, 118.21 ppm; 3.35 A): 1 out of 3 assignments used, quality = 0.99: * H LEU 14 + H ILE 15 OK 99 100 100 99 2.5-2.7 6203=50, 602/6212=44...(15) H LEU 14 - H GLU 17 far 0 93 0 - 4.9-5.1 H GLU 88 - H GLU 17 far 0 83 0 - 9.2-9.8 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 3 assignments used, quality = 1.00: * HA LEU 14 + H ILE 15 OK 100 100 100 100 3.5-3.5 3.6=100 HA LEU 14 + H GLU 17 OK 88 93 100 94 3.7-3.9 590=45, 6262/6266=38...(9) HA LYS 90 - H GLU 17 far 0 89 0 - 7.6-8.2 Violated in 0 structures by 0.00 A. Peak 6211 from nnoeabs.peaks (1.52, 8.07, 118.21 ppm; 4.26 A increased from 3.78 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LEU 14 + H ILE 15 OK 100 100 100 100 4.0-4.1 601=99, 1.8/6212=97...(15) HG3 LYS 13 - H ILE 15 far 0 85 0 - 5.8-6.4 HB2 LEU 14 - H GLU 17 far 0 93 0 - 6.0-6.2 HG3 LYS 13 - H GLU 17 far 0 75 0 - 6.6-7.5 HB ILE 7 - H ILE 15 far 0 100 0 - 7.1-7.5 HB ILE 7 - H GLU 17 far 0 93 0 - 8.2-8.5 HG LEU 57 - H ILE 15 far 0 91 0 - 9.9-10.8 HG3 LYS 33 - H ILE 15 far 0 94 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 6212 from nnoeabs.peaks (1.90, 8.07, 118.21 ppm; 3.24 A): 1 out of 21 assignments used, quality = 0.99: * HB3 LEU 14 + H ILE 15 OK 99 100 100 99 2.6-2.9 609=54, 3.1/6215=43...(21) HB2 GLU 17 - H GLU 17 far 0 51 0 - 3.6-3.6 HB2 LYS 13 - H ILE 15 far 0 97 0 - 4.7-4.9 HB3 ARG 19 - H GLU 17 far 0 72 0 - 4.9-5.5 HB2 LYS 12 - H ILE 15 far 0 61 0 - 5.0-5.4 HB3 LYS 20 - H GLU 17 far 0 63 0 - 5.1-7.4 HB3 LYS 13 - H GLU 17 far 0 89 0 - 5.1-5.6 HB3 LYS 13 - H ILE 15 far 0 98 0 - 5.2-5.5 HB3 LYS 12 - H ILE 15 far 0 65 0 - 5.4-5.8 HB3 LEU 14 - H GLU 17 far 0 93 0 - 5.9-6.0 HB2 LYS 13 - H GLU 17 far 0 88 0 - 5.9-6.5 HB2 LYS 20 - H GLU 17 far 0 89 0 - 6.1-7.1 HB2 LYS 12 - H GLU 17 far 0 52 0 - 6.4-7.1 HB2 ARG 19 - H GLU 17 far 0 91 0 - 6.6-7.2 HB2 GLU 17 - H ILE 15 far 0 59 0 - 6.7-7.2 HB3 ARG 19 - H ILE 15 far 0 82 0 - 6.7-7.4 HB3 LYS 12 - H GLU 17 far 0 56 0 - 7.4-8.1 HB2 ARG 19 - H ILE 15 far 0 99 0 - 8.3-8.7 HB3 LYS 20 - H ILE 15 far 0 73 0 - 9.0-11.3 HB2 LYS 20 - H ILE 15 far 0 98 0 - 9.7-11.2 HB ILE 8 - H ILE 15 far 0 100 0 - 9.8-10.4 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 4 assignments used, quality = 1.00: * HG LEU 14 + H ILE 15 OK 100 100 100 100 4.1-4.3 2.1/6215=88, 3.0/6212=81...(15) HG LEU 14 - H GLU 17 far 0 93 0 - 5.2-5.6 QB ALA 89 - H GLU 17 far 0 90 0 - 5.6-5.9 QB ALA 89 - H ILE 15 far 0 99 0 - 6.0-6.3 Violated in 2 structures by 0.00 A. Peak 6214 from nnoeabs.peaks (0.68, 8.07, 118.21 ppm; 3.95 A): 1 out of 8 assignments used, quality = 0.75: QD2 LEU 14 + H ILE 15 OK 75 75 100 100 3.1-3.5 3.1/6212=69, 633=67...(18) ! QD1 LEU 14 - H ILE 15 far 0 100 0 - 4.8-5.0 QD2 LEU 14 - H GLU 17 far 0 65 0 - 5.5-6.0 QD1 LEU 14 - H GLU 17 far 0 93 0 - 6.1-6.4 QD1 LEU 29 - H GLU 17 far 0 76 0 - 6.4-7.1 QD2 LEU 29 - H GLU 17 far 0 58 0 - 6.8-7.4 QD2 LEU 29 - H ILE 15 far 0 68 0 - 6.9-7.6 QD1 LEU 29 - H ILE 15 far 0 87 0 - 7.2-7.8 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 7 assignments used, quality = 1.00: * QD2 LEU 14 + H ILE 15 OK 100 100 100 100 3.1-3.5 633=82, 3.1/6212=59...(18) QD1 LEU 14 - H ILE 15 far 0 75 0 - 4.8-5.0 QD2 LEU 14 - H GLU 17 far 0 93 0 - 5.5-6.0 QD1 LEU 14 - H GLU 17 far 0 65 0 - 6.1-6.4 QG1 VAL 5 - H GLU 17 far 0 84 0 - 8.9-9.7 QG1 VAL 5 - H ILE 15 far 0 94 0 - 9.0-9.6 HG13 ILE 93 - H GLU 17 far 0 58 0 - 9.3-10.1 Violated in 0 structures by 0.00 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 - 4.6-4.8 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 23 assignments used, quality = 0.98: * HB ILE 15 + H ILE 15 OK 98 100 100 98 2.4-2.5 645=60, 2.1/6218=37...(18) HG12 ILE 15 - H ILE 15 far 3 65 5 - 2.2-4.0 HB ILE 15 - H GLU 17 far 0 93 0 - 5.0-5.3 HD3 LYS 12 - H ILE 15 far 0 79 0 - 5.0-6.8 HD3 LYS 13 - H GLU 17 far 0 72 0 - 5.1-8.3 HD2 LYS 13 - H GLU 17 far 0 69 0 - 5.2-8.5 HD3 LYS 90 - H GLU 17 far 0 62 0 - 5.3-7.9 HD2 LYS 12 - H ILE 15 far 0 79 0 - 5.3-7.0 HG3 ARG 19 - H GLU 17 far 0 65 0 - 5.6-6.7 HG2 PRO 86 - H GLU 17 far 0 54 0 - 5.9-6.8 HG3 ARG 19 - H ILE 15 far 0 75 0 - 6.2-7.2 HG12 ILE 15 - H GLU 17 far 0 56 0 - 6.2-7.3 HD2 LYS 13 - H ILE 15 far 0 79 0 - 6.3-8.2 HD3 LYS 13 - H ILE 15 far 0 82 0 - 6.4-8.1 HG2 PRO 86 - H ILE 15 far 0 63 0 - 6.9-8.2 HD2 LYS 90 - H GLU 17 far 0 91 0 - 7.0-7.9 HD3 LYS 12 - H GLU 17 far 0 69 0 - 7.0-10.0 HD2 LYS 12 - H GLU 17 far 0 69 0 - 7.5-9.9 HD3 LYS 90 - H ILE 15 far 0 71 0 - 8.0-11.0 HD2 LYS 90 - H ILE 15 far 0 99 0 - 9.7-10.8 HD3 LYS 33 - H ILE 15 far 0 100 0 - 9.7-11.6 HD2 LYS 24 - H GLU 17 far 0 60 0 - 9.9-12.4 HD3 LYS 24 - H GLU 17 far 0 62 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 6218 from nnoeabs.peaks (0.81, 8.07, 118.21 ppm; 3.89 A increased from 3.27 A): 1 out of 9 assignments used, quality = 1.00: * QG2 ILE 15 + H ILE 15 OK 100 100 100 100 3.7-3.8 653=92, 2.1/6217=90...(18) QG2 ILE 7 - H ILE 15 far 0 99 0 - 4.9-5.3 QG2 ILE 15 - H GLU 17 far 0 93 0 - 5.0-5.1 QG2 ILE 7 - H GLU 17 far 0 90 0 - 6.5-6.9 QG2 ILE 8 - H ILE 15 far 0 88 0 - 8.5-8.9 QD1 LEU 57 - H ILE 15 far 0 94 0 - 9.0-9.8 QD1 LEU 57 - H GLU 17 far 0 84 0 - 9.4-10.1 QD2 LEU 57 - H ILE 15 far 0 97 0 - 9.6-10.8 QD2 LEU 57 - H GLU 17 far 0 88 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 6219 from nnoeabs.peaks (1.69, 8.07, 118.21 ppm; 3.01 A): 1 out of 25 assignments used, quality = 0.64: HB ILE 15 + H ILE 15 OK 64 65 100 97 2.4-2.5 4.0=44, 2.1/6218=41...(18) ! HG12 ILE 15 - H ILE 15 far 5 100 5 - 2.2-4.0 HD2 LYS 20 - H GLU 17 far 0 86 0 - 3.4-5.0 HD3 LYS 20 - H GLU 17 far 0 83 0 - 4.1-6.1 HG3 LYS 20 - H GLU 17 far 0 83 0 - 4.6-6.3 HB ILE 15 - H GLU 17 far 0 56 0 - 5.0-5.3 HD3 LYS 12 - H ILE 15 far 0 100 0 - 5.0-6.8 HD3 LYS 13 - H GLU 17 far 0 91 0 - 5.1-8.3 HD2 LYS 13 - H GLU 17 far 0 92 0 - 5.2-8.5 HD3 LYS 90 - H GLU 17 far 0 93 0 - 5.3-7.9 HD2 LYS 12 - H ILE 15 far 0 100 0 - 5.3-7.0 HG2 PRO 86 - H GLU 17 far 0 93 0 - 5.9-6.8 HG12 ILE 15 - H GLU 17 far 0 93 0 - 6.2-7.3 HD2 LYS 13 - H ILE 15 far 0 100 0 - 6.3-8.2 HD3 LYS 13 - H ILE 15 far 0 99 0 - 6.4-8.1 HG2 PRO 86 - H ILE 15 far 0 100 0 - 6.9-8.2 HD3 LYS 12 - H GLU 17 far 0 92 0 - 7.0-10.0 HD2 LYS 20 - H ILE 15 far 0 96 0 - 7.4-8.6 HD2 LYS 12 - H GLU 17 far 0 92 0 - 7.5-9.9 HG3 LYS 20 - H ILE 15 far 0 93 0 - 8.0-10.1 HD3 LYS 90 - H ILE 15 far 0 100 0 - 8.0-11.0 HD3 LYS 20 - H ILE 15 far 0 93 0 - 8.2-10.0 HD3 LYS 33 - H ILE 15 far 0 75 0 - 9.7-11.6 HD2 LYS 24 - H GLU 17 far 0 93 0 - 9.9-12.4 HD3 LYS 24 - H GLU 17 far 0 93 0 - 9.9-13.5 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 11 assignments used, quality = 1.00: QD1 ILE 15 + H ILE 15 OK 99 100 100 99 3.0-3.3 677=60, 3.2/6217=47...(19) * HG13 ILE 15 + H ILE 15 OK 94 100 95 99 2.3-3.6 2.9/6217=52, 669=50...(18) HG13 ILE 15 - H GLU 17 far 0 93 0 - 6.1-7.0 QD1 ILE 15 - H GLU 17 far 0 93 0 - 6.2-6.5 QD1 ILE 93 - H GLU 17 far 0 87 0 - 6.3-6.6 QD1 ILE 93 - H ILE 15 far 0 96 0 - 7.7-7.9 QG2 ILE 8 - H ILE 15 far 0 73 0 - 8.5-8.9 QG2 ILE 93 - H GLU 17 far 0 93 0 - 8.8-9.2 QG1 VAL 5 - H GLU 17 far 0 70 0 - 8.9-9.7 QG1 VAL 5 - H ILE 15 far 0 81 0 - 9.0-9.6 HG13 ILE 93 - H GLU 17 far 0 90 0 - 9.3-10.1 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 15 assignments used, quality = 1.00: * QD1 ILE 15 + H ILE 15 OK 99 100 100 99 3.0-3.3 677=60, 3.2/6217=47...(19) HG13 ILE 15 + H ILE 15 OK 94 100 95 99 2.3-3.6 2.9/6217=52, 669=50...(18) QG2 ILE 7 - H ILE 15 far 0 59 0 - 4.9-5.3 HG13 ILE 15 - H GLU 17 far 0 93 0 - 6.1-7.0 QD1 ILE 15 - H GLU 17 far 0 93 0 - 6.2-6.5 QD1 ILE 93 - H GLU 17 far 0 91 0 - 6.3-6.6 QG2 ILE 7 - H GLU 17 far 0 51 0 - 6.5-6.9 QD1 ILE 93 - H ILE 15 far 0 99 0 - 7.7-7.9 QG2 ILE 8 - H ILE 15 far 0 82 0 - 8.5-8.9 QG2 ILE 93 - H GLU 17 far 0 91 0 - 8.8-9.2 QG1 VAL 5 - H GLU 17 far 0 62 0 - 8.9-9.7 QG1 VAL 5 - H ILE 15 far 0 71 0 - 9.0-9.6 HG13 ILE 93 - H GLU 17 far 0 86 0 - 9.3-10.1 QD2 LEU 57 - H ILE 15 far 0 65 0 - 9.6-10.8 QD2 LEU 57 - H GLU 17 far 0 56 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 6222 from nnoeabs.peaks (8.02, 8.07, 118.21 ppm; 2.75 A increased from 2.59 A): 2 out of 4 assignments used, quality = 0.97: * H GLU 16 + H ILE 15 OK 87 100 100 87 2.5-2.8 6231/6217=37...(13) H GLU 16 + H GLU 17 OK 79 93 100 84 2.7-2.9 6237/702=30, 6238/710=26...(11) H LYS 90 - H GLU 17 far 0 67 0 - 7.1-7.6 H LYS 90 - H ILE 15 far 0 77 0 - 9.0-9.6 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 6 assignments used, quality = 1.00: * HA LYS 12 + H GLU 16 OK 99 100 100 99 3.4-4.0 644/6231=69, 8381/684=56...(9) HA GLU 43 + H ARG 46 OK 45 46 100 98 3.4-3.8 1958=74, 3.6/6716=46...(12) HB3 SER 49 - H ARG 46 far 0 65 0 - 5.3-6.4 HA ALA 71 - H ARG 46 far 0 63 0 - 7.6-8.5 HA LYS 40 - H ARG 46 far 0 63 0 - 8.0-8.2 HA LEU 38 - H ARG 46 far 0 56 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 6226 from nnoeabs.peaks (4.15, 8.02, 118.48 ppm; 3.90 A increased from 3.67 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 13 + H GLU 16 OK 100 100 100 100 3.5-4.0 492=95, 493/6237=61...(8) HA LYS 47 - H ARG 46 far 0 62 0 - 4.9-5.3 Violated in 3 structures by 0.01 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 4.1-4.4 6204=99, 3.6/6226=67...(9) H ILE 76 - H ARG 46 far 0 64 0 - 8.0-9.0 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 4.5-4.8 3.0/6227=88...(5) HA LEU 42 + H ARG 46 OK 53 53 100 100 3.6-4.3 1906/6734=72...(11) HA LYS 90 - H GLU 16 far 0 98 0 - 9.8-10.4 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 90 100 100 90 2.5-2.8 6217/6231=41...(13) H GLU 17 + H GLU 16 OK 88 99 100 89 2.7-2.9 6250/6237=36...(11) H LYS 13 - H GLU 16 far 0 100 0 - 4.5-4.8 H GLU 75 - H ARG 46 far 0 65 0 - 9.2-10.2 H LYS 90 - H GLU 16 far 0 81 0 - 9.3-9.8 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 11 assignments used, quality = 0.98: * HB ILE 15 + H GLU 16 OK 98 100 100 98 2.4-2.7 652=68, 2.1/660=48...(13) HD3 LYS 12 - H GLU 16 far 0 79 0 - 4.2-7.5 HG12 ILE 15 - H GLU 16 far 0 65 0 - 4.2-5.1 HG3 ARG 19 - H GLU 16 far 0 75 0 - 4.8-6.0 HD2 LYS 12 - H GLU 16 far 0 79 0 - 4.9-7.1 HD3 LYS 13 - H GLU 16 far 0 82 0 - 5.3-8.2 HD2 LYS 13 - H GLU 16 far 0 79 0 - 5.6-8.5 HG2 PRO 86 - H GLU 16 far 0 63 0 - 7.6-8.9 HD3 LYS 90 - H GLU 16 far 0 71 0 - 7.8-10.7 HB2 LEU 2 - H ARG 46 far 0 46 0 - 8.9-9.5 HD2 LYS 90 - H GLU 16 far 0 99 0 - 9.5-10.6 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 8 assignments used, quality = 1.00: * QG2 ILE 15 + H GLU 16 OK 100 100 100 100 3.0-3.5 660=74, 2.1/6231=73...(16) QD1 ILE 76 + H ARG 46 OK 47 63 75 99 2.9-4.2 9630=48, 9639/3.0=46...(22) QG2 ILE 52 - H ARG 46 far 0 42 0 - 4.5-4.9 QG2 ILE 7 - H GLU 16 far 0 99 0 - 5.5-5.8 QD1 LEU 6 - H ARG 46 far 0 32 0 - 6.8-7.5 QD2 LEU 2 - H ARG 46 far 0 65 0 - 7.5-10.0 QD2 LEU 38 - H ARG 46 far 0 61 0 - 9.2-10.0 QG2 VAL 32 - H ARG 46 far 0 53 0 - 9.8-10.2 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 16 assignments used, quality = 0.65: HB ILE 15 + H GLU 16 OK 65 65 100 99 2.4-2.7 2.1/660=63, 652=56...(13) HD3 LYS 12 - H GLU 16 far 0 100 0 - 4.2-7.5 ! HG12 ILE 15 - H GLU 16 far 0 100 0 - 4.2-5.1 HD2 LYS 47 - H ARG 46 far 0 61 0 - 4.7-7.0 HD3 LYS 47 - H ARG 46 far 0 61 0 - 4.8-6.4 HD2 LYS 12 - H GLU 16 far 0 100 0 - 4.9-7.1 HD2 LYS 20 - H GLU 16 far 0 96 0 - 5.1-6.3 HD3 LYS 13 - H GLU 16 far 0 99 0 - 5.3-8.2 HG3 LYS 20 - H GLU 16 far 0 93 0 - 5.5-8.2 HD2 LYS 13 - H GLU 16 far 0 100 0 - 5.6-8.5 HD3 LYS 20 - H GLU 16 far 0 93 0 - 5.7-7.5 HB ILE 52 - H ARG 46 far 0 52 0 - 6.6-7.1 HG2 PRO 86 - H GLU 16 far 0 100 0 - 7.6-8.9 HD3 LYS 90 - H GLU 16 far 0 100 0 - 7.8-10.7 HB2 LEU 2 - H ARG 46 far 0 64 0 - 8.9-9.5 HB3 LYS 40 - H ARG 46 far 0 63 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 6234 from nnoeabs.peaks (0.75, 8.02, 118.48 ppm; 4.35 A increased from 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=94, 3.2/6231=78...(13) * HG13 ILE 15 + H GLU 16 OK 95 100 95 100 4.3-5.1 2.9/6231=83, 639/3.6=73...(12) QG2 ILE 52 - H ARG 46 poor 20 50 40 97 4.5-4.9 8996/3.6=55, 3.1/9151=41...(10) QD2 LEU 42 - H ARG 46 poor 15 61 25 - 4.4-5.0 QG1 VAL 78 - H ARG 46 far 0 63 0 - 6.1-6.9 QG1 VAL 54 - H ARG 46 far 0 64 0 - 6.6-7.7 QD1 LEU 6 - H ARG 46 far 0 58 0 - 6.8-7.5 QD1 ILE 93 - H GLU 16 far 0 96 0 - 7.4-7.8 QG2 VAL 78 - H ARG 46 far 0 39 0 - 8.3-9.3 QG1 VAL 5 - H GLU 16 far 0 81 0 - 9.3-9.9 QG2 ILE 93 - H GLU 16 far 0 100 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 6235 from nnoeabs.peaks (0.76, 8.02, 118.48 ppm; 4.35 A increased from 3.87 A): 3 out of 12 assignments used, quality = 1.00: * QD1 ILE 15 + H GLU 16 OK 100 100 100 100 4.0-4.3 684=94, 3.2/6231=78...(13) HG13 ILE 15 + H GLU 16 OK 95 100 95 100 4.3-5.1 2.9/6231=83, 639/3.6=73...(12) QG2 ILE 52 + H ARG 46 OK 22 56 40 97 4.5-4.9 8996/3.6=58, 3.1/9151=41...(11) QD2 LEU 42 - H ARG 46 poor 16 64 25 - 4.4-5.0 QG2 ILE 7 - H GLU 16 far 0 59 0 - 5.5-5.8 QG1 VAL 78 - H ARG 46 far 0 60 0 - 6.1-6.9 QG1 VAL 54 - H ARG 46 far 0 65 0 - 6.6-7.7 QD1 LEU 6 - H ARG 46 far 0 62 0 - 6.8-7.5 QD1 ILE 93 - H GLU 16 far 0 99 0 - 7.4-7.8 QG2 VAL 78 - H ARG 46 far 0 33 0 - 8.3-9.3 QG1 VAL 5 - H GLU 16 far 0 71 0 - 9.3-9.9 QG2 ILE 93 - H GLU 16 far 0 99 0 - 9.9-10.4 Violated in 0 structures by 0.00 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 HA GLU 17 - H GLU 16 far 0 99 0 - 5.3-5.5 HB2 SER 49 - H ARG 46 far 0 61 0 - 5.5-7.1 HA LYS 20 - H GLU 16 far 0 100 0 - 8.2-9.0 Violated in 0 structures by 0.00 A. Peak 6237 from nnoeabs.peaks (2.08, 8.02, 118.48 ppm; 3.17 A): 1 out of 6 assignments used, quality = 0.99: * HB2 GLU 16 + H GLU 16 OK 99 100 100 99 2.4-3.4 696=80, 1.8/6238=57...(11) HB3 GLU 43 - H ARG 46 far 0 62 0 - 5.3-5.7 HB3 GLU 48 - H ARG 46 far 0 46 0 - 5.7-6.5 HB2 MET 74 - H ARG 46 far 0 61 0 - 5.7-6.8 HB3 PRO 86 - H GLU 16 far 0 79 0 - 7.1-7.5 HB2 MET 21 - H GLU 16 far 0 85 0 - 8.5-9.5 Violated in 2 structures by 0.02 A. Peak 6238 from nnoeabs.peaks (2.17, 8.02, 118.48 ppm; 3.61 A increased from 3.04 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 16 + H GLU 16 OK 100 100 100 100 2.1-3.6 704=99, 1.8/6237=84...(12) HG2 GLU 44 - H ARG 46 far 0 42 0 - 4.9-6.4 HG2 GLU 43 - H ARG 46 far 0 52 0 - 5.7-6.6 HG3 PRO 86 - H GLU 16 far 0 77 0 - 7.5-9.2 HB3 GLU 75 - H ARG 46 far 0 50 0 - 8.5-9.5 HB2 GLU 75 - H ARG 46 far 0 43 0 - 9.3-10.8 HG3 GLU 75 - H ARG 46 far 0 63 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 6239 from nnoeabs.peaks (2.34, 8.02, 118.48 ppm; 3.57 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 16 + H GLU 16 OK 100 100 100 100 2.1-3.6 711=83, 1.8/718=62...(12) HG3 GLU 44 - H ARG 46 far 0 59 0 - 5.3-6.3 HG3 GLU 43 - H ARG 46 far 0 58 0 - 5.8-7.1 HG2 GLU 48 - H ARG 46 far 0 65 0 - 6.1-8.8 HB2 TYR 41 - H ARG 46 far 0 50 0 - 7.2-7.7 Violated in 1 structures by 0.00 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 2.6-3.6 718=71, 1.8/711=64...(11) HG3 GLU 43 - H ARG 46 far 0 50 0 - 5.8-7.1 HG2 GLU 48 - H ARG 46 far 0 37 0 - 6.1-8.8 HB2 GLU 48 - H ARG 46 far 0 65 0 - 6.9-7.9 HB2 TYR 41 - H ARG 46 far 0 58 0 - 7.2-7.7 HB2 TYR 4 - H ARG 46 far 0 64 0 - 7.8-8.6 HG2 GLU 23 - H GLU 16 far 0 81 0 - 9.5-10.7 Violated in 2 structures by 0.00 A. Peak 6241 from nnoeabs.peaks (8.06, 8.02, 118.48 ppm; 2.85 A increased from 2.40 A): 2 out of 5 assignments used, quality = 0.99: * H GLU 17 + H GLU 16 OK 89 100 100 89 2.7-2.9 6250/6237=36...(11) H ILE 15 + H GLU 16 OK 88 99 100 89 2.5-2.8 6217/6231=40...(13) H LYS 13 - H GLU 16 far 0 98 0 - 4.5-4.8 H GLU 75 - H ARG 46 far 0 61 0 - 9.2-10.2 H LYS 90 - H GLU 16 far 0 95 0 - 9.3-9.8 Violated in 0 structures by 0.00 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 4.0-4.3 6264=100, 6263/3.6=67...(10) H ASP 11 - H GLU 16 far 0 94 0 - 7.2-7.6 H ASN 10 - H GLU 16 far 0 97 0 - 8.7-9.1 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; 4.40 A increased from 4.14 A): 2 out of 5 assignments used, quality = 0.99: * HA LYS 13 + H GLU 17 OK 91 100 100 91 4.0-4.5 493/6250=72, 6226/4.6=49...(5) HA LYS 13 + H ILE 15 OK 87 93 100 93 4.3-4.5 3.6/6209=62, 6226/4.6=49...(6) HB2 SER 59 - H ILE 15 far 0 93 0 - 8.7-10.3 HB3 SER 85 - H GLU 17 far 0 65 0 - 9.7-10.3 HB3 SER 85 - H ILE 15 far 0 56 0 - 9.9-10.3 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 3 assignments used, quality = 1.00: * HA LEU 14 + H GLU 17 OK 96 100 100 96 3.7-3.9 590=47, 593/6256=44...(9) HA LEU 14 + H ILE 15 OK 93 93 100 100 3.5-3.5 3.6=100 HA LYS 90 - H GLU 17 far 0 98 0 - 7.6-8.2 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 0 100 0 - 4.6-4.8 Violated in 0 structures by 0.00 A. Peak 6248 from nnoeabs.peaks (8.02, 8.06, 118.10 ppm; 2.72 A increased from 2.56 A): 2 out of 4 assignments used, quality = 0.97: * H GLU 16 + H GLU 17 OK 85 100 100 85 2.7-2.9 6237/6250=33...(11) H GLU 16 + H ILE 15 OK 78 93 100 84 2.5-2.8 6231/6217=31, 660/4.0=21...(13) H LYS 90 - H GLU 17 far 0 77 0 - 7.1-7.6 H LYS 90 - H ILE 15 far 0 67 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 6249 from nnoeabs.peaks (4.04, 8.06, 118.10 ppm; 3.33 A): 2 out of 6 assignments used, quality = 1.00: HA GLU 17 + H GLU 17 OK 99 99 100 100 2.7-2.8 2.9=100 * HA GLU 16 + H GLU 17 OK 99 100 100 99 3.6-3.6 3.6=81, 3.0/6250=53...(11) HA GLU 16 - H ILE 15 far 0 93 0 - 5.1-5.3 HA GLU 17 - H ILE 15 far 0 92 0 - 6.8-7.1 HA LYS 20 - H GLU 17 far 0 100 0 - 7.3-7.8 HB3 SER 59 - H ILE 15 far 0 92 0 - 8.5-10.0 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 9 assignments used, quality = 0.98: * HB2 GLU 16 + H GLU 17 OK 98 100 100 98 2.3-2.8 702=82, 1.8/710=62...(8) HB2 GLU 16 - H ILE 15 far 0 93 0 - 4.6-5.8 HB3 PRO 86 - H GLU 17 far 0 79 0 - 4.7-5.2 HB2 MET 21 - H GLU 17 far 0 85 0 - 6.5-7.4 HB3 PRO 86 - H ILE 15 far 0 69 0 - 6.9-7.3 QE MET 21 - H GLU 17 far 0 88 0 - 8.7-9.5 HG12 ILE 93 - H GLU 17 far 0 61 0 - 9.4-10.0 HB2 MET 21 - H ILE 15 far 0 75 0 - 9.6-10.4 HB VAL 83 - H ILE 15 far 0 54 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 6251 from nnoeabs.peaks (2.17, 8.06, 118.10 ppm; 3.61 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 16 + H GLU 17 OK 100 100 100 100 2.8-3.6 710=100, 1.8/6250=82...(6) HB3 GLU 16 - H ILE 15 far 0 93 0 - 4.3-6.2 HG3 PRO 86 - H GLU 17 far 0 77 0 - 5.8-7.2 HG3 PRO 86 - H ILE 15 far 0 67 0 - 6.9-8.7 Violated in 1 structures by 0.00 A. Peak 6252 from nnoeabs.peaks (2.34, 8.06, 118.10 ppm; 4.87 A increased from 4.59 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 16 + H GLU 17 OK 100 100 100 100 4.2-4.8 3.0/6250=91, 3.0/710=87...(7) HG2 GLU 16 + H ILE 15 OK 53 93 65 88 4.4-6.1 6239/4.6=63...(4) Violated in 0 structures by 0.00 A. Peak 6253 from nnoeabs.peaks (2.30, 8.06, 118.10 ppm; 4.82 A increased from 4.06 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 16 + H GLU 17 OK 100 100 100 100 4.0-4.9 3.0/6250=90, 3.0/710=86...(7) HG3 GLU 16 + H ILE 15 OK 39 93 50 84 4.6-5.8 6240/4.6=63, 1.8/717=27...(5) HG2 GLU 23 - H GLU 17 far 0 81 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 6254 from nnoeabs.peaks (4.05, 8.06, 118.10 ppm; 3.16 A): 1 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 far 0 99 0 - 3.6-3.6 HA GLU 16 - H ILE 15 far 0 92 0 - 5.1-5.3 HA PRO 86 - H GLU 17 far 0 63 0 - 5.6-6.0 HA PRO 86 - H ILE 15 far 0 54 0 - 6.2-6.5 HA GLU 17 - H ILE 15 far 0 93 0 - 6.8-7.1 HA LYS 20 - H GLU 17 far 0 100 0 - 7.3-7.8 HB3 SER 59 - H ILE 15 far 0 86 0 - 8.5-10.0 Violated in 0 structures by 0.00 A. Peak 6255 from nnoeabs.peaks (1.94, 8.06, 118.10 ppm; 3.11 A): 1 out of 12 assignments used, quality = 0.48: HB3 LEU 14 + H ILE 15 OK 48 51 100 95 2.6-2.9 1.8/601=37, 4.4=36...(18) ! HB2 GLU 17 - H GLU 17 far 0 100 0 - 3.6-3.6 HB2 LYS 13 - H ILE 15 far 0 75 0 - 4.7-4.9 HB3 ARG 19 - H GLU 17 far 0 98 0 - 4.9-5.5 HB3 LYS 20 - H GLU 17 far 0 100 0 - 5.1-7.4 HB3 LYS 13 - H GLU 17 far 0 82 0 - 5.1-5.6 HB3 LYS 13 - H ILE 15 far 0 72 0 - 5.2-5.5 HB3 LEU 14 - H GLU 17 far 0 59 0 - 5.9-6.0 HB2 LYS 13 - H GLU 17 far 0 85 0 - 5.9-6.5 HB2 GLU 17 - H ILE 15 far 0 93 0 - 6.7-7.2 HB3 ARG 19 - H ILE 15 far 0 89 0 - 6.7-7.4 HB3 LYS 20 - H ILE 15 far 0 92 0 - 9.0-11.3 Violated in 0 structures by 0.00 A. Peak 6256 from nnoeabs.peaks (2.01, 8.06, 118.10 ppm; 3.17 A): 1 out of 3 assignments used, quality = 0.95: * HB3 GLU 17 + H GLU 17 OK 95 100 100 95 2.3-2.6 744=51, 3.0/6258=43...(10) HB3 GLU 17 - H ILE 15 far 0 93 0 - 4.9-5.6 HG12 ILE 93 - H GLU 17 far 0 75 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 6257 from nnoeabs.peaks (2.24, 8.06, 118.10 ppm; 3.84 A increased from 3.62 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 17 + H GLU 17 OK 100 100 100 100 2.0-4.0 751=99, 1.8/6258=82...(8) HG2 GLU 17 - H ILE 15 far 0 93 0 - 5.5-7.5 HG2 GLU 23 - H GLU 17 far 0 84 0 - 9.1-10.1 Violated in 3 structures by 0.02 A. Peak 6258 from nnoeabs.peaks (2.43, 8.06, 118.10 ppm; 3.55 A increased from 3.34 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLU 17 + H GLU 17 OK 100 100 100 100 2.4-3.6 758=90, 1.8/6257=64...(12) HB2 ASP 11 - H ILE 15 far 0 93 0 - 4.5-5.6 HG3 GLU 17 - H ILE 15 far 0 93 0 - 5.6-7.5 HG3 MET 21 - H GLU 17 far 0 79 0 - 7.3-8.4 HB2 ASP 11 - H GLU 17 far 0 100 0 - 8.0-9.1 HB3 MET 21 - H GLU 17 far 0 77 0 - 8.2-9.1 Violated in 3 structures by 0.01 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...(14) H ASP 11 - H ILE 15 far 0 84 0 - 4.7-5.1 H ALA 18 - H ILE 15 far 0 93 0 - 4.8-5.0 H ASN 10 - H ILE 15 far 0 88 0 - 6.2-6.6 H ASP 11 - H GLU 17 far 0 94 0 - 8.9-9.3 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 2 assignments used, quality = 1.00: * H ARG 19 + H GLU 17 OK 100 100 100 100 4.0-4.3 6279=90, 6281/6259=80...(7) H ARG 19 - H ILE 15 far 0 93 0 - 5.9-6.2 Violated in 0 structures by 0.00 A. Peak 6261 from nnoeabs.peaks (8.65, 8.65, 122.44 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * H ALA 18 + H ALA 18 OK 100 100 - 100 H ASN 10 + H ASN 10 OK 79 79 - 100 H ASP 11 + H ASP 11 OK 55 55 - 100 Peak 6262 from nnoeabs.peaks (3.68, 8.65, 122.44 ppm; 4.86 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 14 + H ALA 18 OK 100 100 100 100 4.3-4.6 8395=83, 593/6269=56...(10) HA LYS 90 - H ALA 18 far 0 98 0 - 5.6-6.4 HA LEU 14 - H ASP 11 far 0 64 0 - 6.7-6.9 HA LEU 14 - H ASN 10 far 0 85 0 - 8.0-8.5 HA GLU 88 - H ALA 18 far 0 88 0 - 9.9-10.2 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 3.5-3.8 642=98, 643/2.9=79...(17) HA ILE 15 - H ASP 11 far 0 64 0 - 6.3-7.1 HA ILE 15 - H ASN 10 far 0 85 0 - 7.3-7.7 Violated in 0 structures by 0.00 A. Peak 6264 from nnoeabs.peaks (8.02, 8.65, 122.44 ppm; 4.47 A increased from 3.97 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 16 + H ALA 18 OK 100 100 100 100 4.0-4.3 6242=80, 3.6/6263=59...(10) H LYS 90 - H ALA 18 far 0 77 0 - 5.5-6.1 H GLU 16 - H ASP 11 far 0 64 0 - 7.2-7.6 H GLU 16 - H ASN 10 far 0 85 0 - 8.7-9.1 Violated in 0 structures by 0.00 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 3.5-3.6 3.6=100 * HA GLU 16 + H ALA 18 OK 94 100 95 99 4.0-4.6 3.6/6259=67...(11) HB3 SER 59 - H ASN 10 far 0 83 0 - 4.9-6.0 HB3 SER 59 - H ASP 11 far 0 62 0 - 6.3-6.9 HA LYS 20 - H ALA 18 far 0 100 0 - 6.8-7.2 HA GLU 16 - H ASP 11 far 0 64 0 - 9.7-10.2 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...(14) H ILE 15 - H ASP 11 far 0 61 0 - 4.7-5.1 H ILE 15 - H ALA 18 far 0 99 0 - 4.8-5.0 H LYS 13 - H ASP 11 far 0 60 0 - 5.2-5.6 H LYS 90 - H ALA 18 far 0 95 0 - 5.5-6.1 H ILE 15 - H ASN 10 far 0 81 0 - 6.2-6.6 H LYS 13 - H ASN 10 far 0 80 0 - 7.1-7.4 H LYS 13 - H ALA 18 far 0 98 0 - 7.8-8.3 H GLU 17 - H ASP 11 far 0 64 0 - 8.9-9.3 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 3.5-3.6 3.6=100 HA GLU 16 + H ALA 18 OK 49 99 50 98 4.0-4.6 3.6/6259=63...(10) HA PRO 86 - H ALA 18 far 0 63 0 - 4.9-5.4 HB3 SER 59 - H ASN 10 far 0 77 0 - 4.9-6.0 HB3 SER 59 - H ASP 11 far 0 57 0 - 6.3-6.9 HA LYS 20 - H ALA 18 far 0 100 0 - 6.8-7.2 HA PRO 86 - H ASP 11 far 0 33 0 - 8.8-9.2 HA PRO 86 - H ASN 10 far 0 47 0 - 9.7-10.2 HA GLU 16 - H ASP 11 far 0 62 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 6268 from nnoeabs.peaks (1.94, 8.65, 122.44 ppm; 3.90 A increased from 3.68 A): 2 out of 17 assignments used, quality = 1.00: * HB2 GLU 17 + H ALA 18 OK 100 100 100 100 3.4-3.8 1.8/6269=81, 742=68...(12) HB3 LEU 14 + H ASP 11 OK 26 31 100 83 3.9-4.1 1.8/8397=32, 3.1/8400=26...(10) HB3 ARG 19 - H ALA 18 far 0 98 0 - 4.4-4.8 HB3 LEU 14 - H ASN 10 far 0 44 0 - 5.0-5.5 HB3 LYS 20 - H ALA 18 far 0 100 0 - 5.2-7.4 HB2 LYS 13 - H ASP 11 far 0 48 0 - 6.0-6.4 HB3 LEU 14 - H ALA 18 far 0 59 0 - 6.1-6.3 HB3 LYS 13 - H ALA 18 far 0 82 0 - 7.3-7.8 HB3 LYS 13 - H ASP 11 far 0 46 0 - 7.4-7.9 HB2 LYS 13 - H ASN 10 far 0 66 0 - 7.8-8.2 HB3 LYS 33 - H ASN 10 far 0 65 0 - 7.8-8.4 HB2 LYS 13 - H ALA 18 far 0 85 0 - 7.9-8.4 HB3 LYS 33 - H ASP 11 far 0 47 0 - 8.7-9.5 HB3 LYS 13 - H ASN 10 far 0 63 0 - 9.2-9.7 HB2 LYS 33 - H ASN 10 far 0 68 0 - 9.4-10.0 HB VAL 32 - H ASN 10 far 0 85 0 - 9.4-9.8 HB2 LYS 24 - H ALA 18 far 0 91 0 - 9.7-10.1 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 3 assignments used, quality = 0.99: * HB3 GLU 17 + H ALA 18 OK 99 100 100 99 2.5-2.9 6256/6259=62, 750=53...(11) HG12 ILE 93 - H ALA 18 far 0 75 0 - 6.7-7.2 HB3 GLU 17 - H ASP 11 far 0 64 0 - 9.1-10.1 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 4.2-5.3 757=100, 748/6269=98...(10) HG2 GLU 23 - H ALA 18 far 0 84 0 - 8.1-9.2 HG2 GLU 17 - H ASP 11 far 0 64 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 6271 from nnoeabs.peaks (2.43, 8.65, 122.44 ppm; 4.35 A): 2 out of 7 assignments used, quality = 0.93: HB2 ASP 11 + H ASN 10 OK 80 84 100 95 3.6-4.0 8360/4.0=43...(9) HB2 ASP 11 + H ASP 11 OK 64 64 100 100 2.2-2.4 4.0=100 ! HG3 GLU 17 - H ALA 18 far 10 100 10 - 4.5-5.1 HB3 MET 21 - H ALA 18 far 0 77 0 - 6.2-6.9 HG3 MET 21 - H ALA 18 far 0 79 0 - 6.2-7.0 HB2 ASP 11 - H ALA 18 far 0 100 0 - 8.8-10.0 HG3 GLU 17 - H ASP 11 far 0 64 0 - 9.5-12.0 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 - 5.0-5.3 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 7 assignments used, quality = 1.00: * QB ALA 18 + H ALA 18 OK 100 100 100 100 2.0-2.3 2.9=100 QB ALA 18 - H ASP 11 far 0 64 0 - 7.9-8.4 HB2 LEU 57 - H ALA 18 far 0 73 0 - 8.3-8.6 QG2 THR 84 - H ASN 10 far 0 78 0 - 8.4-9.2 QB ALA 18 - H ASN 10 far 0 85 0 - 8.4-8.9 QG2 THR 84 - H ASP 11 far 0 58 0 - 8.9-9.8 HB2 LEU 57 - H ASN 10 far 0 55 0 - 9.7-10.0 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 1 assignment used, quality = 1.00: * H ARG 19 + H ALA 18 OK 100 100 100 100 2.4-2.7 6281=100, 6283/2.9=59...(13) Violated in 0 structures by 0.00 A. Peak 6275 from nnoeabs.peaks (7.79, 8.65, 122.44 ppm; 4.49 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 20 + H ALA 18 OK 100 100 100 100 4.1-4.6 6291/6281=81, 6296=80...(10) H SER 9 + H ASN 10 OK 74 74 100 100 4.4-4.4 4.6=92, 2.9/333=78...(9) H SER 9 - H ASP 11 far 0 54 0 - 5.1-5.5 H SER 9 - H ALA 18 far 0 93 0 - 9.2-9.7 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 4.0-4.4 643/6283=82, 8434=81...(12) Violated in 0 structures by 0.00 A. Peak 6278 from nnoeabs.peaks (4.04, 8.90, 118.56 ppm; 3.64 A): 1 out of 3 assignments used, quality = 0.99: * HA GLU 16 + H ARG 19 OK 99 100 100 99 3.1-3.5 692=70, 798/6286=53...(18) HA GLU 17 - H ARG 19 far 0 99 0 - 4.2-4.8 HA LYS 20 - H ARG 19 far 0 100 0 - 5.2-5.4 Violated in 0 structures by 0.00 A. Peak 6279 from nnoeabs.peaks (8.06, 8.90, 118.56 ppm; 4.58 A increased from 4.31 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 17 + H ARG 19 OK 100 100 100 100 4.0-4.3 6260=100, 6259/6281=84...(7) H ILE 15 - H ARG 19 far 0 99 0 - 5.9-6.2 H LYS 90 - H ARG 19 far 0 95 0 - 7.6-7.9 H LYS 13 - H ARG 19 far 0 98 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 6280 from nnoeabs.peaks (4.05, 8.90, 118.56 ppm; 3.65 A): 1 out of 4 assignments used, quality = 0.99: HA GLU 16 + H ARG 19 OK 99 99 100 99 3.1-3.5 692=70, 798/6286=53...(18) ! HA GLU 17 - H ARG 19 far 0 100 0 - 4.2-4.8 HA LYS 20 - H ARG 19 far 0 100 0 - 5.2-5.4 HA PRO 86 - H ARG 19 far 0 63 0 - 7.5-7.8 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 2.4-2.7 6274=85, 2.9/6283=54...(13) 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...(11) 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 = 1.00: * QB ALA 18 + H ARG 19 OK 100 100 100 100 2.5-2.8 776=74, 2.9/6281=49...(19) HB2 LEU 57 - H ARG 19 far 0 73 0 - 9.4-9.9 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 24 70 35 99 3.5-3.6 3.6=75, 2.1/6283=66...(11) HA ALA 22 - H ARG 19 far 0 95 0 - 7.0-7.3 Violated in 0 structures by 0.00 A. Peak 6285 from nnoeabs.peaks (1.89, 8.90, 118.56 ppm; 2.94 A): 1 out of 9 assignments used, quality = 0.62: HB3 ARG 19 + H ARG 19 OK 62 63 100 97 2.2-2.6 1.8/789=46, 3.9=44...(18) ! HB2 ARG 19 - H ARG 19 far 0 100 0 - 3.5-3.6 HB2 LYS 20 - H ARG 19 far 0 100 0 - 5.3-6.4 HB VAL 5 - H ARG 19 far 0 75 0 - 7.5-8.4 HB3 LEU 14 - H ARG 19 far 0 99 0 - 7.8-8.2 HB2 LYS 12 - H ARG 19 far 0 81 0 - 8.6-9.0 HB3 LYS 13 - H ARG 19 far 0 90 0 - 9.0-9.6 HB2 LYS 13 - H ARG 19 far 0 87 0 - 9.7-10.1 HB3 LYS 12 - H ARG 19 far 0 84 0 - 10.0-10.3 Violated in 0 structures by 0.00 A. Peak 6286 from nnoeabs.peaks (1.93, 8.90, 118.56 ppm; 3.04 A): 1 out of 9 assignments used, quality = 0.99: * HB3 ARG 19 + H ARG 19 OK 99 100 100 99 2.2-2.6 799=55, 1.8/789=50...(17) HB2 ARG 19 - H ARG 19 far 0 63 0 - 3.5-3.6 HB3 LYS 20 - H ARG 19 far 0 100 0 - 4.6-6.3 HB2 GLU 17 - H ARG 19 far 0 98 0 - 5.4-5.9 HB3 LEU 14 - H ARG 19 far 0 82 0 - 7.8-8.2 HB2 LYS 24 - H ARG 19 far 0 71 0 - 8.7-9.3 HB3 LYS 13 - H ARG 19 far 0 96 0 - 9.0-9.6 HB2 LYS 13 - H ARG 19 far 0 98 0 - 9.7-10.1 HB3 LYS 24 - H ARG 19 far 0 71 0 - 10.0-11.0 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 4 assignments used, quality = 1.00: * HG2 ARG 19 + H ARG 19 OK 100 100 100 100 2.3-4.1 1.8/6288=89, 808=88...(22) HB3 LEU 29 - H ARG 19 far 0 99 0 - 5.5-6.3 HG3 LYS 90 - H ARG 19 far 0 100 0 - 6.3-7.1 HG2 LYS 24 - H ARG 19 far 0 100 0 - 9.3-12.2 Violated in 0 structures by 0.00 A. Peak 6288 from nnoeabs.peaks (1.76, 8.90, 118.56 ppm; 3.59 A): 1 out of 3 assignments used, quality = 1.00: * HG3 ARG 19 + H ARG 19 OK 100 100 100 100 2.3-2.9 3.0/6285=67, 1.8/6287=58...(21) HB ILE 15 - H ARG 19 far 0 75 0 - 5.5-5.9 HD2 LYS 90 - H ARG 19 far 0 91 0 - 8.4-9.3 Violated in 0 structures by 0.00 A. Peak 6289 from nnoeabs.peaks (3.18, 8.90, 118.56 ppm; 4.93 A increased from 4.38 A): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 19 + H ARG 19 OK 100 100 100 100 3.3-4.9 3.6/6285=89, 3.0/6288=88...(21) * HD2 ARG 19 + H ARG 19 OK 100 100 100 100 3.4-4.9 3.6/6285=89, 3.0/6288=88...(22) Violated in 0 structures by 0.00 A. Peak 6290 from nnoeabs.peaks (3.18, 8.90, 118.56 ppm; 4.93 A increased from 4.38 A): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 19 + H ARG 19 OK 100 100 100 100 3.3-4.9 3.6/6285=89, 3.0/6288=88...(21) HD2 ARG 19 + H ARG 19 OK 100 100 100 100 3.4-4.9 3.6/6285=89, 3.0/6288=88...(22) 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 2 assignments used, quality = 1.00: * H LYS 20 + H ARG 19 OK 100 100 100 100 2.6-2.9 6298=93, 4.1/6285=37...(18) H SER 9 - H ARG 19 far 0 93 0 - 9.6-10.3 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 3.9-4.6 6315/6291=84, 6320=81...(8) H ALA 25 - H ARG 19 far 0 84 0 - 9.3-9.6 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): 2 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 36 100 40 89 3.2-4.8 6278/6291=41, 732=33...(14) HA GLU 17 - H LYS 20 far 5 99 5 - 3.4-4.3 Violated in 0 structures by 0.00 A. Peak 6295 from nnoeabs.peaks (4.05, 7.79, 118.64 ppm; 3.04 A): 1 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 far 10 99 10 - 3.2-4.8 ! HA GLU 17 - H LYS 20 far 0 100 0 - 3.4-4.3 HA PRO 86 - H LYS 20 far 0 63 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 6296 from nnoeabs.peaks (8.65, 7.79, 118.64 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 18 + H LYS 20 OK 100 100 100 100 4.1-4.6 6281/6291=88...(10) Violated in 0 structures by 0.00 A. Peak 6297 from nnoeabs.peaks (3.77, 7.79, 118.64 ppm; 4.09 A): 1 out of 2 assignments used, quality = 0.70: HA ARG 19 + H LYS 20 OK 70 70 100 100 3.5-3.6 3.6=100 ! HA ALA 18 - H LYS 20 far 5 100 5 - 4.1-5.1 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 2.6-2.9 6291=100, 6285/4.1=39...(18) Violated in 0 structures by 0.00 A. Peak 6299 from nnoeabs.peaks (3.81, 7.79, 118.64 ppm; 4.00 A): 1 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 far 3 70 5 - 4.1-5.1 HA ALA 22 - H LYS 20 far 0 95 0 - 6.7-7.2 Violated in 0 structures by 0.00 A. Peak 6300 from nnoeabs.peaks (1.89, 7.79, 118.64 ppm; 3.00 A): 2 out of 6 assignments used, quality = 0.73: HB3 ARG 19 + H LYS 20 OK 58 63 100 91 2.2-2.9 6285/6291=44, 4.1=39...(14) * HB2 ARG 19 + H LYS 20 OK 35 100 40 88 2.9-3.7 797=40, 789/6291=34...(15) HB2 LYS 20 - H LYS 20 far 15 100 15 - 2.6-3.6 HB VAL 5 - H LYS 20 far 0 75 0 - 9.1-9.7 HB2 LYS 12 - H LYS 20 far 0 81 0 - 9.2-10.5 HB3 LEU 14 - H LYS 20 far 0 99 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 6301 from nnoeabs.peaks (1.93, 7.79, 118.64 ppm; 2.89 A): 2 out of 7 assignments used, quality = 0.98: * HB3 ARG 19 + H LYS 20 OK 91 100 100 91 2.2-2.9 6286/6291=40, 1.8/797=35...(15) HB3 LYS 20 + H LYS 20 OK 80 100 85 94 2.3-3.6 871=62, 6325/6315=34...(10) HB2 ARG 19 - H LYS 20 poor 16 63 25 - 2.9-3.7 HB2 GLU 17 - H LYS 20 far 0 98 0 - 5.1-6.3 HB2 LYS 24 - H LYS 20 far 0 71 0 - 6.6-7.8 HB3 LYS 24 - H LYS 20 far 0 71 0 - 8.0-9.3 HB3 LEU 14 - H LYS 20 far 0 82 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 6302 from nnoeabs.peaks (1.58, 7.79, 118.64 ppm; 5.01 A increased from 4.71 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 19 + H LYS 20 OK 100 100 100 100 4.0-5.1 4.9=100 HG3 LYS 90 - H LYS 20 far 0 100 0 - 5.6-6.8 HB3 LEU 29 - H LYS 20 far 0 99 0 - 6.4-7.1 HG2 LYS 24 - H LYS 20 far 0 100 0 - 6.9-10.4 Violated in 2 structures by 0.01 A. Peak 6303 from nnoeabs.peaks (1.76, 7.79, 118.64 ppm; 4.83 A increased from 4.30 A): 1 out of 3 assignments used, quality = 1.00: * HG3 ARG 19 + H LYS 20 OK 100 100 100 100 4.3-4.6 4.9=95, 6288/6291=83...(13) HB ILE 15 - H LYS 20 far 0 75 0 - 7.3-8.1 HD2 LYS 90 - H LYS 20 far 0 91 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 6304 from nnoeabs.peaks (3.18, 7.79, 118.64 ppm; 6.35 A increased from 5.08 A): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 19 + H LYS 20 OK 100 100 100 100 4.4-6.2 3.6/797=96, 3.0/6303=94...(14) * HD2 ARG 19 + H LYS 20 OK 100 100 100 100 4.9-6.5 3.6/797=96, 3.0/6303=94...(13) Violated in 0 structures by 0.00 A. Peak 6305 from nnoeabs.peaks (3.18, 7.79, 118.64 ppm; 6.35 A increased from 5.08 A): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 19 + H LYS 20 OK 100 100 100 100 4.4-6.2 3.6/797=96, 3.0/6303=94...(14) HD2 ARG 19 + H LYS 20 OK 100 100 100 100 4.9-6.5 3.6/797=96, 3.0/6303=94...(13) Violated in 0 structures by 0.00 A. Peak 6306 from nnoeabs.peaks (4.05, 7.79, 118.64 ppm; 3.04 A): 1 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 far 10 100 10 - 3.2-4.8 HA GLU 17 - H LYS 20 far 0 100 0 - 3.4-4.3 HA PRO 86 - H LYS 20 far 0 61 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 6307 from nnoeabs.peaks (1.89, 7.79, 118.64 ppm; 3.56 A increased from 3.00 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 20 + H LYS 20 OK 100 100 100 100 2.6-3.6 1.8/871=77, 4.0=68...(11) HB2 ARG 19 + H LYS 20 OK 98 100 100 98 2.9-3.7 797=66, 789/6291=49...(15) HB VAL 5 - H LYS 20 far 0 81 0 - 9.1-9.7 HB2 LYS 12 - H LYS 20 far 0 85 0 - 9.2-10.5 HB3 LEU 14 - H LYS 20 far 0 98 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 6308 from nnoeabs.peaks (1.93, 7.79, 118.64 ppm; 2.89 A): 2 out of 6 assignments used, quality = 0.98: HB3 ARG 19 + H LYS 20 OK 91 100 100 91 2.2-2.9 6286/6291=40, 1.8/797=35...(15) * HB3 LYS 20 + H LYS 20 OK 80 100 85 94 2.3-3.6 871=62, 6325/6315=35...(10) HB2 GLU 17 - H LYS 20 far 0 100 0 - 5.1-6.3 HB2 LYS 24 - H LYS 20 far 0 81 0 - 6.6-7.8 HB3 LYS 24 - H LYS 20 far 0 81 0 - 8.0-9.3 HB3 LEU 14 - H LYS 20 far 0 73 0 - 9.9-10.3 Violated in 0 structures by 0.00 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 1.8-3.7 882=73, 1.8/893=68...(10) QB ALA 22 - H LYS 20 far 0 90 0 - 4.4-5.1 HG LEU 29 - H LYS 20 far 0 90 0 - 7.7-8.2 HG12 ILE 7 - H LYS 20 far 0 71 0 - 9.4-9.9 HB2 LEU 27 - H LYS 20 far 0 100 0 - 9.6-10.4 HG2 LYS 12 - H LYS 20 far 0 98 0 - 9.7-11.8 Violated in 3 structures by 0.00 A. Peak 6310 from nnoeabs.peaks (1.67, 7.79, 118.64 ppm; 3.68 A increased from 3.10 A): 3 out of 11 assignments used, quality = 1.00: * HG3 LYS 20 + H LYS 20 OK 100 100 100 100 1.9-3.9 893=83, 1.8/6309=73...(13) HD2 LYS 20 + H LYS 20 OK 84 100 85 99 2.6-4.3 2.8/6309=58, 2.8/893=54...(14) HD3 LYS 20 + H LYS 20 OK 59 100 60 99 1.9-4.6 2.8/6309=58, 2.8/893=54...(13) HD3 LYS 24 - H LYS 20 far 0 90 0 - 5.7-10.5 HD2 LYS 24 - H LYS 20 far 0 91 0 - 6.1-9.3 HD3 LYS 90 - H LYS 20 far 0 90 0 - 6.7-8.9 HG12 ILE 15 - H LYS 20 far 0 93 0 - 8.8-9.3 HD3 LYS 12 - H LYS 20 far 0 84 0 - 8.9-13.1 HD2 LYS 12 - H LYS 20 far 0 84 0 - 9.2-12.3 HD3 LYS 13 - H LYS 20 far 0 81 0 - 9.2-12.6 HD2 LYS 13 - H LYS 20 far 0 84 0 - 9.3-13.0 Violated in 0 structures by 0.00 A. Peak 6311 from nnoeabs.peaks (1.68, 7.79, 118.64 ppm; 3.68 A increased from 3.10 A): 3 out of 11 assignments used, quality = 1.00: HG3 LYS 20 + H LYS 20 OK 100 100 100 100 1.9-3.9 893=83, 1.8/6309=73...(13) * HD2 LYS 20 + H LYS 20 OK 84 100 85 99 2.6-4.3 2.8/6309=58, 2.8/893=54...(15) HD3 LYS 20 + H LYS 20 OK 59 100 60 99 1.9-4.6 2.8/6309=58, 2.8/893=54...(13) HD3 LYS 24 - H LYS 20 far 0 93 0 - 5.7-10.5 HD2 LYS 24 - H LYS 20 far 0 94 0 - 6.1-9.3 HD3 LYS 90 - H LYS 20 far 0 93 0 - 6.7-8.9 HG12 ILE 15 - H LYS 20 far 0 96 0 - 8.8-9.3 HD3 LYS 12 - H LYS 20 far 0 88 0 - 8.9-13.1 HD2 LYS 12 - H LYS 20 far 0 88 0 - 9.2-12.3 HD3 LYS 13 - H LYS 20 far 0 85 0 - 9.2-12.6 HD2 LYS 13 - H LYS 20 far 0 88 0 - 9.3-13.0 Violated in 0 structures by 0.00 A. Peak 6312 from nnoeabs.peaks (1.67, 7.79, 118.64 ppm; 3.68 A increased from 3.10 A): 3 out of 11 assignments used, quality = 1.00: HG3 LYS 20 + H LYS 20 OK 100 100 100 100 1.9-3.9 893=83, 1.8/6309=73...(13) HD2 LYS 20 + H LYS 20 OK 84 100 85 99 2.6-4.3 2.8/6309=58, 2.8/893=54...(14) * HD3 LYS 20 + H LYS 20 OK 59 100 60 99 1.9-4.6 2.8/6309=58, 2.8/893=54...(13) HD3 LYS 24 - H LYS 20 far 0 90 0 - 5.7-10.5 HD2 LYS 24 - H LYS 20 far 0 91 0 - 6.1-9.3 HD3 LYS 90 - H LYS 20 far 0 90 0 - 6.7-8.9 HG12 ILE 15 - H LYS 20 far 0 93 0 - 8.8-9.3 HD3 LYS 12 - H LYS 20 far 0 84 0 - 8.9-13.1 HD2 LYS 12 - H LYS 20 far 0 84 0 - 9.2-12.3 HD3 LYS 13 - H LYS 20 far 0 81 0 - 9.2-12.6 HD2 LYS 13 - H LYS 20 far 0 84 0 - 9.3-13.0 Violated in 0 structures by 0.00 A. Peak 6313 from nnoeabs.peaks (2.91, 7.79, 118.64 ppm; 5.25 A increased from 4.67 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 20 + H LYS 20 OK 100 100 100 100 3.1-5.5 3.6/6309=85, 3.6/893=82...(13) HE3 LYS 20 + H LYS 20 OK 95 100 95 100 4.1-5.6 3.6/6309=85, 3.6/893=82...(15) HG2 MET 21 - H LYS 20 far 0 81 0 - 6.1-7.0 HE3 LYS 90 - H LYS 20 far 0 87 0 - 6.5-8.2 Violated in 0 structures by 0.00 A. Peak 6314 from nnoeabs.peaks (2.91, 7.79, 118.64 ppm; 5.25 A increased from 4.67 A): 2 out of 4 assignments used, quality = 1.00: HE2 LYS 20 + H LYS 20 OK 100 100 100 100 3.1-5.5 3.6/6309=85, 3.6/893=82...(13) * HE3 LYS 20 + H LYS 20 OK 95 100 95 100 4.1-5.6 3.6/6309=85, 3.6/893=82...(15) HG2 MET 21 - H LYS 20 far 0 82 0 - 6.1-7.0 HE3 LYS 90 - H LYS 20 far 0 88 0 - 6.5-8.2 Violated in 0 structures by 0.00 A. Peak 6315 from nnoeabs.peaks (7.68, 7.79, 118.64 ppm; 3.20 A): 1 out of 2 assignments used, quality = 1.00: * H MET 21 + H LYS 20 OK 100 100 100 100 2.8-3.0 6322=96, 6325/871=41...(16) H ALA 25 - H LYS 20 far 0 84 0 - 8.0-8.5 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 4.0-4.5 6343=100, 6345/6315=87...(10) Violated in 0 structures by 0.00 A. Peak 6317 from nnoeabs.peaks (7.68, 7.68, 118.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H MET 21 + H MET 21 OK 100 100 - 100 Peak 6318 from nnoeabs.peaks (4.05, 7.68, 118.10 ppm; 3.82 A): 1 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 poor 19 100 30 62 4.0-4.4 8492/6319=30...(7) HA GLU 16 - H MET 21 far 0 99 0 - 5.8-7.4 HA PRO 86 - H MET 21 far 0 63 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 6319 from nnoeabs.peaks (3.77, 7.68, 118.10 ppm; 4.13 A increased from 3.89 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 18 + H MET 21 OK 100 100 100 100 3.6-4.0 769=99, 770/6333=65...(13) HA ARG 19 - H MET 21 poor 14 70 20 - 4.1-5.0 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 3.9-4.6 6292=100, 6291/6315=90...(8) Violated in 0 structures by 0.00 A. Peak 6321 from nnoeabs.peaks (3.81, 7.68, 118.10 ppm; 4.08 A): 1 out of 3 assignments used, quality = 0.69: HA ALA 18 + H MET 21 OK 69 70 100 99 3.6-4.0 769=58, 2.1/8560=51...(13) ! HA ARG 19 - H MET 21 far 10 100 10 - 4.1-5.0 HA ALA 22 - H MET 21 far 0 95 0 - 5.2-5.4 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 1 assignment used, quality = 1.00: * H LYS 20 + H MET 21 OK 100 100 100 100 2.8-3.0 6315=100, 871/6325=42...(16) Violated in 0 structures by 0.00 A. Peak 6323 from nnoeabs.peaks (4.05, 7.68, 118.10 ppm; 3.82 A): 1 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 poor 19 100 30 62 4.0-4.4 8492/6319=30...(7) HA GLU 16 - H MET 21 far 0 100 0 - 5.8-7.4 HA PRO 86 - H MET 21 far 0 61 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 6324 from nnoeabs.peaks (1.89, 7.68, 118.10 ppm; 3.89 A increased from 3.66 A): 1 out of 4 assignments used, quality = 0.97: * HB2 LYS 20 + H MET 21 OK 97 100 100 97 3.0-3.9 869=60, 4.0/6315=53...(10) HB2 ARG 19 - H MET 21 far 0 100 0 - 5.2-6.1 HB2 LYS 94 - H MET 21 far 0 71 0 - 7.9-9.7 HB VAL 5 - H MET 21 far 0 81 0 - 8.5-9.3 Violated in 3 structures by 0.00 A. Peak 6325 from nnoeabs.peaks (1.93, 7.68, 118.10 ppm; 3.48 A): 1 out of 6 assignments used, quality = 0.93: * HB3 LYS 20 + H MET 21 OK 93 100 100 93 2.2-3.5 871/6315=52, 881=50...(10) HB2 LYS 24 - H MET 21 far 0 81 0 - 4.5-5.4 HB3 ARG 19 - H MET 21 far 0 100 0 - 4.7-5.6 HB2 GLU 17 - H MET 21 far 0 100 0 - 5.0-5.6 HB3 LYS 24 - H MET 21 far 0 81 0 - 6.1-7.1 HB2 LYS 94 - H MET 21 far 0 98 0 - 7.9-9.7 Violated in 3 structures by 0.00 A. Peak 6326 from nnoeabs.peaks (1.46, 7.68, 118.10 ppm; 4.56 A increased from 4.05 A): 2 out of 5 assignments used, quality = 0.92: QB ALA 22 + H MET 21 OK 89 90 100 100 4.1-4.4 2.9/6345=90, 3.6/6339=53...(13) * HG2 LYS 20 + H MET 21 OK 25 100 25 100 1.9-5.2 3.0/6325=83, 3.0/6324=76...(10) HG LEU 29 - H MET 21 far 0 90 0 - 8.0-8.6 HB2 LEU 27 - H MET 21 far 0 100 0 - 8.3-9.2 HG12 ILE 7 - H MET 21 far 0 71 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 6327 from nnoeabs.peaks (1.67, 7.68, 118.10 ppm; 4.50 A increased from 4.00 A): 3 out of 6 assignments used, quality = 0.99: * HG3 LYS 20 + H MET 21 OK 95 100 95 100 2.4-4.8 3.0/6325=82, 3.0/6324=75...(10) HD3 LYS 20 + H MET 21 OK 64 100 65 99 3.8-5.9 3.5/6325=73, 3.5/6324=66...(11) HD2 LYS 20 + H MET 21 OK 35 100 35 99 4.2-6.2 3.5/6325=73, 3.5/6324=66...(10) HD3 LYS 24 - H MET 21 poor 18 90 20 - 4.5-8.1 HD2 LYS 24 - H MET 21 far 5 91 5 - 4.2-6.8 HD3 LYS 90 - H MET 21 far 0 90 0 - 5.9-7.1 Violated in 0 structures by 0.00 A. Peak 6328 from nnoeabs.peaks (1.68, 7.68, 118.10 ppm; 4.50 A increased from 4.00 A): 3 out of 6 assignments used, quality = 0.99: HG3 LYS 20 + H MET 21 OK 95 100 95 100 2.4-4.8 3.0/6325=82, 3.0/6324=75...(10) HD3 LYS 20 + H MET 21 OK 64 100 65 99 3.8-5.9 3.5/6325=73, 3.5/6324=66...(11) * HD2 LYS 20 + H MET 21 OK 35 100 35 99 4.2-6.2 3.5/6325=73, 3.5/6324=66...(10) HD3 LYS 24 - H MET 21 poor 19 93 20 - 4.5-8.1 HD2 LYS 24 - H MET 21 far 5 94 5 - 4.2-6.8 HD3 LYS 90 - H MET 21 far 0 93 0 - 5.9-7.1 Violated in 0 structures by 0.00 A. Peak 6329 from nnoeabs.peaks (1.67, 7.68, 118.10 ppm; 4.50 A increased from 4.00 A): 3 out of 6 assignments used, quality = 0.99: HG3 LYS 20 + H MET 21 OK 95 100 95 100 2.4-4.8 3.0/6325=82, 3.0/6324=75...(10) * HD3 LYS 20 + H MET 21 OK 64 100 65 99 3.8-5.9 3.5/6325=73, 3.5/6324=66...(11) HD2 LYS 20 + H MET 21 OK 35 100 35 99 4.2-6.2 3.5/6325=73, 3.5/6324=66...(10) HD3 LYS 24 - H MET 21 poor 18 90 20 - 4.5-8.1 HD2 LYS 24 - H MET 21 far 5 91 5 - 4.2-6.8 HD3 LYS 90 - H MET 21 far 0 90 0 - 5.9-7.1 Violated in 0 structures by 0.00 A. Peak 6330 from nnoeabs.peaks (2.91, 7.68, 118.10 ppm; 4.19 A): 1 out of 6 assignments used, quality = 0.81: HG2 MET 21 + H MET 21 OK 81 81 100 100 3.7-4.2 3.0/6333=80, 977=66...(15) ! HE2 LYS 20 - H MET 21 far 15 100 15 - 3.8-6.9 HE3 LYS 20 - H MET 21 far 5 100 5 - 4.1-7.2 HE3 LYS 90 - H MET 21 far 0 87 0 - 5.6-6.4 HE3 LYS 94 - H MET 21 far 0 100 0 - 9.8-12.1 HE2 LYS 94 - H MET 21 far 0 99 0 - 9.8-12.4 Violated in 3 structures by 0.00 A. Peak 6331 from nnoeabs.peaks (2.91, 7.68, 118.10 ppm; 4.19 A): 1 out of 6 assignments used, quality = 0.82: HG2 MET 21 + H MET 21 OK 82 82 100 100 3.7-4.2 3.0/6333=80, 977=68...(15) HE2 LYS 20 - H MET 21 far 15 100 15 - 3.8-6.9 ! HE3 LYS 20 - H MET 21 far 5 100 5 - 4.1-7.2 HE3 LYS 90 - H MET 21 far 0 88 0 - 5.6-6.4 HE3 LYS 94 - H MET 21 far 0 100 0 - 9.8-12.1 HE2 LYS 94 - H MET 21 far 0 100 0 - 9.8-12.4 Violated in 3 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 2.8-2.9 3.0=100 HA ALA 25 - H MET 21 far 0 100 0 - 8.6-9.2 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 2.1-2.1 960=61, 6347/6345=44...(13) HG12 ILE 93 - H MET 21 far 0 98 0 - 5.9-7.1 HB2 GLU 23 - H MET 21 far 0 65 0 - 6.7-7.3 HB2 GLU 16 - H MET 21 far 0 85 0 - 6.9-7.7 HB3 LYS 94 - H MET 21 far 0 81 0 - 7.5-8.4 Violated in 0 structures by 0.00 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 3.3-3.4 4.0=95, 1.8/6333=94...(12) HG3 MET 21 + H MET 21 OK 99 100 100 99 3.2-3.6 3.0/6333=74, 1.8/6330=70...(12) HG3 GLU 17 - H MET 21 far 0 77 0 - 6.1-7.8 Violated in 0 structures by 0.00 A. Peak 6335 from nnoeabs.peaks (2.94, 7.68, 118.10 ppm; 4.24 A increased from 3.99 A): 1 out of 8 assignments used, quality = 1.00: * HG2 MET 21 + H MET 21 OK 100 100 100 100 3.7-4.2 977=93, 3.0/6333=81...(15) HE2 LYS 20 - H MET 21 poor 16 81 20 - 3.8-6.9 HE3 LYS 24 - H MET 21 far 4 90 5 - 4.2-9.5 HE3 LYS 20 - H MET 21 far 4 82 5 - 4.1-7.2 HE2 LYS 24 - H MET 21 far 0 90 0 - 5.1-9.2 HE3 LYS 90 - H MET 21 far 0 100 0 - 5.6-6.4 HE3 LYS 94 - H MET 21 far 0 79 0 - 9.8-12.1 HE2 LYS 94 - H MET 21 far 0 92 0 - 9.8-12.4 Violated in 0 structures by 0.00 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 3.3-3.4 4.0=95, 1.8/6333=94...(12) * HG3 MET 21 + H MET 21 OK 99 100 100 99 3.2-3.6 3.0/6333=74, 1.8/6330=70...(12) HG3 GLU 17 - H MET 21 far 0 79 0 - 6.1-7.8 Violated in 0 structures by 0.00 A. Peak 6337 from nnoeabs.peaks (2.10, 7.68, 118.10 ppm; 3.43 A): 0 out of 5 assignments used, quality = 0.00: ! QE MET 21 - H MET 21 far 0 100 0 - 4.2-4.4 HB2 GLU 23 - H MET 21 far 0 98 0 - 6.7-7.3 HB2 GLU 16 - H MET 21 far 0 88 0 - 6.9-7.7 HB3 PRO 86 - H MET 21 far 0 100 0 - 7.9-8.6 HB2 PRO 86 - H MET 21 far 0 91 0 - 8.5-9.2 Violated in 20 structures by 0.88 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 2.6-2.8 6345=100, 6347/6333=46...(16) 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 4.0-4.4 6354/6345=90, 855/3.6=71...(8) H LYS 94 - H MET 21 far 0 98 0 - 7.5-8.2 H LEU 27 - H MET 21 far 0 68 0 - 8.4-8.9 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; 3.68 A increased from 3.46 A): 1 out of 2 assignments used, quality = 0.65: HA ARG 19 + H ALA 22 OK 65 70 100 93 3.4-3.8 786=38, 3.6/6343=38...(11) ! HA ALA 18 - H ALA 22 poor 20 100 20 98 3.9-4.2 770/6347=50...(11) Violated in 3 structures by 0.01 A. Peak 6342 from nnoeabs.peaks (3.81, 8.81, 122.15 ppm; 3.14 A): 1 out of 4 assignments used, quality = 0.95: HA ALA 22 + H ALA 22 OK 95 95 100 100 2.8-2.8 3.0=100 ! HA ARG 19 - H ALA 22 far 5 100 5 - 3.4-3.8 HA ALA 18 - H ALA 22 far 0 70 0 - 3.9-4.2 HA SER 97 - H ALA 22 far 0 100 0 - 9.6-10.5 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 2 assignments used, quality = 1.00: * H LYS 20 + H ALA 22 OK 100 100 100 100 4.0-4.5 6316=89, 6315/6345=84...(10) H GLU 28 - H ALA 22 far 0 100 0 - 8.7-9.3 Violated in 2 structures by 0.00 A. Peak 6344 from nnoeabs.peaks (4.05, 8.81, 122.15 ppm; 4.91 A increased from 4.62 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 20 + H ALA 22 OK 100 100 100 100 4.5-4.9 3.6/6345=87, 855/6354=76...(6) HA GLU 17 - H ALA 22 far 0 100 0 - 6.3-6.8 HA GLU 16 - H ALA 22 far 0 100 0 - 7.1-8.2 HA PRO 86 - H ALA 22 far 0 61 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 6345 from nnoeabs.peaks (7.68, 8.81, 122.15 ppm; 3.08 A): 1 out of 2 assignments used, quality = 0.99: * H MET 21 + H ALA 22 OK 99 100 100 99 2.6-2.8 6338=88, 6333/6347=42...(16) H ALA 25 - H ALA 22 far 0 84 0 - 4.7-5.0 Violated in 0 structures by 0.00 A. Peak 6346 from nnoeabs.peaks (4.41, 8.81, 122.15 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 21 + H ALA 22 OK 100 100 100 100 3.5-3.6 3.6=100 HA ALA 25 - H ALA 22 far 0 100 0 - 7.1-7.7 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 6 assignments used, quality = 0.96: * HB2 MET 21 + H ALA 22 OK 96 100 100 96 2.8-3.0 6333/6345=55, 967=49...(15) HG12 ILE 93 - H ALA 22 far 0 98 0 - 4.1-5.3 HB2 GLU 23 - H ALA 22 far 0 65 0 - 6.3-6.4 HB3 LYS 94 - H ALA 22 far 0 81 0 - 7.2-8.0 HB2 GLU 16 - H ALA 22 far 0 85 0 - 8.9-9.6 HG3 GLU 28 - H ALA 22 far 0 98 0 - 9.9-11.9 Violated in 0 structures by 0.00 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 2.8-3.0 4.6=100 HG3 MET 21 + H ALA 22 OK 100 100 100 100 4.8-4.9 3.0/6347=90, 1.8/984=74...(16) HG3 GLU 17 - H ALA 22 far 0 77 0 - 8.6-9.8 Violated in 0 structures by 0.00 A. Peak 6349 from nnoeabs.peaks (2.94, 8.81, 122.15 ppm; 5.37 A increased from 4.77 A): 1 out of 8 assignments used, quality = 1.00: * HG2 MET 21 + H ALA 22 OK 100 100 100 100 4.9-5.1 984=100, 3.0/6347=97...(18) HE3 LYS 24 - H ALA 22 far 4 90 5 - 5.5-9.9 HE2 LYS 20 - H ALA 22 far 0 81 0 - 6.3-9.2 HE2 LYS 24 - H ALA 22 far 0 90 0 - 6.7-9.9 HE3 LYS 20 - H ALA 22 far 0 82 0 - 6.8-9.6 HE3 LYS 90 - H ALA 22 far 0 100 0 - 7.9-8.7 HE3 LYS 94 - H ALA 22 far 0 79 0 - 9.4-12.1 HE2 LYS 94 - H ALA 22 far 0 92 0 - 9.7-12.1 Violated in 0 structures by 0.00 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 2.8-3.0 4.6=100 * HG3 MET 21 + H ALA 22 OK 100 100 100 100 4.8-4.9 3.0/6347=90, 1.8/984=74...(16) HG3 GLU 17 - H ALA 22 far 0 79 0 - 8.6-9.8 Violated in 0 structures by 0.00 A. Peak 6351 from nnoeabs.peaks (2.10, 8.81, 122.15 ppm; 4.12 A increased from 3.66 A): 1 out of 5 assignments used, quality = 1.00: * QE MET 21 + H ALA 22 OK 100 100 100 100 3.8-3.9 954/3.6=59, 8542/3.0=57...(15) HB2 GLU 23 - H ALA 22 far 0 98 0 - 6.3-6.4 HB2 GLU 16 - H ALA 22 far 0 88 0 - 8.9-9.6 HB3 PRO 86 - H ALA 22 far 0 100 0 - 9.8-10.4 HG3 GLU 28 - H ALA 22 far 0 68 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 6352 from nnoeabs.peaks (3.83, 8.81, 122.15 ppm; 3.14 A): 1 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 far 5 95 5 - 3.4-3.8 HA LYS 94 - H ALA 22 far 0 59 0 - 7.1-7.8 HA SER 97 - H ALA 22 far 0 99 0 - 9.6-10.5 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 = 0.98: * QB ALA 22 + H ALA 22 OK 98 100 100 98 2.0-2.2 2.9=85, 6363/6354=32...(17) HG2 LYS 20 - H ALA 22 far 0 90 0 - 4.6-7.3 HB2 LEU 27 - H ALA 22 far 0 90 0 - 5.6-6.5 HG LEU 29 - H ALA 22 far 0 100 0 - 6.2-6.5 HG12 ILE 7 - H ALA 22 far 0 99 0 - 8.9-9.6 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 2.8-2.9 6361=81, 6363/6353=53...(15) H LEU 27 - H ALA 22 far 0 68 0 - 6.1-6.5 H LYS 94 - H ALA 22 far 0 98 0 - 6.6-7.4 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 4.0-4.2 6374=100, 6376/6354=88...(11) 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 3 assignments used, quality = 0.98: 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 67 100 70 95 3.8-4.7 786/6354=52, 787/6363=46...(8) HA ALA 18 - H GLU 23 far 0 70 0 - 6.5-6.9 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 3.6-3.9 855=100, 6344/6354=45...(7) HA GLU 16 - H GLU 23 far 0 100 0 - 7.9-8.9 HA GLU 17 - H GLU 23 far 0 100 0 - 8.1-8.4 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 4.0-4.4 6345/6354=79, 6339=69...(8) H ALA 25 + H GLU 23 OK 83 84 100 99 3.9-4.1 6397/6376=59...(10) Violated in 0 structures by 0.00 A. Peak 6360 from nnoeabs.peaks (4.41, 8.28, 117.00 ppm; 5.03 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 21 + H GLU 23 OK 100 100 100 100 4.3-4.6 3.6/6354=87, 8532=84...(9) HA ALA 25 - H GLU 23 far 0 100 0 - 6.8-7.0 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 2.8-2.9 6354=100, 6353/6363=60...(15) 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 3 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 63 95 70 95 3.8-4.7 786/6354=48, 787/6363=42...(8) HA LYS 94 - H GLU 23 far 0 59 0 - 8.5-9.2 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 2.5-2.7 3.6=79, 6353/6354=56...(18) HB2 LEU 27 - H GLU 23 far 0 90 0 - 5.6-6.4 HG2 LYS 20 - H GLU 23 far 0 90 0 - 5.7-6.7 HG LEU 29 - H GLU 23 far 0 100 0 - 7.1-7.6 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 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 6365 from nnoeabs.peaks (2.09, 8.28, 117.00 ppm; 3.78 A increased from 3.36 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLU 23 + H GLU 23 OK 100 100 100 100 3.6-3.6 1020=100, 1.8/6366=87...(8) QE MET 21 - H GLU 23 far 0 98 0 - 5.0-5.2 HB2 MET 21 - H GLU 23 far 0 65 0 - 5.2-5.4 HG3 GLU 28 - H GLU 23 far 0 88 0 - 8.5-10.6 HG2 GLU 28 - H GLU 23 far 0 88 0 - 8.9-10.9 HB2 GLU 16 - H GLU 23 far 0 99 0 - 10.0-10.6 Violated in 0 structures by 0.00 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 2.5-2.7 1028=86, 1.8/1020=59...(10) HB3 GLU 16 - H GLU 23 far 0 98 0 - 8.9-11.2 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 2.3-3.1 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 2.1-2.9 1042=100, 2.9/6366=67...(11) 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 2.5-2.7 6376=100, 1034/6366=45...(13) 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 3.9-4.1 6397/6376=81...(10) H MET 21 + H GLU 23 OK 83 84 100 99 4.0-4.4 6339=65, 6338/6354=64...(8) 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; 4.12 A increased from 3.66 A): 1 out of 6 assignments used, quality = 0.55: HA PRO 86 + H GLU 88 OK 55 61 95 96 3.9-4.4 3.5/7386=63, 4.8/8600=29...(14) ! HA LYS 20 - H LYS 24 far 5 100 5 - 4.4-5.0 HA GLU 17 - H LYS 24 far 0 100 0 - 8.7-9.1 HA GLU 17 - H GLU 88 far 0 100 0 - 9.1-9.7 HB3 SER 59 - H GLU 88 far 0 96 0 - 9.2-11.4 HA GLU 16 - H LYS 24 far 0 100 0 - 9.8-10.6 Violated in 1 structures by 0.02 A. Peak 6373 from nnoeabs.peaks (4.41, 7.57, 119.96 ppm; 3.84 A): 1 out of 3 assignments used, quality = 0.99: * HA MET 21 + H LYS 24 OK 99 100 100 99 3.2-3.6 1060/1073=67, 956=65...(12) HA ALA 25 - H LYS 24 far 0 100 0 - 5.0-5.2 HB THR 84 - H GLU 88 far 0 78 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. Peak 6374 from nnoeabs.peaks (8.81, 7.57, 119.96 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 22 + H LYS 24 OK 100 100 100 100 4.0-4.2 6355=98, 6354/6376=87...(11) 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 4.0-4.3 3.6/6376=87...(11) HA ARG 19 - H LYS 24 far 0 95 0 - 6.4-7.0 HA LYS 94 - H LYS 24 far 0 59 0 - 7.3-8.1 HA SER 97 - H LYS 24 far 0 99 0 - 9.8-10.6 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 2.5-2.7 6369=85, 6366/1034=40...(13) H LEU 27 - H LYS 24 far 0 68 0 - 5.0-5.4 H LYS 94 - H LYS 24 far 0 98 0 - 8.1-8.9 H LYS 94 - H GLU 88 far 0 97 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 6377 from nnoeabs.peaks (4.15, 7.57, 119.96 ppm; 3.70 A increased from 3.48 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 23 + H LYS 24 OK 100 100 100 100 3.5-3.5 3.6=100 HB2 SER 59 - H GLU 88 far 0 97 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 6378 from nnoeabs.peaks (2.09, 7.57, 119.96 ppm; 3.62 A increased from 2.89 A): 2 out of 9 assignments used, quality = 0.99: HB3 GLU 88 + H GLU 88 OK 99 99 100 100 3.6-3.6 3879=86, 1.8/7393=78...(12) * HB2 GLU 23 + H LYS 24 OK 44 100 45 97 3.8-4.0 1.8/1034=63, 1026=57...(7) QE MET 21 - H LYS 24 far 10 98 10 - 3.9-4.2 HB VAL 83 - H GLU 88 far 0 83 0 - 4.3-4.6 HB3 PRO 86 - H GLU 88 far 0 93 0 - 5.0-5.4 HB2 MET 21 - H LYS 24 far 0 65 0 - 5.5-5.7 HB2 PRO 86 - H GLU 88 far 0 71 0 - 5.6-6.0 QE MET 21 - H GLU 88 far 0 97 0 - 9.0-9.6 HB2 MET 21 - H GLU 88 far 0 65 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 6379 from nnoeabs.peaks (2.15, 7.57, 119.96 ppm; 3.05 A): 2 out of 3 assignments used, quality = 0.97: * HB3 GLU 23 + H LYS 24 OK 89 100 100 89 2.7-2.9 1034=45, 6366/6376=40...(8) HG2 GLU 88 + H GLU 88 OK 76 97 80 97 1.9-4.0 3886=47, 3.0/7393=42...(12) HB2 PRO 86 - H GLU 88 far 0 69 0 - 5.6-6.0 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 4.2-4.6 1041=81, 2.9/1034=76...(7) HG2 GLU 17 - H GLU 88 far 0 83 0 - 6.8-9.0 HD3 ARG 81 - H GLU 88 far 0 61 0 - 9.6-12.8 Violated in 4 structures by 0.00 A. Peak 6381 from nnoeabs.peaks (2.49, 7.57, 119.96 ppm; 4.02 A increased from 3.22 A): 2 out of 5 assignments used, quality = 1.00: HB2 ASP 87 + H GLU 88 OK 97 99 100 97 2.6-4.0 4.6=66, 4.0/7386=53...(14) HB3 ASP 87 + H GLU 88 OK 96 99 100 97 2.8-4.0 4.6=66, 4.0/7386=53...(13) ! HG3 GLU 23 - H LYS 24 far 5 100 5 - 4.3-4.8 HD2 ARG 91 - H GLU 88 far 0 100 0 - 5.9-6.9 HG3 GLU 95 - H GLU 88 far 0 67 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 6382 from nnoeabs.peaks (4.10, 7.57, 119.96 ppm; 3.20 A): 1 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 far 0 98 0 - 3.9-4.4 Violated in 0 structures by 0.00 A. Peak 6383 from nnoeabs.peaks (1.96, 7.57, 119.96 ppm; 2.76 A): 2 out of 7 assignments used, quality = 0.99: * HB2 LYS 24 + H LYS 24 OK 98 100 100 98 2.1-2.5 1073=78, 1072/6373=26...(25) HG3 GLU 88 + H GLU 88 OK 21 92 25 92 2.2-3.7 1.8/3886=35, 3.0/7393=34...(12) HB3 LYS 24 - H LYS 24 far 15 100 15 - 2.9-3.6 HB3 LYS 20 - H LYS 24 far 0 81 0 - 5.3-6.4 HB2 GLU 17 - H GLU 88 far 0 90 0 - 6.5-7.3 HB3 ARG 19 - H LYS 24 far 0 71 0 - 7.7-8.4 HB2 GLU 17 - H LYS 24 far 0 91 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 6384 from nnoeabs.peaks (1.96, 7.57, 119.96 ppm; 2.76 A): 2 out of 7 assignments used, quality = 0.99: HB2 LYS 24 + H LYS 24 OK 98 100 100 98 2.1-2.5 1073=78, 1072/6373=26...(25) HG3 GLU 88 + H GLU 88 OK 21 92 25 92 2.2-3.7 1.8/3886=35, 3.0/7393=34...(12) ! HB3 LYS 24 - H LYS 24 far 15 100 15 - 2.9-3.6 HB3 LYS 20 - H LYS 24 far 0 81 0 - 5.3-6.4 HB2 GLU 17 - H GLU 88 far 0 90 0 - 6.5-7.3 HB3 ARG 19 - H LYS 24 far 0 71 0 - 7.7-8.4 HB2 GLU 17 - H LYS 24 far 0 91 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 6385 from nnoeabs.peaks (1.59, 7.57, 119.96 ppm; 4.34 A increased from 3.86 A): 1 out of 10 assignments used, quality = 1.00: * HG2 LYS 24 + H LYS 24 OK 100 100 100 100 2.9-4.5 1084=100, 2.9/1073=86...(28) HG LEU 27 - H LYS 24 far 0 98 0 - 6.3-6.9 HG3 LYS 90 - H GLU 88 far 0 100 0 - 6.9-7.4 HB3 LEU 29 - H LYS 24 far 0 99 0 - 7.3-7.6 HD2 LYS 94 - H LYS 24 far 0 61 0 - 7.9-10.1 HG3 LYS 90 - H LYS 24 far 0 100 0 - 8.0-8.5 HD3 LYS 94 - H GLU 88 far 0 97 0 - 8.8-12.6 HG2 ARG 19 - H LYS 24 far 0 100 0 - 8.8-10.0 HD2 LYS 94 - H GLU 88 far 0 61 0 - 9.2-13.3 HD3 LYS 94 - H LYS 24 far 0 98 0 - 9.3-11.6 Violated in 1 structures by 0.01 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 2.3-4.3 2.9/1061=82, 1096/3.0=73...(23) HB2 ARG 91 - H GLU 88 far 0 89 0 - 5.7-6.3 HB2 LEU 14 - H GLU 88 far 0 96 0 - 7.1-7.7 HG LEU 57 - H GLU 88 far 0 99 0 - 7.8-8.6 Violated in 1 structures by 0.00 A. Peak 6387 from nnoeabs.peaks (1.70, 7.57, 119.96 ppm; 4.93 A increased from 4.15 A): 4 out of 9 assignments used, quality = 1.00: * HD2 LYS 24 + H LYS 24 OK 100 100 100 100 2.4-5.1 3.6/1061=88, 3.0/6386=80...(21) HD3 LYS 24 + H LYS 24 OK 80 100 80 100 3.1-5.8 3.6/1061=88, 3.0/6386=80...(23) HB3 ARG 91 + H GLU 88 OK 53 97 55 100 5.1-5.5 4034/3.0=78, ~4024=57...(16) HD3 LYS 90 + H GLU 88 OK 41 100 45 92 4.7-6.2 10315/3.6=62...(8) HG2 PRO 86 - H GLU 88 far 10 100 10 - 4.9-6.3 HG3 LYS 20 - H LYS 24 far 0 91 0 - 6.0-7.7 HD3 LYS 20 - H LYS 24 far 0 91 0 - 6.7-9.4 HD2 LYS 20 - H LYS 24 far 0 94 0 - 8.3-9.5 HD2 ARG 81 - H GLU 88 far 0 76 0 - 9.2-11.7 Violated in 0 structures by 0.00 A. Peak 6388 from nnoeabs.peaks (1.70, 7.57, 119.96 ppm; 4.93 A increased from 4.15 A): 4 out of 9 assignments used, quality = 1.00: HD2 LYS 24 + H LYS 24 OK 100 100 100 100 2.4-5.1 3.6/1061=88, 3.0/6386=80...(21) * HD3 LYS 24 + H LYS 24 OK 80 100 80 100 3.1-5.8 3.6/1061=88, 3.0/6386=80...(23) HB3 ARG 91 + H GLU 88 OK 53 96 55 100 5.1-5.5 4034/3.0=77, ~4024=57...(16) HD3 LYS 90 + H GLU 88 OK 41 100 45 92 4.7-6.2 10315/3.6=62...(8) HG2 PRO 86 - H GLU 88 far 10 100 10 - 4.9-6.3 HG3 LYS 20 - H LYS 24 far 0 90 0 - 6.0-7.7 HD3 LYS 20 - H LYS 24 far 0 90 0 - 6.7-9.4 HD2 LYS 20 - H LYS 24 far 0 93 0 - 8.3-9.5 HD2 ARG 81 - H GLU 88 far 0 78 0 - 9.2-11.7 Violated in 0 structures by 0.00 A. Peak 6389 from nnoeabs.peaks (2.96, 7.57, 119.96 ppm; 6.50 A increased from 5.65 A): 3 out of 7 assignments used, quality = 1.00: HE3 LYS 24 + H LYS 24 OK 95 100 95 100 2.4-7.1 3.7/6386=95, 4.9/1061=94...(16) * HE2 LYS 24 + H LYS 24 OK 95 100 95 100 3.9-7.1 3.7/6386=95, 4.9/1061=94...(15) HG2 MET 21 + H LYS 24 OK 72 90 80 100 6.6-6.9 3.9/6373=97, 3.4/8538=87...(6) HE3 LYS 90 - H GLU 88 far 0 83 0 - 6.9-7.6 HG2 MET 21 - H GLU 88 far 0 89 0 - 8.2-8.7 HE3 LYS 90 - H LYS 24 far 0 84 0 - 9.7-10.5 HB2 SER 9 - H GLU 88 far 0 78 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 6390 from nnoeabs.peaks (2.96, 7.57, 119.96 ppm; 6.50 A increased from 5.65 A): 3 out of 7 assignments used, quality = 1.00: * HE3 LYS 24 + H LYS 24 OK 95 100 95 100 2.4-7.1 3.7/6386=95, 4.9/1061=94...(16) HE2 LYS 24 + H LYS 24 OK 95 100 95 100 3.9-7.1 3.7/6386=95, 4.9/1061=94...(15) HG2 MET 21 + H LYS 24 OK 72 90 80 100 6.6-6.9 3.9/6373=97, 3.4/8538=87...(6) HE3 LYS 90 - H GLU 88 far 0 83 0 - 6.9-7.6 HG2 MET 21 - H GLU 88 far 0 89 0 - 8.2-8.7 HE3 LYS 90 - H LYS 24 far 0 84 0 - 9.7-10.5 HB2 SER 9 - H GLU 88 far 0 78 0 - 10.0-11.2 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 2.3-2.5 6397=100, 6399/1073=37...(16) H SER 85 - H GLU 88 far 0 89 0 - 4.3-4.5 H MET 21 - H LYS 24 far 0 84 0 - 4.7-5.0 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 - 4.3-4.8 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 3.1-3.6 1005=66, 1154/6408=53...(15) HA LYS 94 - H ALA 25 far 0 59 0 - 5.7-6.6 HA ARG 19 - H ALA 25 far 0 95 0 - 7.5-8.2 HA SER 97 - H ALA 25 far 0 99 0 - 7.5-8.2 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 3.9-4.1 6376/6397=66...(10) H LEU 27 + H ALA 25 OK 66 68 100 97 3.5-4.0 10489=47, 4.6/6409=47...(11) H LYS 94 - H ALA 25 far 0 98 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 6396 from nnoeabs.peaks (4.15, 7.71, 119.26 ppm; 4.13 A increased from 3.89 A): 1 out of 1 assignment used, quality = 0.98: * HA GLU 23 + H ALA 25 OK 98 100 100 98 3.8-4.2 3.6/6397=68...(9) Violated in 2 structures by 0.00 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 2.3-2.5 6391=93, 1061/6400=35...(16) Violated in 0 structures by 0.00 A. Peak 6398 from nnoeabs.peaks (4.10, 7.71, 119.26 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 24 + H ALA 25 OK 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 6399 from nnoeabs.peaks (1.96, 7.71, 119.26 ppm; 3.34 A increased from 3.14 A): 2 out of 4 assignments used, quality = 0.98: * HB2 LYS 24 + H ALA 25 OK 97 100 100 97 2.8-3.5 1071=58, 1073/6397=54...(15) HB3 LYS 24 + H ALA 25 OK 34 100 35 96 3.0-4.2 4.4=44, 1.8/1071=43...(13) HB3 LYS 20 - H ALA 25 far 0 81 0 - 7.5-8.4 HB3 ARG 19 - H ALA 25 far 0 71 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 6400 from nnoeabs.peaks (1.96, 7.71, 119.26 ppm; 3.34 A increased from 3.14 A): 2 out of 4 assignments used, quality = 0.98: HB2 LYS 24 + H ALA 25 OK 97 100 100 97 2.8-3.5 1071=58, 1073/6397=54...(15) * HB3 LYS 24 + H ALA 25 OK 34 100 35 96 3.0-4.2 4.4=44, 1.8/1071=43...(13) HB3 LYS 20 - H ALA 25 far 0 81 0 - 7.5-8.4 HB3 ARG 19 - H ALA 25 far 0 71 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 6401 from nnoeabs.peaks (1.59, 7.71, 119.26 ppm; 4.79 A increased from 4.25 A): 2 out of 9 assignments used, quality = 0.99: HG LEU 27 + H ALA 25 OK 98 98 100 100 4.1-4.6 8622/6408=68...(12) * HG2 LYS 24 + H ALA 25 OK 50 100 50 100 4.5-5.6 1084/6397=71...(12) HD2 LYS 94 - H ALA 25 far 0 61 0 - 6.8-9.5 HB3 LEU 29 - H ALA 25 far 0 99 0 - 7.4-7.8 HD3 LYS 94 - H ALA 25 far 0 98 0 - 8.4-10.8 HB2 LEU 3 - H ALA 25 far 0 71 0 - 8.8-9.5 HG3 LYS 90 - H ALA 25 far 0 100 0 - 9.0-9.5 HB3 GLU 28 - H ALA 25 far 0 88 0 - 9.7-10.3 HG2 ARG 19 - H ALA 25 far 0 100 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 6402 from nnoeabs.peaks (1.51, 7.71, 119.26 ppm; 5.26 A increased from 4.95 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 24 + H ALA 25 OK 100 100 100 100 3.9-5.3 1096/3.6=87...(11) Violated in 2 structures by 0.00 A. Peak 6403 from nnoeabs.peaks (1.70, 7.71, 119.26 ppm; 6.08 A increased from 4.87 A): 2 out of 4 assignments used, quality = 0.99: HD3 LYS 24 + H ALA 25 OK 95 100 95 100 5.0-6.7 3.0/6402=85, 3.6/6400=73...(8) * HD2 LYS 24 + H ALA 25 OK 90 100 90 100 4.6-6.5 3.0/6402=85, 3.6/6400=73...(8) HG3 LYS 20 - H ALA 25 far 0 91 0 - 7.9-9.9 HD3 LYS 20 - H ALA 25 far 0 91 0 - 9.0-11.5 Violated in 0 structures by 0.00 A. Peak 6404 from nnoeabs.peaks (1.70, 7.71, 119.26 ppm; 6.08 A increased from 4.87 A): 2 out of 4 assignments used, quality = 0.99: * HD3 LYS 24 + H ALA 25 OK 95 100 95 100 5.0-6.7 3.0/6402=85, 3.6/6400=73...(8) HD2 LYS 24 + H ALA 25 OK 90 100 90 100 4.6-6.5 3.0/6402=85, 3.6/6399=73...(8) HG3 LYS 20 - H ALA 25 far 0 90 0 - 7.9-9.9 HD3 LYS 20 - H ALA 25 far 0 90 0 - 9.0-11.5 Violated in 0 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 - 4.3-4.8 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 2.1-2.4 2.9=86, 6413/6409=32...(14) HB3 LEU 27 - H ALA 25 far 0 100 0 - 6.3-6.8 HG2 LYS 94 - H ALA 25 far 0 100 0 - 8.9-9.8 QB ALA 89 - H ALA 25 far 0 100 0 - 9.6-10.0 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 1 assignment used, quality = 1.00: * H ASN 26 + H ALA 25 OK 100 100 100 100 2.2-2.5 6411=95, 6412/3.0=45...(17) 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 2.2-2.5 6409=100, 3.0/6412=46...(17) H MET 21 - H ASN 26 far 0 84 0 - 8.2-8.5 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 3 assignments used, quality = 0.99: * HA ALA 25 + H ASN 26 OK 99 100 100 99 3.2-3.3 3.6=82, 2.1/6413=59...(14) HA MET 21 - H ASN 26 far 0 100 0 - 6.5-7.0 HA HIS 106 - H ASN 26 far 0 100 0 - 10.0-30.4 Violated in 0 structures by 0.00 A. Peak 6413 from nnoeabs.peaks (1.34, 7.84, 115.27 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 25 + H ASN 26 OK 100 100 100 100 3.2-3.4 3.6=96, 2.1/6412=73...(21) HB3 LEU 27 - H ASN 26 far 0 100 0 - 6.2-6.3 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 = 0.89: * HA ASN 26 + H ASN 26 OK 89 100 100 89 2.3-2.3 3.0=73, 6434/6419=34...(7) Violated in 0 structures by 0.00 A. Peak 6415 from nnoeabs.peaks (2.74, 7.84, 115.27 ppm; 3.82 A increased from 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 26 + H ASN 26 OK 100 100 100 100 3.0-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 6416 from nnoeabs.peaks (3.07, 7.84, 115.27 ppm; 4.17 A increased from 3.71 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 26 + H ASN 26 OK 100 100 100 100 3.7-4.1 3.8=100 HB3 HIS 106 - H ASN 26 far 0 98 0 - 7.2-30.9 HB2 PHE 96 - H ASN 26 far 0 73 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 6418 from nnoeabs.peaks (7.47, 7.84, 115.27 ppm; 5.77 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 26 + H ASN 26 OK 100 100 100 100 2.5-4.9 5.5=100 HE ARG 19 - H ASN 26 far 0 96 0 - 9.8-14.4 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 2.7-2.8 6433=98, 6434/6414=55...(13) H GLU 23 - H ASN 26 far 0 68 0 - 4.9-5.2 H SER 97 - H ASN 26 far 0 85 0 - 8.4-9.2 H LYS 94 - H ASN 26 far 0 88 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 6420 from nnoeabs.peaks (6.75, 6.75, 112.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 26 + HD21 ASN 26 OK 100 100 - 100 Peak 6421 from nnoeabs.peaks (7.84, 6.75, 112.34 ppm; 5.80 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 26 + HD21 ASN 26 OK 100 100 100 100 3.9-5.5 5.5=100 H LEU 3 - HD21 ASN 26 far 0 100 0 - 9.3-12.3 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 0.01 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 2.3-3.7 3.5=100 Violated in 0 structures by 0.00 A. Peak 6424 from nnoeabs.peaks (3.07, 6.75, 112.34 ppm; 4.34 A increased from 4.09 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 26 + HD21 ASN 26 OK 100 100 100 100 2.8-4.1 3.5=100 HB3 HIS 106 - HD21 ASN 26 far 5 98 5 - 3.7-33.4 HB3 HIS 105 - HD21 ASN 26 far 0 100 0 - 7.1-32.1 Violated in 0 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 2.5-4.9 5.5=100 H LEU 3 - HD22 ASN 26 far 0 100 0 - 9.3-11.5 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 2 assignments used, quality = 1.00: * HA ASN 26 + HD22 ASN 26 OK 100 100 100 100 2.0-4.8 4.4=100 HA SER 102 - HD22 ASN 26 far 0 88 0 - 9.9-20.9 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 0 structures by 0.00 A. Peak 6430 from nnoeabs.peaks (3.07, 7.47, 112.34 ppm; 3.76 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 26 + HD22 ASN 26 OK 100 100 100 100 2.9-3.7 3.5=100 HB3 HIS 106 - HD22 ASN 26 far 0 98 0 - 4.7-31.8 HB3 HIS 105 - HD22 ASN 26 far 0 100 0 - 6.7-30.7 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 2.7-2.8 6419=100, 6414/6434=56...(13) H LEU 3 - H LEU 27 far 0 100 0 - 7.4-8.3 Violated in 0 structures by 0.00 A. Peak 6434 from nnoeabs.peaks (4.36, 8.24, 116.83 ppm; 3.03 A): 1 out of 1 assignment used, quality = 0.95: * HA ASN 26 + H LEU 27 OK 95 100 100 95 2.6-2.9 1165=64, 6414/6419=51...(8) Violated in 0 structures by 0.00 A. Peak 6435 from nnoeabs.peaks (2.74, 8.24, 116.83 ppm; 4.65 A increased from 4.38 A): 1 out of 1 assignment used, quality = 0.99: * HB2 ASN 26 + H LEU 27 OK 99 100 100 99 4.2-4.6 4.7=99 Violated in 0 structures by 0.00 A. Peak 6436 from nnoeabs.peaks (3.07, 8.24, 116.83 ppm; 4.55 A increased from 4.28 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 26 + H LEU 27 OK 100 100 100 100 4.1-4.5 4.7=93, 3.0/6434=88...(7) HB2 PHE 96 - H LEU 27 far 0 73 0 - 8.1-9.5 HB3 HIS 106 - H LEU 27 far 0 98 0 - 9.0-29.4 HD3 ARG 30 - H LEU 27 far 0 95 0 - 9.5-13.2 Violated in 0 structures by 0.00 A. Peak 6439 from nnoeabs.peaks (4.65, 8.24, 116.83 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 27 + H LEU 27 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6440 from nnoeabs.peaks (1.46, 8.24, 116.83 ppm; 3.17 A): 1 out of 3 assignments used, quality = 0.97: * HB2 LEU 27 + H LEU 27 OK 97 100 100 97 2.5-2.9 1188=55, 3.0/6442=48...(14) QB ALA 22 - H LEU 27 far 0 90 0 - 3.6-4.0 HG LEU 29 - H LEU 27 far 0 90 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 6441 from nnoeabs.peaks (1.34, 8.24, 116.83 ppm; 3.77 A increased from 3.35 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 27 + H LEU 27 OK 100 100 100 100 3.7-3.9 1.8/6440=88, 4.0=83...(12) QB ALA 25 + H LEU 27 OK 100 100 100 100 3.1-3.7 10476=63, 6413/6419=58...(13) HB3 LEU 2 - H LEU 27 far 0 99 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 6442 from nnoeabs.peaks (1.60, 8.24, 116.83 ppm; 3.28 A): 1 out of 6 assignments used, quality = 0.99: * HG LEU 27 + H LEU 27 OK 99 100 100 99 2.6-3.1 1204=53, 3.0/6440=53...(15) HB3 LEU 29 - H LEU 27 far 0 100 0 - 5.9-6.5 HB3 GLU 28 - H LEU 27 far 0 68 0 - 6.1-6.5 HG2 LYS 24 - H LEU 27 far 0 98 0 - 7.8-9.2 HG2 ARG 19 - H LEU 27 far 0 98 0 - 9.3-11.7 HD2 LYS 94 - H LEU 27 far 0 84 0 - 9.9-12.8 Violated in 0 structures by 0.00 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 3.5-3.8 2.1/6442=78, 1212=67...(14) QD1 LEU 27 + H LEU 27 OK 30 59 50 100 3.8-4.3 2.1/6442=78, 3.1/6440=64...(17) QG2 ILE 93 - H LEU 27 far 0 91 0 - 4.7-5.4 QG1 VAL 5 - H LEU 27 far 0 100 0 - 7.2-7.8 HG13 ILE 93 - H LEU 27 far 0 97 0 - 9.0-9.7 QG1 VAL 54 - H LEU 27 far 0 73 0 - 9.6-10.4 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 = 0.82: QD2 LEU 27 + H LEU 27 OK 59 59 100 100 3.5-3.8 2.1/6442=80, 3.1/6440=65...(14) * QD1 LEU 27 + H LEU 27 OK 55 100 55 100 3.8-4.3 2.1/6442=80, 3.1/6440=65...(18) QG2 ILE 93 - H LEU 27 far 0 94 0 - 4.7-5.4 QD1 ILE 93 - H LEU 27 far 0 100 0 - 6.9-7.9 HG13 ILE 93 - H LEU 27 far 0 85 0 - 9.0-9.7 QG1 VAL 54 - H LEU 27 far 0 100 0 - 9.6-10.4 QD2 LEU 57 - H LEU 27 far 0 82 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 6445 from nnoeabs.peaks (7.80, 8.24, 116.83 ppm; 4.48 A increased from 3.58 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 28 + H LEU 27 OK 100 100 100 100 4.3-4.5 4.6=90, 1187/3.0=88...(9) HE ARG 30 - H LEU 27 far 0 99 0 - 9.5-13.3 H LYS 20 - H LEU 27 far 0 100 0 - 9.5-10.0 Violated in 0 structures by 0.00 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 4.3-4.5 4.6=100 H GLU 23 - H GLU 28 far 0 68 0 - 7.9-8.6 H SER 97 - H GLU 28 far 0 85 0 - 9.1-10.5 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 2.2-2.3 1187=100, 3.0/6450=39...(10) Violated in 0 structures by 0.00 A. Peak 6449 from nnoeabs.peaks (1.46, 7.80, 121.34 ppm; 4.23 A increased from 3.98 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 27 + H GLU 28 OK 100 100 100 100 3.5-4.2 1195=100, 1.8/6450=85...(10) QB ALA 22 - H GLU 28 far 0 90 0 - 5.0-5.6 HG13 ILE 52 - H GLU 28 far 0 100 0 - 7.1-8.0 HG LEU 29 - H GLU 28 far 0 90 0 - 7.4-7.8 HG3 LYS 53 - H GLU 28 far 0 99 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 6450 from nnoeabs.peaks (1.34, 7.80, 121.34 ppm; 3.90 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 27 + H GLU 28 OK 100 100 100 100 2.7-3.2 1203=92, 3.0/1187=74...(11) QB ALA 25 - H GLU 28 far 0 100 0 - 6.1-6.5 HB3 LEU 2 - H GLU 28 far 0 99 0 - 6.2-7.3 HB3 ARG 30 - H GLU 28 far 0 82 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 6451 from nnoeabs.peaks (1.60, 7.80, 121.34 ppm; 4.03 A): 1 out of 5 assignments used, quality = 0.67: HB3 GLU 28 + H GLU 28 OK 67 68 100 100 2.1-2.2 4.0=100 ! HG LEU 27 - H GLU 28 far 0 100 0 - 5.0-5.2 HB3 LEU 29 - H GLU 28 far 0 100 0 - 6.1-6.4 HB2 ARG 30 - H GLU 28 far 0 100 0 - 9.4-9.8 HG2 ARG 19 - H GLU 28 far 0 98 0 - 10.0-12.9 Violated in 0 structures by 0.00 A. Peak 6452 from nnoeabs.peaks (0.73, 7.80, 121.34 ppm; 4.23 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 27 + H GLU 28 OK 100 100 100 100 3.3-3.9 1219=100, 1185/1187=79...(9) QD1 LEU 27 - H GLU 28 far 0 59 0 - 4.6-5.0 QG2 ILE 93 - H GLU 28 far 0 91 0 - 6.4-7.3 QD1 ILE 52 - H GLU 28 far 0 68 0 - 6.6-7.3 QG1 VAL 5 - H GLU 28 far 0 100 0 - 6.9-7.4 QG1 VAL 54 - H GLU 28 far 0 73 0 - 7.3-7.9 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 8 assignments used, quality = 0.80: QD2 LEU 27 + H GLU 28 OK 59 59 100 100 3.3-3.9 4.7=93, 3.1/6450=73...(9) * QD1 LEU 27 + H GLU 28 OK 50 100 50 100 4.6-5.0 4.7=93, 2.1/1219=83...(10) QG2 ILE 93 - H GLU 28 far 0 94 0 - 6.4-7.3 QG1 VAL 54 - H GLU 28 far 0 100 0 - 7.3-7.9 QD1 ILE 93 - H GLU 28 far 0 100 0 - 8.2-9.5 QG2 ILE 52 - H GLU 28 far 0 99 0 - 8.7-9.6 QD1 LEU 6 - H GLU 28 far 0 100 0 - 8.9-9.3 QD2 LEU 57 - H GLU 28 far 0 82 0 - 9.5-11.3 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 3.1-3.5 1235=100, 1.8/6456=81...(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 2.1-2.2 1242=90, 1.8/1235=68...(9) HB2 LEU 3 - H GLU 28 far 0 99 0 - 4.7-5.3 HG LEU 27 - H GLU 28 far 0 68 0 - 5.0-5.2 HB3 LEU 29 - H GLU 28 far 0 71 0 - 6.1-6.4 HG3 ARG 30 - H GLU 28 far 0 71 0 - 7.1-9.2 HG LEU 6 - H GLU 28 far 0 61 0 - 8.7-9.0 HG2 ARG 19 - H GLU 28 far 0 90 0 - 10.0-12.9 Violated in 0 structures by 0.00 A. Peak 6457 from nnoeabs.peaks (2.06, 7.80, 121.34 ppm; 4.55 A increased from 4.05 A): 2 out of 6 assignments used, quality = 1.00: HG3 GLU 28 + H GLU 28 OK 100 100 100 100 3.2-4.5 3.0/6456=80, 3.0/1235=77...(8) * HG2 GLU 28 + H GLU 28 OK 100 100 100 100 3.5-4.6 3.0/6456=80, 3.0/1235=77...(8) HG12 ILE 93 - H GLU 28 far 0 84 0 - 8.6-9.7 HB2 GLU 23 - H GLU 28 far 0 88 0 - 8.7-9.6 QE MET 21 - H GLU 28 far 0 68 0 - 8.9-9.6 HB3 GLU 48 - H GLU 28 far 0 96 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 6458 from nnoeabs.peaks (2.06, 7.80, 121.34 ppm; 4.55 A increased from 4.05 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 28 + H GLU 28 OK 100 100 100 100 3.2-4.5 3.0/6456=80, 3.0/1235=77...(8) HG2 GLU 28 + H GLU 28 OK 100 100 100 100 3.5-4.6 3.0/6456=80, 3.0/1235=77...(8) HG12 ILE 93 - H GLU 28 far 0 84 0 - 8.6-9.7 HB2 GLU 23 - H GLU 28 far 0 88 0 - 8.7-9.6 QE MET 21 - H GLU 28 far 0 68 0 - 8.9-9.6 HB3 GLU 48 - H GLU 28 far 0 96 0 - 9.5-11.5 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 4.1-4.4 4.5=100 H LYS 53 - H GLU 28 far 0 96 0 - 7.8-8.3 H VAL 54 - H GLU 28 far 0 59 0 - 9.8-10.3 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 4.1-4.4 4.5=100 HE ARG 30 - H LEU 29 far 5 99 5 - 4.9-8.2 H LYS 20 - H LEU 29 far 0 100 0 - 8.4-9.1 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 = 0.96: * HA GLU 28 + H LEU 29 OK 96 100 100 96 2.2-2.3 1234=87, 3.0/6463=28...(9) 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 = 0.99: * HB2 GLU 28 + H LEU 29 OK 99 100 100 99 3.9-4.1 3.0/6462=82, 4.6=69...(9) HG3 ARG 19 - H LEU 29 far 0 94 0 - 6.6-7.8 Violated in 2 structures by 0.00 A. Peak 6464 from nnoeabs.peaks (1.56, 8.45, 126.55 ppm; 3.47 A): 1 out of 7 assignments used, quality = 0.70: HB3 LEU 29 + H LEU 29 OK 70 71 100 98 2.3-2.5 1.8/6468=66, 4.0=64...(14) ! HB3 GLU 28 - H LEU 29 far 0 100 0 - 4.6-4.7 HG3 ARG 30 - H LEU 29 far 0 71 0 - 4.9-6.9 HG2 ARG 19 - H LEU 29 far 0 90 0 - 5.7-8.8 HG LEU 27 - H LEU 29 far 0 68 0 - 6.5-7.5 HG LEU 6 - H LEU 29 far 0 61 0 - 7.6-8.1 HB2 LEU 3 - H LEU 29 far 0 99 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 6465 from nnoeabs.peaks (2.06, 8.45, 126.55 ppm; 4.92 A increased from 4.15 A): 2 out of 6 assignments used, quality = 0.92: HG3 GLU 28 + H LEU 29 OK 85 100 85 100 3.8-5.6 5.0=96, 3.7/6462=88...(7) * HG2 GLU 28 + H LEU 29 OK 50 100 50 100 4.1-5.5 5.0=96, 3.7/6462=88...(7) HB2 GLU 23 - H LEU 29 far 0 88 0 - 7.2-7.6 HG12 ILE 93 - H LEU 29 far 0 84 0 - 7.2-8.2 QE MET 21 - H LEU 29 far 0 68 0 - 8.3-8.8 HB2 MET 21 - H LEU 29 far 0 98 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 6466 from nnoeabs.peaks (2.06, 8.45, 126.55 ppm; 4.92 A increased from 4.15 A): 2 out of 6 assignments used, quality = 0.92: * HG3 GLU 28 + H LEU 29 OK 85 100 85 100 3.8-5.6 5.0=96, 3.7/6462=88...(7) HG2 GLU 28 + H LEU 29 OK 50 100 50 100 4.1-5.5 5.0=96, 3.7/6462=88...(7) HB2 GLU 23 - H LEU 29 far 0 88 0 - 7.2-7.6 HG12 ILE 93 - H LEU 29 far 0 84 0 - 7.2-8.2 QE MET 21 - H LEU 29 far 0 68 0 - 8.3-8.8 HB2 MET 21 - H LEU 29 far 0 98 0 - 9.2-9.7 Violated in 0 structures by 0.00 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 2.7-3.1 1.8/6469=81, 4.0=77...(17) QG2 THR 31 - H LEU 29 far 0 93 0 - 7.0-7.4 HB3 LEU 3 - H LEU 29 far 0 99 0 - 8.2-8.8 HB2 LEU 6 - H LEU 29 far 0 92 0 - 9.4-9.8 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 = 0.99: * HB3 LEU 29 + H LEU 29 OK 99 100 100 99 2.3-2.5 1.8/6468=63, 4.0=60...(16) HB3 GLU 28 - H LEU 29 far 0 71 0 - 4.6-4.7 HG2 ARG 19 - H LEU 29 far 0 99 0 - 5.7-8.8 HG LEU 27 - H LEU 29 far 0 100 0 - 6.5-7.5 HB2 ARG 30 - H LEU 29 far 0 100 0 - 7.0-7.2 Violated in 0 structures by 0.00 A. Peak 6470 from nnoeabs.peaks (1.44, 8.45, 126.55 ppm; 3.84 A): 1 out of 3 assignments used, quality = 0.98: QB ALA 22 + H LEU 29 OK 98 100 100 98 3.0-3.4 8581/6469=55, 8586=54...(11) HB2 LEU 27 - H LEU 29 far 0 90 0 - 4.4-5.3 ! HG LEU 29 - H LEU 29 far 0 100 0 - 4.5-4.6 Violated in 0 structures by 0.00 A. Peak 6471 from nnoeabs.peaks (0.64, 8.45, 126.55 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 29 + H LEU 29 OK 100 100 100 100 3.7-4.0 3.1/6469=66, 3.1/6468=61...(13) QD1 LEU 29 - H LEU 29 far 0 99 0 - 4.3-4.5 QG2 VAL 54 - H LEU 29 far 0 98 0 - 8.1-9.1 QD1 ILE 7 - H LEU 29 far 0 90 0 - 8.5-10.1 Violated in 4 structures by 0.01 A. Peak 6472 from nnoeabs.peaks (0.65, 8.45, 126.55 ppm; 3.94 A): 1 out of 5 assignments used, quality = 0.98: QD2 LEU 29 + H LEU 29 OK 98 99 100 100 3.7-4.0 3.1/6469=66, 3.1/6468=61...(13) ! QD1 LEU 29 - H LEU 29 far 0 100 0 - 4.3-4.5 QD2 LEU 6 - H LEU 29 far 0 71 0 - 6.6-7.0 QG2 VAL 54 - H LEU 29 far 0 100 0 - 8.1-9.1 QD1 ILE 7 - H LEU 29 far 0 71 0 - 8.5-10.1 Violated in 4 structures by 0.01 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 4.4-4.6 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; 4.15 A increased from 3.91 A): 1 out of 4 assignments used, quality = 0.99: H ILE 7 + H ARG 30 OK 99 100 100 100 3.7-3.9 8238=85, 6072/8698=69...(11) ! H LEU 29 - H ARG 30 far 5 100 5 - 4.4-4.6 H VAL 32 - H ARG 30 far 0 79 0 - 6.5-6.8 H VAL 54 - H ARG 30 far 0 59 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 6476 from nnoeabs.peaks (5.66, 9.09, 125.04 ppm; 2.98 A): 1 out of 1 assignment used, quality = 0.98: * HA LEU 29 + H ARG 30 OK 98 100 100 98 2.2-2.3 1270=68, 3.6/6479=32...(12) Violated in 0 structures by 0.00 A. Peak 6477 from nnoeabs.peaks (1.16, 9.09, 125.04 ppm; 4.01 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 29 + H ARG 30 OK 100 100 100 100 3.8-4.1 2.9/6476=79, 4.3=78...(13) QG2 THR 31 - H ARG 30 far 0 93 0 - 4.6-5.0 HB2 LEU 6 - H ARG 30 far 0 92 0 - 5.3-5.6 HB3 LEU 3 - H ARG 30 far 0 99 0 - 9.4-9.8 HB2 LEU 57 - H ARG 30 far 0 65 0 - 9.4-10.0 Violated in 4 structures by 0.00 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: HB2 ARG 30 + H ARG 30 OK 99 100 100 100 3.6-3.7 4.0=84, 1.8/6484=76...(8) * HB3 LEU 29 + H ARG 30 OK 65 100 65 100 3.9-4.2 2.9/6476=74, 1.8/6477=70...(11) HG2 ARG 19 - H ARG 30 far 0 99 0 - 5.7-8.5 HB3 GLU 28 - H ARG 30 far 0 71 0 - 6.7-7.2 HG LEU 27 - H ARG 30 far 0 100 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 6479 from nnoeabs.peaks (1.44, 9.09, 125.04 ppm; 3.44 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 29 + H ARG 30 OK 100 100 100 100 2.1-2.6 2.1/6480=67, 1294=57...(13) QB ALA 22 - H ARG 30 far 0 100 0 - 5.0-5.4 HB2 LEU 27 - H ARG 30 far 0 90 0 - 7.1-7.9 HG12 ILE 7 - H ARG 30 far 0 99 0 - 7.6-8.0 Violated in 0 structures by 0.00 A. Peak 6480 from nnoeabs.peaks (0.64, 9.09, 125.04 ppm; 3.39 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 29 + H ARG 30 OK 100 100 100 100 2.5-3.3 2.1/6479=64, 1302=59...(14) QD1 LEU 29 - H ARG 30 far 0 99 0 - 3.8-4.2 QG2 VAL 54 - H ARG 30 far 0 98 0 - 6.2-7.4 QD1 ILE 7 - H ARG 30 far 0 90 0 - 6.6-7.3 Violated in 0 structures by 0.00 A. Peak 6481 from nnoeabs.peaks (0.65, 9.09, 125.04 ppm; 3.39 A): 2 out of 6 assignments used, quality = 0.99: QD2 LEU 29 + H ARG 30 OK 98 99 100 100 2.5-3.3 2.1/6479=64, 1302=58...(14) QD2 LEU 6 + H ARG 30 OK 65 71 100 91 2.8-3.4 4.0/8698=35, 10232=33...(11) ! QD1 LEU 29 - H ARG 30 far 0 100 0 - 3.8-4.2 QG2 VAL 54 - H ARG 30 far 0 100 0 - 6.2-7.4 QD1 ILE 7 - H ARG 30 far 0 71 0 - 6.6-7.3 QD1 LEU 42 - H ARG 30 far 0 68 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 6482 from nnoeabs.peaks (4.91, 9.09, 125.04 ppm; 4.05 A): 1 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 far 0 90 0 - 4.7-4.9 HA ILE 56 - H ARG 30 far 0 75 0 - 7.0-7.2 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 3.6-3.7 4.0=84, 1.8/6484=76...(8) HB3 LEU 29 + H ARG 30 OK 65 100 65 100 3.9-4.2 2.9/6476=74, 1.8/6477=70...(11) HG2 ARG 19 - H ARG 30 far 0 94 0 - 5.7-8.5 HG LEU 27 - H ARG 30 far 0 100 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 6484 from nnoeabs.peaks (1.37, 9.09, 125.04 ppm; 3.77 A): 1 out of 7 assignments used, quality = 0.99: * HB3 ARG 30 + H ARG 30 OK 99 100 100 99 2.5-2.7 4.0=80, 1.8/6483=44...(10) HB3 LEU 27 - H ARG 30 far 0 82 0 - 7.2-7.8 HG12 ILE 8 - H ARG 30 far 0 99 0 - 7.9-8.2 QB ALA 89 - H ARG 30 far 0 73 0 - 8.5-9.0 QB ALA 25 - H ARG 30 far 0 73 0 - 8.6-9.7 HG3 LYS 40 - H ARG 30 far 0 98 0 - 9.5-10.9 QB ALA 67 - H ARG 30 far 0 70 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 6485 from nnoeabs.peaks (1.29, 9.09, 125.04 ppm; 4.60 A increased from 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 30 + H ARG 30 OK 100 100 100 100 3.6-4.5 4.9=82, 2.9/6484=79...(12) Violated in 0 structures by 0.00 A. Peak 6486 from nnoeabs.peaks (1.53, 9.09, 125.04 ppm; 4.29 A increased from 4.04 A): 2 out of 6 assignments used, quality = 1.00: HG LEU 6 + H ARG 30 OK 96 100 100 96 3.8-4.3 2.1/10232=74...(5) * HG3 ARG 30 + H ARG 30 OK 90 100 90 100 3.6-4.7 2.9/6484=72, 1.8/6485=69...(11) HB ILE 7 - H ARG 30 far 0 99 0 - 5.3-5.6 HB3 GLU 28 - H ARG 30 far 0 71 0 - 6.7-7.2 HG12 ILE 56 - H ARG 30 far 0 100 0 - 8.4-8.9 HG LEU 57 - H ARG 30 far 0 79 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 6489 from nnoeabs.peaks (8.50, 9.09, 125.04 ppm; 4.03 A): 1 out of 4 assignments used, quality = 0.56: H ILE 7 + H ARG 30 OK 56 61 100 92 3.7-3.9 3.6/8698=56, 8238=40...(10) ! H THR 31 - H ARG 30 far 0 100 0 - 4.4-4.5 H VAL 32 - H ARG 30 far 0 96 0 - 6.5-6.8 H VAL 54 - H ARG 30 far 0 100 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 6490 from nnoeabs.peaks (8.50, 8.50, 114.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 31 + H THR 31 OK 100 100 - 100 Peak 6491 from nnoeabs.peaks (9.09, 8.50, 114.75 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + H THR 31 OK 100 100 100 100 4.4-4.5 4.6=99, 3.0/1319=89...(11) 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 = 0.99: * HA ARG 30 + H THR 31 OK 96 100 100 96 2.3-2.5 1319=72, 3.0/6493=33...(10) HA THR 31 + H THR 31 OK 87 90 100 97 2.9-2.9 3.0=88, 3.2/6501=34...(9) HA ILE 56 - H THR 31 far 0 75 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 6493 from nnoeabs.peaks (1.60, 8.50, 114.75 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 30 + H THR 31 OK 100 100 100 100 2.3-2.7 3.0/1319=64, 1328=62...(12) HG2 ARG 19 - H THR 31 far 0 94 0 - 5.9-8.3 HB3 LEU 29 - H THR 31 far 0 100 0 - 6.6-7.1 Violated in 0 structures by 0.00 A. Peak 6494 from nnoeabs.peaks (1.37, 8.50, 114.75 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 30 + H THR 31 OK 100 100 100 100 3.7-4.0 1.8/6493=85, 3.0/1319=75...(12) HG12 ILE 8 - H THR 31 far 0 99 0 - 7.2-8.1 HG3 LYS 40 - H THR 31 far 0 98 0 - 7.6-9.1 Violated in 0 structures by 0.00 A. Peak 6495 from nnoeabs.peaks (1.29, 8.50, 114.75 ppm; 5.03 A increased from 4.74 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 30 + H THR 31 OK 100 100 100 100 4.4-4.8 1.8/6496=91, 2.9/6493=90...(11) Violated in 0 structures by 0.00 A. Peak 6496 from nnoeabs.peaks (1.53, 8.50, 114.75 ppm; 4.50 A increased from 4.23 A): 1 out of 6 assignments used, quality = 1.00: * HG3 ARG 30 + H THR 31 OK 100 100 100 100 3.4-4.3 2.9/6493=79, 3.9/1319=72...(11) HG LEU 6 - H THR 31 far 0 100 0 - 6.0-6.6 HB ILE 7 - H THR 31 far 0 99 0 - 6.6-6.9 HG3 LYS 33 - H THR 31 far 0 84 0 - 6.7-6.8 HG2 LYS 33 - H THR 31 far 0 94 0 - 6.9-7.2 HB3 GLU 28 - H THR 31 far 0 71 0 - 9.9-10.3 Violated in 0 structures by 0.00 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 3.4-5.0 1364=100, 1.8/6498=95...(10) HB3 TYR 41 - H THR 31 far 0 68 0 - 6.8-7.4 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 2.2-4.4 1373=75, 1366/1319=72...(11) Violated in 0 structures by 0.00 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 98 2.3-2.5 1319=83, 3.0/6493=41...(10) HA ILE 56 - H THR 31 far 0 99 0 - 9.2-9.5 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 3.6-3.7 3.9=94, 2.1/6501=79...(6) 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 3.2-3.4 4.0=60, 2.1/6500=54...(7) HB2 LEU 6 - H THR 31 far 0 59 0 - 7.2-7.7 HB2 LEU 29 - H THR 31 far 0 93 0 - 7.5-7.8 HG2 LYS 40 - H THR 31 far 0 95 0 - 8.8-10.8 QG2 THR 34 - H THR 31 far 0 70 0 - 9.4-9.7 Violated in 4 structures by 0.00 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 2.2-2.3 3.6=58, 3.0/1383=42...(6) HA ARG 30 - H VAL 32 far 0 90 0 - 6.2-6.4 HA ILE 56 - H VAL 32 far 0 99 0 - 7.4-7.7 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 = 1.00: * HB THR 31 + H VAL 32 OK 100 100 100 100 2.8-3.1 1383=100, 3.0/6505=67...(8) 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 3.3-3.6 4.0=85, 2.1/1383=82...(6) HB2 LEU 6 - H VAL 32 far 0 59 0 - 6.3-6.7 QG2 THR 34 - H VAL 32 far 0 70 0 - 7.2-7.5 HB2 LEU 29 - H VAL 32 far 0 93 0 - 9.5-9.9 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 - 7.1-7.2 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 = 0.98: * HB VAL 32 + H VAL 32 OK 98 100 100 98 2.6-2.7 1395=71, 2.1/1407=67...(10) HB2 GLU 37 - H VAL 32 far 0 63 0 - 5.6-6.1 HB3 LYS 33 - H VAL 32 far 0 85 0 - 6.5-6.7 HB2 LYS 33 - H VAL 32 far 0 88 0 - 6.5-6.7 HB3 LEU 14 - H VAL 32 far 0 61 0 - 9.5-10.3 HB3 ARG 19 - H VAL 32 far 0 99 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 6510 from nnoeabs.peaks (0.91, 8.48, 122.32 ppm; 3.92 A): 2 out of 4 assignments used, quality = 1.00: * QG1 VAL 32 + H VAL 32 OK 100 100 100 100 3.8-3.9 4.0=94, 2.1/1407=82...(10) HG13 ILE 8 + H VAL 32 OK 74 92 85 95 3.6-4.8 12203/6509=48...(8) HG13 ILE 7 - H VAL 32 far 0 97 0 - 5.4-6.7 QG2 VAL 5 - H VAL 32 far 0 57 0 - 9.3-9.6 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 = 1.00: * QG2 VAL 32 + H VAL 32 OK 99 100 100 99 2.8-3.0 1407=91, 2.1/6509=61...(9) QG2 ILE 7 + H VAL 32 OK 54 71 100 76 2.9-3.3 8255/6505=28...(7) QD2 LEU 38 - H VAL 32 far 0 99 0 - 4.6-4.8 QG2 ILE 15 - H VAL 32 far 0 90 0 - 5.1-5.7 QD1 LEU 38 - H VAL 32 far 0 79 0 - 7.0-7.2 QD2 LEU 57 - H VAL 32 far 0 65 0 - 7.6-8.9 QD1 LEU 70 - H VAL 32 far 0 96 0 - 8.8-9.8 QD1 LEU 57 - H VAL 32 far 0 100 0 - 9.2-9.5 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 4.3-4.5 4.6=100 H LEU 6 - H VAL 32 far 0 99 0 - 7.3-7.6 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 4.3-4.5 4.6=100 H THR 31 - H LYS 33 far 0 96 0 - 6.8-7.1 H ILE 7 - H LYS 33 far 0 90 0 - 7.9-8.4 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 2.2-2.2 1394=94, 3.2/6517=32...(14) HA SER 9 - H LYS 33 far 0 94 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 6516 from nnoeabs.peaks (1.94, 9.30, 123.65 ppm; 3.07 A): 2 out of 4 assignments used, quality = 0.94: HB2 LYS 33 + H LYS 33 OK 87 88 100 99 2.8-2.9 1424=67, 2.8/6523=40...(18) HB2 GLU 37 + H LYS 33 OK 55 63 100 87 2.6-3.1 1.8/8818=25, 3.0/8816=23...(11) HB3 LYS 33 - H LYS 33 far 0 85 0 - 3.7-3.8 ! HB VAL 32 - H LYS 33 far 0 100 0 - 4.0-4.2 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 2.0-2.4 1406=94, 3.2/6515=65...(17) HG13 ILE 8 - H LYS 33 far 0 92 0 - 4.8-7.5 HG13 ILE 7 - H LYS 33 far 0 97 0 - 9.1-10.8 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 3.8-4.0 1412=100, 2.1/6517=81...(14) QD2 LEU 38 - H LYS 33 far 0 99 0 - 5.0-5.6 QG2 ILE 7 - H LYS 33 far 0 71 0 - 6.5-6.9 QD1 LEU 38 - H LYS 33 far 0 79 0 - 7.2-7.7 QD1 LEU 70 - H LYS 33 far 0 96 0 - 7.8-8.7 QG2 ILE 15 - H LYS 33 far 0 90 0 - 7.8-8.5 QD2 LEU 70 - H LYS 33 far 0 87 0 - 9.3-10.6 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): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 33 + H LYS 33 OK 100 100 100 100 2.8-2.9 1424=80, 6532/6530=47...(18) HB3 LYS 33 - H LYS 33 far 0 100 0 - 3.7-3.8 HB VAL 32 - H LYS 33 far 0 88 0 - 4.0-4.2 HB ILE 8 - H LYS 33 far 0 90 0 - 7.6-8.0 Violated in 0 structures by 0.00 A. Peak 6521 from nnoeabs.peaks (1.92, 9.30, 123.65 ppm; 3.07 A): 1 out of 4 assignments used, quality = 0.99: HB2 LYS 33 + H LYS 33 OK 99 100 100 100 2.8-2.9 1435=80, 6533/6530=47...(18) ! HB3 LYS 33 - H LYS 33 far 0 100 0 - 3.7-3.8 HB VAL 32 - H LYS 33 far 0 85 0 - 4.0-4.2 HB ILE 8 - H LYS 33 far 0 92 0 - 7.6-8.0 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 4 assignments used, quality = 1.00: * HG2 LYS 33 + H LYS 33 OK 100 100 100 100 2.6-2.8 2.8/6520=70, 1446=64...(20) HG3 ARG 30 - H LYS 33 far 0 94 0 - 9.2-10.6 HG LEU 6 - H LYS 33 far 0 88 0 - 9.6-9.7 HB ILE 7 - H LYS 33 far 0 84 0 - 9.8-10.1 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 5 assignments used, quality = 1.00: * HG3 LYS 33 + H LYS 33 OK 100 100 100 100 2.8-3.0 2.8/6521=69, 1457=65...(21) HD3 LYS 40 - H LYS 33 far 0 59 0 - 6.9-9.3 HG3 ARG 30 - H LYS 33 far 0 84 0 - 9.2-10.6 HG LEU 6 - H LYS 33 far 0 91 0 - 9.6-9.7 HB ILE 7 - H LYS 33 far 0 94 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 6524 from nnoeabs.peaks (1.72, 9.30, 123.65 ppm; 5.12 A increased from 4.55 A): 2 out of 3 assignments used, quality = 1.00: * HD2 LYS 33 + H LYS 33 OK 100 100 100 100 4.8-5.0 3.5/6521=91, 3.0/6523=91...(23) HD3 LYS 33 + H LYS 33 OK 100 100 100 100 4.9-5.0 3.5/6521=91, 3.0/6523=91...(21) HG12 ILE 15 - H LYS 33 far 0 75 0 - 8.3-10.2 Violated in 0 structures by 0.00 A. Peak 6525 from nnoeabs.peaks (1.72, 9.30, 123.65 ppm; 5.12 A increased from 4.55 A): 2 out of 3 assignments used, quality = 1.00: HD2 LYS 33 + H LYS 33 OK 100 100 100 100 4.8-5.0 3.5/6521=91, 3.0/6523=91...(23) * HD3 LYS 33 + H LYS 33 OK 100 100 100 100 4.9-5.0 3.5/6521=91, 3.0/6523=91...(21) HG12 ILE 15 - H LYS 33 far 0 75 0 - 8.3-10.2 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 1.9-2.0 6530=100, 6532/6520=45...(19) 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 = 1.00: * H LYS 33 + H THR 34 OK 100 100 100 100 1.9-2.0 6528=84, 6521/6533=40...(19) Violated in 0 structures by 0.00 A. Peak 6531 from nnoeabs.peaks (4.53, 7.25, 106.30 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 33 + H THR 34 OK 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 6532 from nnoeabs.peaks (1.92, 7.25, 106.30 ppm; 3.22 A): 1 out of 4 assignments used, quality = 0.95: * HB2 LYS 33 + H THR 34 OK 95 100 100 95 2.8-3.2 6520/6530=54, 1434=48...(10) HB3 LYS 33 - H THR 34 far 0 100 0 - 4.0-4.3 HB VAL 32 - H THR 34 far 0 88 0 - 4.7-5.2 HB ILE 8 - H THR 34 far 0 90 0 - 7.8-8.4 Violated in 1 structures by 0.00 A. Peak 6533 from nnoeabs.peaks (1.92, 7.25, 106.30 ppm; 3.22 A): 1 out of 4 assignments used, quality = 0.95: HB2 LYS 33 + H THR 34 OK 95 100 100 95 2.8-3.2 6521/6530=54, 1445=48...(10) ! HB3 LYS 33 - H THR 34 far 0 100 0 - 4.0-4.3 HB VAL 32 - H THR 34 far 0 85 0 - 4.7-5.2 HB ILE 8 - H THR 34 far 0 92 0 - 7.8-8.4 Violated in 1 structures by 0.00 A. Peak 6534 from nnoeabs.peaks (1.55, 7.25, 106.30 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 33 + H THR 34 OK 100 100 100 100 3.9-4.2 2.8/6533=87...(9) Violated in 0 structures by 0.00 A. Peak 6535 from nnoeabs.peaks (1.50, 7.25, 106.30 ppm; 4.59 A increased from 4.32 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 33 + H THR 34 OK 100 100 100 100 4.4-4.5 2.8/6532=89...(8) HD3 LYS 40 - H THR 34 far 0 59 0 - 7.2-9.6 HG3 LYS 66 - H THR 34 far 0 99 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 6536 from nnoeabs.peaks (1.72, 7.25, 106.30 ppm; 6.08 A increased from 5.12 A): 2 out of 3 assignments used, quality = 1.00: * HD2 LYS 33 + H THR 34 OK 100 100 100 100 5.6-6.3 3.5/6532=99, 3.0/6534=94...(9) HD3 LYS 33 + H THR 34 OK 100 100 100 100 5.7-6.2 3.5/6532=99, 3.0/6534=94...(9) HG12 ILE 15 - H THR 34 far 0 75 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 6537 from nnoeabs.peaks (1.72, 7.25, 106.30 ppm; 6.08 A increased from 5.12 A): 2 out of 3 assignments used, quality = 1.00: HD2 LYS 33 + H THR 34 OK 100 100 100 100 5.6-6.3 3.5/6532=99, 3.0/6534=94...(9) * HD3 LYS 33 + H THR 34 OK 100 100 100 100 5.7-6.2 3.5/6532=99, 3.0/6534=94...(9) HG12 ILE 15 - H THR 34 far 0 75 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 6540 from nnoeabs.peaks (4.78, 7.25, 106.30 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 34 + H THR 34 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6541 from nnoeabs.peaks (4.59, 7.25, 106.30 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 34 + H THR 34 OK 100 100 100 100 3.8-4.0 4.0=100 HA ILE 8 - H THR 34 far 0 96 0 - 6.3-7.0 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 2.5-2.7 1522=85, 1523/3.0=60...(16) QG2 THR 31 - H THR 34 far 0 70 0 - 7.7-8.1 HG2 LYS 40 - H THR 34 far 0 95 0 - 9.3-10.4 HB2 LEU 6 - H THR 34 far 0 100 0 - 9.9-10.3 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 2.3-2.6 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 2.2-2.6 1521=86, 3.0/6546=59...(9) HA ILE 8 - H GLU 35 far 0 96 0 - 8.9-9.8 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 3.8-4.0 1526=91, 2.1/6547=84...(10) Violated in 0 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 2.8-2.8 3.0=100 HA GLU 63 - H GLU 35 far 0 82 0 - 6.7-8.1 HA LEU 38 - H GLU 35 far 0 98 0 - 7.2-7.7 HA ALA 67 - H GLU 35 far 0 71 0 - 8.1-9.0 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 2.4-2.8 1534=77, 1.8/6551=73...(16) HB2 GLU 37 - H GLU 35 far 0 77 0 - 5.2-5.9 HB2 GLU 62 - H GLU 35 far 0 99 0 - 8.4-9.7 QE MET 74 - H GLU 35 far 0 100 0 - 9.4-10.2 Violated in 0 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 2.3-2.7 1541=73, 1.8/6550=72...(13) HB3 LEU 38 - H GLU 35 far 0 99 0 - 4.9-6.2 HG3 GLU 37 - H GLU 35 far 0 79 0 - 5.2-7.2 HB3 GLU 62 - H GLU 35 far 0 99 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 6552 from nnoeabs.peaks (2.20, 9.17, 121.92 ppm; 4.68 A increased from 3.75 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 35 + H GLU 35 OK 100 100 100 100 4.3-4.6 4.9=87, 2.9/6551=85...(18) HG3 GLU 35 + H GLU 35 OK 100 100 100 100 4.3-4.6 4.9=87, 2.9/6551=85...(17) HB2 GLU 63 - H GLU 35 far 0 100 0 - 7.9-9.2 Violated in 0 structures by 0.00 A. Peak 6553 from nnoeabs.peaks (2.20, 9.17, 121.92 ppm; 4.68 A increased from 3.75 A): 2 out of 3 assignments used, quality = 1.00: HG2 GLU 35 + H GLU 35 OK 100 100 100 100 4.3-4.6 4.9=87, 2.9/6551=85...(18) * HG3 GLU 35 + H GLU 35 OK 100 100 100 100 4.3-4.6 4.9=87, 2.9/6551=85...(17) HB2 GLU 63 - H GLU 35 far 0 100 0 - 7.9-9.2 Violated in 0 structures by 0.00 A. Peak 6554 from nnoeabs.peaks (8.19, 9.17, 121.92 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 36 + H GLU 35 OK 100 100 100 100 2.6-2.7 6556=100, 8794/6547=57...(15) 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 2.6-2.7 6554=83, 6547/8794=51...(15) Violated in 0 structures by 0.00 A. Peak 6557 from nnoeabs.peaks (3.89, 8.19, 118.33 ppm; 3.89 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 35 + H ASP 36 OK 100 100 100 100 3.5-3.5 3.6=100 HA LEU 38 - H ASP 36 far 0 98 0 - 6.9-7.2 HA LYS 40 - H ASP 36 far 0 90 0 - 8.1-8.5 HA ALA 67 - H ASP 36 far 0 71 0 - 8.9-9.6 HA GLU 63 - H ASP 36 far 0 82 0 - 9.1-10.3 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 = 0.98: * HB2 GLU 35 + H ASP 36 OK 98 100 100 98 2.7-2.8 1540=65, 6550/6556=44...(10) HB2 GLU 37 - H ASP 36 far 0 77 0 - 4.7-5.2 QE MET 74 - H ASP 36 far 0 100 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 6559 from nnoeabs.peaks (2.08, 8.19, 118.33 ppm; 4.09 A increased from 3.63 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLU 35 + H ASP 36 OK 100 100 100 100 3.8-4.1 1.8/6558=90, 4.7=68...(9) HG3 GLU 37 + H ASP 36 OK 34 79 50 87 4.1-6.5 5.0/6565=44, 3.9/8795=33...(7) HB3 LEU 38 - H ASP 36 far 0 99 0 - 5.2-6.0 Violated in 0 structures by 0.00 A. Peak 6560 from nnoeabs.peaks (2.20, 8.19, 118.33 ppm; 4.47 A increased from 3.76 A): 1 out of 3 assignments used, quality = 0.90: * HG2 GLU 35 + H ASP 36 OK 90 100 90 100 3.6-5.0 2.9/6558=81...(11) HG3 GLU 35 - H ASP 36 poor 20 100 20 99 3.9-5.1 2.9/6558=81, 2.9/6559=52...(10) HG2 GLU 43 - H ASP 36 far 0 99 0 - 9.8-11.3 Violated in 2 structures by 0.05 A. Peak 6561 from nnoeabs.peaks (2.20, 8.19, 118.33 ppm; 4.47 A increased from 3.76 A): 1 out of 3 assignments used, quality = 0.90: HG2 GLU 35 + H ASP 36 OK 90 100 90 100 3.6-5.0 2.9/6558=81...(11) ! HG3 GLU 35 - H ASP 36 poor 20 100 20 99 3.9-5.1 2.9/6558=81, 2.9/6559=52...(10) HG2 GLU 43 - H ASP 36 far 0 99 0 - 9.8-11.3 Violated in 2 structures by 0.05 A. Peak 6562 from nnoeabs.peaks (4.29, 8.19, 118.33 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 36 + H ASP 36 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 6563 from nnoeabs.peaks (2.50, 8.19, 118.33 ppm; 2.81 A): 2 out of 2 assignments used, quality = 0.87: * HB2 ASP 36 + H ASP 36 OK 66 100 80 82 2.2-3.6 3.6=49, 1.8/1572=28...(8) HB3 ASP 36 + H ASP 36 OK 62 100 75 82 2.2-3.6 3.6=49, 1.8/1567=31...(10) Violated in 0 structures by 0.00 A. Peak 6564 from nnoeabs.peaks (2.51, 8.19, 118.33 ppm; 2.81 A): 2 out of 2 assignments used, quality = 0.87: HB2 ASP 36 + H ASP 36 OK 66 100 80 82 2.2-3.6 3.6=49, 1.8/1572=28...(8) * HB3 ASP 36 + H ASP 36 OK 62 100 75 82 2.2-3.6 3.6=49, 1.8/1567=31...(10) 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 2.7-2.9 6567=88, 6570/3.6=30...(12) 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 2.7-2.9 6565=100, 3.6/6570=33...(12) H LYS 68 - H LEU 64 far 0 43 0 - 5.8-6.1 H GLU 43 - H GLU 37 far 0 99 0 - 9.3-9.6 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 3.5-3.6 3.6=100 HA ASP 65 - H LEU 64 far 0 32 0 - 5.1-5.2 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 = 0.87: HB3 ASP 36 + H GLU 37 OK 83 100 90 92 2.4-3.8 4.0=52, 3.6/6565=44...(13) * HB2 ASP 36 + H GLU 37 OK 28 100 30 92 2.5-3.9 4.0=52, 3.6/6565=44...(12) HG3 GLU 63 - H LEU 64 far 0 41 0 - 4.5-4.7 HB2 ASP 61 - H LEU 64 far 0 42 0 - 5.2-5.3 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 = 0.87: * HB3 ASP 36 + H GLU 37 OK 83 100 90 92 2.4-3.8 4.0=52, 3.6/6565=44...(13) HB2 ASP 36 + H GLU 37 OK 28 100 30 92 2.5-3.9 4.0=52, 3.6/6565=44...(12) HG3 GLU 63 - H LEU 64 far 0 41 0 - 4.5-4.7 HB2 ASP 61 - H LEU 64 far 0 42 0 - 5.2-5.3 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 - 6.3-7.3 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 6 assignments used, quality = 1.00: * HB2 GLU 37 + H GLU 37 OK 100 100 100 100 2.3-2.7 1587=65, 1.8/1594=61...(17) HB2 GLU 62 - H LEU 64 far 0 20 0 - 4.7-5.0 HB2 GLU 35 - H GLU 37 far 0 77 0 - 5.1-5.3 HB VAL 32 - H GLU 37 far 0 63 0 - 6.6-6.8 QE MET 74 - H GLU 37 far 0 87 0 - 8.1-8.6 HB VAL 32 - H LEU 64 far 0 21 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 6573 from nnoeabs.peaks (2.13, 7.74, 120.70 ppm; 2.99 A): 2 out of 7 assignments used, quality = 0.91: HG3 GLU 37 + H GLU 37 OK 85 96 90 99 2.0-4.0 1.8/1601=46, 1608=41...(18) HB2 LEU 64 + H LEU 64 OK 38 39 100 96 2.2-2.3 2810=44, 1.8/2818=41...(17) ! HB3 GLU 37 - H GLU 37 far 0 100 0 - 3.5-3.6 HB3 GLU 62 - H LEU 64 far 0 21 0 - 4.9-5.4 HG2 GLU 69 - H LEU 64 far 0 43 0 - 8.0-8.3 HB2 GLU 69 - H LEU 64 far 0 43 0 - 8.1-8.4 HB3 GLU 69 - H LEU 64 far 0 43 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 6574 from nnoeabs.peaks (2.26, 7.74, 120.70 ppm; 3.86 A increased from 3.43 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 37 + H GLU 37 OK 100 100 100 100 2.3-3.7 1601=100, 1.8/1608=72...(18) HG2 GLU 63 - H LEU 64 far 0 21 0 - 4.7-5.3 HG2 GLU 62 - H LEU 64 far 0 42 0 - 5.6-6.9 HG3 GLU 62 - H LEU 64 far 0 42 0 - 5.8-6.9 Violated in 0 structures by 0.00 A. Peak 6575 from nnoeabs.peaks (2.11, 7.74, 120.70 ppm; 2.99 A): 2 out of 11 assignments used, quality = 0.94: * HG3 GLU 37 + H GLU 37 OK 89 100 90 99 2.0-4.0 1.8/1601=46, 1608=44...(19) HB2 LEU 64 + H LEU 64 OK 41 42 100 96 2.2-2.3 2810=46, 1.8/2818=41...(17) HB3 GLU 37 - H GLU 37 far 0 96 0 - 3.5-3.6 HB3 LEU 38 - H GLU 37 far 0 63 0 - 4.4-5.4 HB3 GLU 62 - H LEU 64 far 0 34 0 - 4.9-5.4 HB3 GLU 35 - H GLU 37 far 0 79 0 - 5.8-6.1 HG2 GLU 69 - H LEU 64 far 0 37 0 - 8.0-8.3 HB2 GLU 69 - H LEU 64 far 0 37 0 - 8.1-8.4 HB3 GLU 35 - H LEU 64 far 0 28 0 - 8.9-10.4 HB3 LEU 38 - H LEU 64 far 0 21 0 - 9.4-10.3 HB3 GLU 69 - H LEU 64 far 0 37 0 - 9.9-10.1 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 2.5-2.8 6579=96, 6581/6572=39...(20) Violated in 0 structures by 0.00 A. Peak 6577 from nnoeabs.peaks (8.08, 7.74, 120.70 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + H GLU 37 OK 100 100 100 100 4.1-4.4 6591/6576=82, 6594=79...(9) 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 2.5-2.8 6576=100, 6572/6581=40...(20) 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 - 8.6-8.8 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 4 assignments used, quality = 1.00: * HB2 GLU 37 + H LEU 38 OK 100 100 100 100 2.4-2.5 1593=63, 1.8/1600=57...(14) HB VAL 32 - H LEU 38 far 0 63 0 - 4.7-5.0 HB2 GLU 35 - H LEU 38 far 0 77 0 - 5.5-5.9 QE MET 74 - H LEU 38 far 0 87 0 - 6.9-7.3 Violated in 0 structures by 0.00 A. Peak 6582 from nnoeabs.peaks (2.13, 7.53, 119.20 ppm; 3.80 A increased from 3.20 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 37 + H LEU 38 OK 100 100 100 100 3.1-3.7 1.8/6581=79, 1600=74...(14) HG3 GLU 37 + H LEU 38 OK 43 96 45 100 3.9-4.9 3.0/6581=60, 1614=60...(14) Violated in 0 structures by 0.00 A. Peak 6583 from nnoeabs.peaks (2.26, 7.53, 119.20 ppm; 5.17 A increased from 4.60 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 37 + H LEU 38 OK 100 100 100 100 3.9-4.9 1607=98, 1.8/1614=95...(12) HG2 GLU 63 - H LEU 38 far 0 63 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 6584 from nnoeabs.peaks (2.11, 7.53, 119.20 ppm; 3.20 A): 2 out of 4 assignments used, quality = 0.71: HB3 LEU 38 + H LEU 38 OK 63 63 100 99 2.1-3.0 1.8/6586=74, 3.8=59...(19) HB3 GLU 37 + H LEU 38 OK 23 96 25 98 3.1-3.7 1.8/6581=58, 1600=41...(14) ! HG3 GLU 37 - H LEU 38 far 0 100 0 - 3.9-4.9 HB3 GLU 35 - H LEU 38 far 0 79 0 - 5.6-5.9 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 68 98 75 92 3.2-3.6 12057=49, 3.6/8941=26...(11) HA ALA 67 - H LEU 38 far 0 92 0 - 6.7-7.5 HA LYS 40 - H LEU 38 far 0 99 0 - 6.7-6.8 HA GLU 63 - H LEU 38 far 0 57 0 - 8.4-9.4 HA ALA 71 - H LEU 38 far 0 81 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 6586 from nnoeabs.peaks (1.46, 7.53, 119.20 ppm; 3.04 A): 1 out of 6 assignments used, quality = 0.98: * HB2 LEU 38 + H LEU 38 OK 98 100 100 98 2.1-2.9 1.8/6587=66, 1626=52...(23) HG LEU 38 - H LEU 38 far 0 100 0 - 4.5-4.5 HD2 LYS 40 - H LEU 38 far 0 99 0 - 5.7-7.6 HD3 LYS 40 - H LEU 38 far 0 99 0 - 5.8-8.0 HG3 LYS 39 - H LEU 38 far 0 97 0 - 6.9-7.5 HG3 LYS 66 - H LEU 38 far 0 61 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 6587 from nnoeabs.peaks (2.07, 7.53, 119.20 ppm; 3.13 A): 1 out of 4 assignments used, quality = 0.99: * HB3 LEU 38 + H LEU 38 OK 99 100 100 99 2.1-3.0 1.8/6586=71, 1634=59...(20) HG3 GLU 37 - H LEU 38 far 0 63 0 - 3.9-4.9 HB3 GLU 35 - H LEU 38 far 0 99 0 - 5.6-5.9 HB3 GLU 43 - H LEU 38 far 0 99 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 6588 from nnoeabs.peaks (1.46, 7.53, 119.20 ppm; 3.04 A): 1 out of 6 assignments used, quality = 0.98: HB2 LEU 38 + H LEU 38 OK 98 100 100 98 2.1-2.9 1.8/6587=66, 1626=52...(23) ! HG LEU 38 - H LEU 38 far 0 100 0 - 4.5-4.5 HD2 LYS 40 - H LEU 38 far 0 100 0 - 5.7-7.6 HD3 LYS 40 - H LEU 38 far 0 100 0 - 5.8-8.0 HG3 LYS 39 - H LEU 38 far 0 94 0 - 6.9-7.5 HG3 LYS 66 - H LEU 38 far 0 70 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 6589 from nnoeabs.peaks (0.82, 7.53, 119.20 ppm; 3.37 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 38 + H LEU 38 OK 99 100 100 99 3.4-3.7 3.1/6586=56, 3.1/6587=54...(18) QG2 VAL 32 + H LEU 38 OK 96 99 100 97 3.0-3.3 2.1/8937=60...(14) QD1 LEU 70 - H LEU 38 far 0 100 0 - 4.2-5.2 QD1 LEU 38 - H LEU 38 far 0 61 0 - 4.2-4.3 QD2 LEU 70 - H LEU 38 far 0 96 0 - 5.5-6.8 QG2 ILE 8 - H LEU 38 far 0 65 0 - 5.8-6.8 QG2 ILE 7 - H LEU 38 far 0 87 0 - 8.6-9.1 QD1 ILE 76 - H LEU 38 far 0 90 0 - 8.8-9.2 Violated in 0 structures by 0.00 A. Peak 6590 from nnoeabs.peaks (0.86, 7.53, 119.20 ppm; 3.37 A): 2 out of 4 assignments used, quality = 0.89: QG2 VAL 32 + H LEU 38 OK 73 79 100 93 3.0-3.3 2.1/8937=60...(13) QD2 LEU 38 + H LEU 38 OK 60 61 100 98 3.4-3.7 3.1/6588=56, 3.1/6587=54...(15) ! QD1 LEU 38 - H LEU 38 far 0 100 0 - 4.2-4.3 HG13 ILE 8 - H LEU 38 far 0 82 0 - 5.6-7.9 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 2.8-2.9 6596=91, 6600/6588=52...(20) Violated in 0 structures by 0.00 A. Peak 6592 from nnoeabs.peaks (7.63, 7.53, 119.20 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 40 + H LEU 38 OK 100 100 100 100 3.9-4.1 6616=91, 6618/6591=67...(13) H GLU 44 - H LEU 38 far 0 75 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 6593 from nnoeabs.peaks (8.08, 8.08, 116.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + H LYS 39 OK 100 100 - 100 Peak 6594 from nnoeabs.peaks (7.74, 8.08, 116.94 ppm; 5.01 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 37 + H LYS 39 OK 100 100 100 100 4.1-4.4 6577=100, 6576/6591=90...(9) H MET 74 - H LYS 39 far 0 100 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 6595 from nnoeabs.peaks (3.71, 8.08, 116.94 ppm; 5.45 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 37 + H LYS 39 OK 100 100 100 100 4.4-4.6 3.6/6591=92...(9) HA LEU 42 - H LYS 39 far 0 100 0 - 7.2-7.4 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 2.8-2.9 6591=100, 6588/6600=55...(20) 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 65 98 70 96 3.7-4.4 12057/6591=49...(10) HA LYS 40 - H LYS 39 far 0 99 0 - 5.1-5.2 HA ALA 67 - H LYS 39 far 0 92 0 - 6.3-7.1 HA ALA 71 - H LYS 39 far 0 81 0 - 7.5-8.3 HA GLU 43 - H LYS 39 far 0 99 0 - 8.5-8.8 HA GLU 63 - H LYS 39 far 0 57 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 6598 from nnoeabs.peaks (1.46, 8.08, 116.94 ppm; 3.36 A): 1 out of 7 assignments used, quality = 0.99: * HB2 LEU 38 + H LYS 39 OK 99 100 100 99 2.3-3.4 1.8/6599=65...(18) HG3 LYS 39 - H LYS 39 far 0 97 0 - 4.2-4.6 HG LEU 38 - H LYS 39 far 0 100 0 - 4.7-4.9 HD2 LYS 40 - H LYS 39 far 0 99 0 - 6.2-7.6 HD3 LYS 40 - H LYS 39 far 0 99 0 - 6.5-8.2 HG2 LYS 73 - H LYS 39 far 0 63 0 - 8.6-10.5 HG3 LYS 66 - H LYS 39 far 0 61 0 - 8.9-10.1 Violated in 2 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 = 0.99: * HB3 LEU 38 + H LYS 39 OK 99 100 100 99 2.4-3.6 1.8/6600=78, 1641=68...(12) HB3 GLU 35 - H LYS 39 far 0 99 0 - 5.5-6.3 HG3 GLU 37 - H LYS 39 far 0 63 0 - 6.0-7.3 HB3 GLU 43 - H LYS 39 far 0 99 0 - 7.4-8.4 HB2 MET 74 - H LYS 39 far 0 99 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 6600 from nnoeabs.peaks (1.46, 8.08, 116.94 ppm; 3.36 A): 1 out of 7 assignments used, quality = 0.99: HB2 LEU 38 + H LYS 39 OK 99 100 100 99 2.3-3.4 1.8/6599=65...(18) HG3 LYS 39 - H LYS 39 far 0 94 0 - 4.2-4.6 ! HG LEU 38 - H LYS 39 far 0 100 0 - 4.7-4.9 HD2 LYS 40 - H LYS 39 far 0 100 0 - 6.2-7.6 HD3 LYS 40 - H LYS 39 far 0 100 0 - 6.5-8.2 HG2 LYS 73 - H LYS 39 far 0 71 0 - 8.6-10.5 HG3 LYS 66 - H LYS 39 far 0 70 0 - 8.9-10.1 Violated in 2 structures by 0.00 A. Peak 6601 from nnoeabs.peaks (0.82, 8.08, 116.94 ppm; 3.67 A): 2 out of 7 assignments used, quality = 0.90: QD1 LEU 70 + H LYS 39 OK 75 100 85 89 3.2-4.2 ~10822=26, 10812=22...(16) QD1 LEU 38 + H LYS 39 OK 59 61 100 97 3.5-3.6 3.1/6600=59, 3.1/6599=56...(10) QD2 LEU 70 - H LYS 39 far 10 96 10 - 3.7-4.8 ! QD2 LEU 38 - H LYS 39 far 0 100 0 - 4.6-4.7 QG2 VAL 32 - H LYS 39 far 0 99 0 - 4.8-5.0 QD1 ILE 76 - H LYS 39 far 0 90 0 - 7.0-7.4 QG2 ILE 8 - H LYS 39 far 0 65 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 6602 from nnoeabs.peaks (0.86, 8.08, 116.94 ppm; 3.99 A): 1 out of 5 assignments used, quality = 0.99: * QD1 LEU 38 + H LYS 39 OK 99 100 100 99 3.5-3.6 3.1/6600=68, 3.1/6599=64...(12) QD2 LEU 38 - H LYS 39 far 0 61 0 - 4.6-4.7 QG2 VAL 32 - H LYS 39 far 0 79 0 - 4.8-5.0 HG13 ILE 8 - H LYS 39 far 0 82 0 - 7.9-9.6 QG2 ILE 76 - H LYS 39 far 0 88 0 - 9.1-9.5 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 2.8-2.8 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 4 assignments used, quality = 1.00: * HB2 LYS 39 + H LYS 39 OK 100 100 100 100 2.2-2.5 1.8/6605=68, 1680=63...(19) HB2 LEU 42 - H LYS 39 far 0 99 0 - 5.0-5.2 HB2 LYS 66 - H LYS 39 far 0 73 0 - 7.1-8.3 HG3 ARG 46 - H LYS 39 far 0 99 0 - 9.4-13.2 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 3 assignments used, quality = 0.99: * HB3 LYS 39 + H LYS 39 OK 99 100 100 99 2.5-2.9 1.8/6604=73, 4.0=58...(14) HG LEU 42 - H LYS 39 far 0 70 0 - 5.0-5.4 HB3 LYS 66 - H LYS 39 far 0 100 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 6606 from nnoeabs.peaks (1.34, 8.08, 116.94 ppm; 4.54 A increased from 4.27 A): 1 out of 5 assignments used, quality = 1.00: * HG2 LYS 39 + H LYS 39 OK 100 100 100 100 4.2-4.5 3.0/6604=86, 1702=85...(16) HB2 LEU 70 - H LYS 39 far 0 87 0 - 5.1-6.1 HG3 LYS 40 - H LYS 39 far 0 97 0 - 5.3-6.7 QB ALA 67 - H LYS 39 far 0 99 0 - 6.8-7.5 HG12 ILE 8 - H LYS 39 far 0 94 0 - 8.6-9.2 Violated in 0 structures by 0.00 A. Peak 6607 from nnoeabs.peaks (1.44, 8.08, 116.94 ppm; 3.40 A): 1 out of 6 assignments used, quality = 0.96: HB2 LEU 38 + H LYS 39 OK 96 97 100 99 2.3-3.4 1.8/6599=67...(18) ! HG3 LYS 39 - H LYS 39 far 0 100 0 - 4.2-4.6 HG LEU 38 - H LYS 39 far 0 94 0 - 4.7-4.9 HD2 LYS 40 - H LYS 39 far 0 88 0 - 6.2-7.6 HD3 LYS 40 - H LYS 39 far 0 87 0 - 6.5-8.2 QB ALA 71 - H LYS 39 far 0 75 0 - 7.0-7.5 Violated in 1 structures by 0.00 A. Peak 6608 from nnoeabs.peaks (1.65, 8.08, 116.94 ppm; 4.75 A increased from 4.00 A): 2 out of 6 assignments used, quality = 1.00: * HD2 LYS 39 + H LYS 39 OK 100 100 100 100 4.5-5.0 3.6/6604=80, 3.6/6605=79...(18) HB2 LYS 40 + H LYS 39 OK 98 99 100 99 4.3-4.6 6625/6618=85...(8) HB3 LYS 40 - H LYS 39 far 0 79 0 - 5.1-5.8 HD3 LYS 39 - H LYS 39 far 0 98 0 - 5.7-6.0 HB3 LEU 6 - H LYS 39 far 0 100 0 - 8.0-8.4 HD2 LYS 73 - H LYS 39 far 0 98 0 - 8.5-12.2 Violated in 0 structures by 0.00 A. Peak 6609 from nnoeabs.peaks (1.64, 8.08, 116.94 ppm; 4.75 A increased from 4.00 A): 2 out of 6 assignments used, quality = 1.00: HB2 LYS 40 + H LYS 39 OK 99 100 100 99 4.3-4.6 6625/6618=90...(8) HD2 LYS 39 + H LYS 39 OK 98 98 100 100 4.5-5.0 3.6/6604=80, 3.6/6605=79...(18) ! HD3 LYS 39 - H LYS 39 far 0 100 0 - 5.7-6.0 HB3 LEU 6 - H LYS 39 far 0 100 0 - 8.0-8.4 HD2 LYS 73 - H LYS 39 far 0 84 0 - 8.5-12.2 HB2 ARG 30 - H LYS 39 far 0 61 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 6612 from nnoeabs.peaks (7.63, 8.08, 116.94 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 40 + H LYS 39 OK 100 100 100 100 2.5-2.6 6618=100, 6620/6604=47...(15) H GLU 44 - H LYS 39 far 0 75 0 - 8.6-8.9 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 2 assignments used, quality = 1.00: * H TYR 41 + H LYS 39 OK 100 100 100 100 4.2-4.5 6642=100, 6644/6618=95...(11) HE ARG 30 - H LYS 39 far 0 70 0 - 9.8-13.0 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 3.2-3.4 1584=88, 1782/6625=56...(15) HA LEU 42 - H LYS 40 far 0 100 0 - 6.6-6.8 Violated in 0 structures by 0.00 A. Peak 6616 from nnoeabs.peaks (7.53, 7.63, 118.27 ppm; 4.25 A increased from 4.00 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + H LYS 40 OK 100 100 100 100 3.9-4.1 6592=100, 6591/6618=71...(13) Violated in 0 structures by 0.00 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 - 4.1-4.3 HA GLU 35 - H LYS 40 far 0 98 0 - 5.9-6.6 HA GLU 43 - H LYS 40 far 0 99 0 - 7.2-7.5 HA ALA 67 - H LYS 40 far 0 92 0 - 8.5-9.4 HA ALA 71 - H LYS 40 far 0 81 0 - 8.6-9.4 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 2.5-2.6 6612=87, 6604/6620=43...(15) Violated in 0 structures by 0.00 A. Peak 6619 from nnoeabs.peaks (3.61, 7.63, 118.27 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + H LYS 40 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 6620 from nnoeabs.peaks (1.80, 7.63, 118.27 ppm; 3.76 A increased from 3.54 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 39 + H LYS 40 OK 100 100 100 100 2.8-3.8 1690=84, 1.8/6621=62...(11) HB2 LEU 42 - H LYS 40 far 0 99 0 - 4.7-5.0 HG3 ARG 46 - H LYS 40 far 0 99 0 - 8.8-12.5 HB2 LYS 66 - H LYS 40 far 0 73 0 - 9.6-10.8 Violated in 3 structures by 0.00 A. Peak 6621 from nnoeabs.peaks (1.86, 7.63, 118.27 ppm; 4.22 A increased from 3.38 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 39 + H LYS 40 OK 100 100 100 100 2.9-4.1 1701=92, 1.8/6620=87...(11) HG LEU 42 - H LYS 40 far 0 70 0 - 5.3-5.7 Violated in 0 structures by 0.00 A. Peak 6622 from nnoeabs.peaks (1.34, 7.63, 118.27 ppm; 4.36 A increased from 3.67 A): 2 out of 6 assignments used, quality = 0.98: HG3 LYS 40 + H LYS 40 OK 97 97 100 100 3.2-4.3 2.9/6625=89, 1817=79...(14) * HG2 LYS 39 + H LYS 40 OK 35 100 35 100 4.4-5.2 3.0/6620=73, 3.0/6621=65...(13) HB2 LEU 70 - H LYS 40 far 0 87 0 - 7.1-8.2 QB ALA 67 - H LYS 40 far 0 99 0 - 8.5-9.2 HB3 ARG 30 - H LYS 40 far 0 84 0 - 9.3-9.7 HG12 ILE 8 - H LYS 40 far 0 94 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 6623 from nnoeabs.peaks (1.44, 7.63, 118.27 ppm; 4.59 A increased from 4.08 A): 4 out of 6 assignments used, quality = 1.00: * HG3 LYS 39 + H LYS 40 OK 90 100 90 100 3.8-5.3 3.0/6620=79, 3.0/6621=71...(14) HB2 LEU 38 + H LYS 40 OK 86 97 90 98 4.6-5.2 6607/6618=78...(8) HD2 LYS 40 + H LYS 40 OK 62 88 70 100 4.3-5.2 3.5/6625=85, 3.5/1795=75...(13) HD3 LYS 40 + H LYS 40 OK 26 87 30 100 4.5-5.8 3.5/6625=85, 3.5/1795=75...(14) HG LEU 38 - H LYS 40 far 0 94 0 - 6.7-7.0 QB ALA 71 - H LYS 40 far 0 75 0 - 8.0-8.6 Violated in 0 structures by 0.00 A. Peak 6624 from nnoeabs.peaks (1.65, 7.63, 118.27 ppm; 2.83 A): 2 out of 6 assignments used, quality = 0.98: HB2 LYS 40 + H LYS 40 OK 96 99 100 97 2.1-2.3 1783=63, 1.8/1795=46...(16) HB3 LYS 40 + H LYS 40 OK 48 79 65 93 2.8-3.4 1.8/1783=53, 1795=37...(13) ! HD2 LYS 39 - H LYS 40 far 0 100 0 - 4.9-6.0 HD3 LYS 39 - H LYS 40 far 0 98 0 - 5.8-6.6 HB3 LEU 6 - H LYS 40 far 0 100 0 - 8.6-8.9 HD2 LYS 73 - H LYS 40 far 0 98 0 - 9.5-13.7 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 = 0.97: HB2 LYS 40 + H LYS 40 OK 97 100 100 97 2.1-2.3 1783=64, 1.8/1795=46...(16) HD2 LYS 39 - H LYS 40 far 0 98 0 - 4.9-6.0 ! HD3 LYS 39 - H LYS 40 far 0 100 0 - 5.8-6.6 HB3 LEU 6 - H LYS 40 far 0 100 0 - 8.6-8.9 HB2 ARG 30 - H LYS 40 far 0 61 0 - 8.7-9.0 HD2 LYS 73 - H LYS 40 far 0 84 0 - 9.5-13.7 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 - 4.1-4.3 HA GLU 35 - H LYS 40 far 0 90 0 - 5.9-6.6 HA GLU 43 - H LYS 40 far 0 94 0 - 7.2-7.5 HA ALA 67 - H LYS 40 far 0 99 0 - 8.5-9.4 HA ALA 71 - H LYS 40 far 0 93 0 - 8.6-9.4 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 = 0.98: * HB2 LYS 40 + H LYS 40 OK 97 100 100 97 2.1-2.3 1783=64, 1.8/1795=46...(16) HB3 LYS 40 + H LYS 40 OK 38 63 65 92 2.8-3.4 1.8/1783=53, 4.1=34...(13) HD2 LYS 39 - H LYS 40 far 0 99 0 - 4.9-6.0 HD3 LYS 39 - H LYS 40 far 0 100 0 - 5.8-6.6 HB3 LEU 6 - H LYS 40 far 0 100 0 - 8.6-8.9 HD2 LYS 73 - H LYS 40 far 0 91 0 - 9.5-13.7 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 = 0.84: * HB3 LYS 40 + H LYS 40 OK 62 100 65 95 2.8-3.4 1.8/1783=51, 1795=50...(15) HB2 LYS 40 + H LYS 40 OK 59 63 100 93 2.1-2.3 1.8/1795=45...(15) HD2 LYS 39 - H LYS 40 far 0 79 0 - 4.9-6.0 HB3 LEU 70 - H LYS 40 far 0 73 0 - 6.4-7.4 HG LEU 70 - H LYS 40 far 0 96 0 - 8.3-9.3 HB3 LEU 6 - H LYS 40 far 0 68 0 - 8.6-8.9 HD2 LYS 73 - H LYS 40 far 0 96 0 - 9.5-13.7 Violated in 0 structures by 0.00 A. Peak 6631 from nnoeabs.peaks (1.16, 7.63, 118.27 ppm; 4.53 A increased from 4.27 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 40 + H LYS 40 OK 100 100 100 100 4.2-4.5 2.9/6625=92, 1806=92...(17) QG2 THR 34 - H LYS 40 far 0 95 0 - 7.9-8.2 HB2 LEU 6 - H LYS 40 far 0 90 0 - 9.4-9.7 Violated in 3 structures by 0.00 A. Peak 6632 from nnoeabs.peaks (1.36, 7.63, 118.27 ppm; 4.36 A increased from 3.67 A): 2 out of 6 assignments used, quality = 1.00: * HG3 LYS 40 + H LYS 40 OK 100 100 100 100 3.2-4.3 2.9/6625=89, 1817=83...(14) HG2 LYS 39 + H LYS 40 OK 34 97 35 100 4.4-5.2 3.0/6620=73, 3.0/6621=65...(13) HB2 LEU 70 - H LYS 40 far 0 99 0 - 7.1-8.2 QB ALA 67 - H LYS 40 far 0 90 0 - 8.5-9.2 HB3 ARG 30 - H LYS 40 far 0 98 0 - 9.3-9.7 HG12 ILE 8 - H LYS 40 far 0 100 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 6633 from nnoeabs.peaks (1.46, 7.63, 118.27 ppm; 4.63 A increased from 3.90 A): 4 out of 5 assignments used, quality = 0.99: HB2 LEU 38 + H LYS 40 OK 88 99 90 99 4.6-5.2 6600/6618=80...(8) HG3 LYS 39 + H LYS 40 OK 79 88 90 100 3.8-5.3 3.0/6620=80, 3.0/6621=72...(14) * HD2 LYS 40 + H LYS 40 OK 70 100 70 100 4.3-5.2 3.5/6625=86, 3.5/1795=76...(13) HD3 LYS 40 + H LYS 40 OK 30 100 30 100 4.5-5.8 3.5/6625=86, 3.5/1795=76...(14) HG LEU 38 - H LYS 40 far 0 100 0 - 6.7-7.0 Violated in 0 structures by 0.00 A. Peak 6634 from nnoeabs.peaks (1.47, 7.63, 118.27 ppm; 4.63 A increased from 3.90 A): 4 out of 5 assignments used, quality = 0.99: HB2 LEU 38 + H LYS 40 OK 88 99 90 99 4.6-5.2 6600/6618=79...(8) HG3 LYS 39 + H LYS 40 OK 78 87 90 100 3.8-5.3 3.0/6620=80, 3.0/6621=72...(14) HD2 LYS 40 + H LYS 40 OK 70 100 70 100 4.3-5.2 3.5/6625=86, 3.5/1795=76...(13) * HD3 LYS 40 + H LYS 40 OK 30 100 30 100 4.5-5.8 3.5/6625=86, 3.5/1795=76...(14) HG LEU 38 - H LYS 40 far 0 100 0 - 6.7-7.0 Violated in 0 structures by 0.00 A. Peak 6637 from nnoeabs.peaks (7.82, 7.63, 118.27 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 41 + H LYS 40 OK 100 100 100 100 2.5-2.8 6644=100, 6646/6625=56...(19) HE ARG 30 - H LYS 40 far 0 70 0 - 8.7-11.6 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 = 0.99: * H LEU 42 + H LYS 40 OK 99 100 100 99 3.8-3.9 6659/6644=79...(9) H LEU 70 - H LYS 40 far 0 100 0 - 9.5-10.5 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): 1 out of 2 assignments used, quality = 1.00: * HA GLU 37 + H TYR 41 OK 100 100 100 100 3.8-4.2 6615/6644=69...(17) HA LEU 42 - H TYR 41 far 0 100 0 - 5.1-5.3 Violated in 0 structures by 0.00 A. Peak 6641 from nnoeabs.peaks (3.87, 7.82, 117.81 ppm; 3.77 A increased from 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=100 * HA LEU 38 + H TYR 41 OK 99 100 100 99 3.5-3.8 1623=52, 1890/6656=42...(16) HA GLU 43 - H TYR 41 far 0 99 0 - 6.8-7.0 HA GLU 35 - H TYR 41 far 0 98 0 - 7.5-8.1 HA ALA 71 - H TYR 41 far 0 81 0 - 8.7-9.6 HA ALA 67 - H TYR 41 far 0 92 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 6642 from nnoeabs.peaks (8.08, 7.82, 117.81 ppm; 4.86 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + H TYR 41 OK 100 100 100 100 4.2-4.5 6618/6644=86, 6613=71...(11) 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 4.3-4.7 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 2.5-2.8 6637=94, 6625/6646=54...(19) H GLU 44 - H TYR 41 far 0 75 0 - 5.2-5.4 Violated in 0 structures by 0.00 A. Peak 6645 from nnoeabs.peaks (3.86, 7.82, 117.81 ppm; 3.77 A increased from 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=100 HA LEU 38 + H TYR 41 OK 98 99 100 99 3.5-3.8 1623=51, 1890/6656=42...(16) HA GLU 43 - H TYR 41 far 0 94 0 - 6.8-7.0 HA GLU 35 - H TYR 41 far 0 90 0 - 7.5-8.1 HA ALA 71 - H TYR 41 far 0 93 0 - 8.7-9.6 HA ALA 67 - H TYR 41 far 0 99 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 6646 from nnoeabs.peaks (1.65, 7.82, 117.81 ppm; 3.27 A): 1 out of 5 assignments used, quality = 0.99: * HB2 LYS 40 + H TYR 41 OK 99 100 100 99 2.5-3.4 1793=58, 6625/6644=53...(18) HB3 LYS 40 - H TYR 41 far 0 63 0 - 3.9-4.1 HB3 LEU 6 - H TYR 41 far 0 100 0 - 7.1-7.4 HD2 LYS 39 - H TYR 41 far 0 99 0 - 7.2-8.1 HD3 LYS 39 - H TYR 41 far 0 100 0 - 7.8-8.4 Violated in 4 structures by 0.01 A. Peak 6647 from nnoeabs.peaks (1.68, 7.82, 117.81 ppm; 3.31 A): 1 out of 6 assignments used, quality = 0.62: HB2 LYS 40 + H TYR 41 OK 62 63 100 98 2.5-3.4 1.8/1805=44, 4.3=44...(18) ! HB3 LYS 40 - H TYR 41 far 0 100 0 - 3.9-4.1 HB3 LEU 6 - H TYR 41 far 0 68 0 - 7.1-7.4 HD2 LYS 39 - H TYR 41 far 0 79 0 - 7.2-8.1 HB3 LEU 70 - H TYR 41 far 0 73 0 - 7.8-8.7 HG LEU 70 - H TYR 41 far 0 96 0 - 9.9-11.0 Violated in 2 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 3.3-4.3 2.9/6646=88, 1816=84...(17) HB2 LEU 6 - H TYR 41 far 0 90 0 - 7.8-8.1 QG2 THR 34 - H TYR 41 far 0 95 0 - 8.8-9.1 QG2 THR 31 - H TYR 41 far 0 95 0 - 9.6-9.8 Violated in 0 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 2.3-3.1 2.9/6646=88, 1.8/6648=79...(17) HG2 LYS 39 - H TYR 41 far 0 97 0 - 6.0-6.9 HB3 ARG 30 - H TYR 41 far 0 98 0 - 6.9-7.2 HB2 LEU 70 - H TYR 41 far 0 99 0 - 8.2-9.3 QB ALA 67 - H TYR 41 far 0 90 0 - 8.6-9.3 HG12 ILE 8 - H TYR 41 far 0 100 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 6650 from nnoeabs.peaks (1.46, 7.82, 117.81 ppm; 5.36 A increased from 4.51 A): 3 out of 6 assignments used, quality = 1.00: * HD2 LYS 40 + H TYR 41 OK 100 100 100 100 4.5-5.4 3.5/6646=93, 3.0/6648=81...(16) HD3 LYS 40 + H TYR 41 OK 100 100 100 100 4.5-5.3 3.5/6646=93, 3.0/6648=81...(15) HB2 LEU 38 + H TYR 41 OK 45 99 45 100 5.4-6.0 3.0/1623=80, 3.1/8868=75...(10) HG3 LYS 39 - H TYR 41 far 9 88 10 - 5.5-7.2 HG LEU 38 - H TYR 41 far 0 100 0 - 6.9-7.3 HG2 LYS 47 - H TYR 41 far 0 82 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 6651 from nnoeabs.peaks (1.47, 7.82, 117.81 ppm; 5.36 A increased from 4.51 A): 3 out of 6 assignments used, quality = 1.00: * HD3 LYS 40 + H TYR 41 OK 100 100 100 100 4.5-5.3 3.5/6646=93, 3.0/6648=81...(15) HD2 LYS 40 + H TYR 41 OK 100 100 100 100 4.5-5.4 3.5/6646=93, 3.0/6648=81...(16) HB2 LEU 38 + H TYR 41 OK 44 99 45 100 5.4-6.0 3.0/1623=80, 3.1/8868=75...(10) HG3 LYS 39 - H TYR 41 far 9 87 10 - 5.5-7.2 HG LEU 38 - H TYR 41 far 0 100 0 - 6.9-7.3 HG2 LYS 47 - H TYR 41 far 0 84 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 6654 from nnoeabs.peaks (3.93, 7.82, 117.81 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 41 + H TYR 41 OK 100 100 100 100 2.8-2.9 3.0=100 HA GLU 44 - H TYR 41 far 0 99 0 - 7.9-8.2 Violated in 0 structures by 0.00 A. Peak 6655 from nnoeabs.peaks (2.31, 7.82, 117.81 ppm; 3.81 A increased from 3.59 A): 1 out of 4 assignments used, quality = 1.00: * HB2 TYR 41 + H TYR 41 OK 100 100 100 100 3.6-3.6 1883=98, 1.8/6656=86...(11) HG3 GLU 43 - H TYR 41 far 0 99 0 - 4.4-6.9 HG3 GLU 44 - H TYR 41 far 0 59 0 - 8.7-9.1 HB2 TYR 4 - H TYR 41 far 0 88 0 - 9.9-10.3 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 2.4-2.6 1891=66, 1.8/6655=57...(14) HD2 ARG 30 - H TYR 41 far 0 68 0 - 6.2-8.9 HG3 MET 74 - H TYR 41 far 0 96 0 - 8.3-10.7 Violated in 0 structures by 0.00 A. Peak 6657 from nnoeabs.peaks (6.83, 7.82, 117.81 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 41 + H TYR 41 OK 100 100 100 100 2.9-3.2 2.5/6656=72, 1876/3.0=65...(25) QE TYR 41 - H TYR 41 far 0 87 0 - 4.3-4.6 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...(15) 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 - 8.1-8.3 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; 4.31 A increased from 4.05 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 38 + H LEU 42 OK 98 100 100 98 4.3-4.6 1623/6659=52...(10) HA LYS 40 + H LEU 42 OK 93 99 100 94 4.0-4.3 3.6/6659=69, 2.9/6638=59...(7) HA GLU 43 - H LEU 42 far 0 99 0 - 5.1-5.2 HA ALA 71 - H LEU 42 far 0 81 0 - 6.6-7.3 HA GLU 35 - H LEU 42 far 0 98 0 - 8.2-8.9 HA ALA 67 - H LEU 42 far 0 92 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 6663 from nnoeabs.peaks (3.61, 7.96, 115.96 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + H LEU 42 OK 100 100 100 100 3.3-3.6 1677=76, 8953/6676=53...(12) Violated in 0 structures by 0.00 A. Peak 6664 from nnoeabs.peaks (7.63, 7.96, 115.96 ppm; 4.45 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 40 + H LEU 42 OK 100 100 100 100 3.8-3.9 6638=95, 6644/6659=77...(9) H GLU 44 + H LEU 42 OK 75 75 100 99 4.2-4.5 4.6/6685=56, 6702=54...(14) H GLU 48 - H LEU 42 far 0 95 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 6665 from nnoeabs.peaks (3.86, 7.96, 115.96 ppm; 4.31 A increased from 4.05 A): 2 out of 6 assignments used, quality = 1.00: HA LEU 38 + H LEU 42 OK 97 99 100 98 4.3-4.6 1623/6659=51...(10) * HA LYS 40 + H LEU 42 OK 94 100 100 94 4.0-4.3 3.6/6659=69, 2.9/6638=59...(7) HA GLU 43 - H LEU 42 far 0 94 0 - 5.1-5.2 HA ALA 71 - H LEU 42 far 0 93 0 - 6.6-7.3 HA GLU 35 - H LEU 42 far 0 90 0 - 8.2-8.9 HA ALA 67 - H LEU 42 far 0 99 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 6666 from nnoeabs.peaks (7.82, 7.96, 115.96 ppm; 3.40 A): 1 out of 2 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...(15) HE ARG 30 - H LEU 42 far 0 70 0 - 7.5-10.3 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 3.5-3.5 3.6=100 HA GLU 44 - H LEU 42 far 0 99 0 - 7.0-7.3 Violated in 0 structures by 0.00 A. Peak 6668 from nnoeabs.peaks (2.31, 7.96, 115.96 ppm; 4.13 A increased from 3.89 A): 2 out of 4 assignments used, quality = 1.00: * HB2 TYR 41 + H LEU 42 OK 100 100 100 100 3.8-4.0 4.1=100 HG3 GLU 43 + H LEU 42 OK 37 99 40 94 3.9-5.6 6696/6685=64...(7) HG3 GLU 44 - H LEU 42 far 0 59 0 - 8.0-8.6 HB2 TYR 4 - H LEU 42 far 0 88 0 - 8.7-9.1 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 2.8-3.0 4.1=72, 6656/6659=57...(13) HG3 MET 74 - H LEU 42 far 0 96 0 - 6.2-8.6 HD2 ARG 30 - H LEU 42 far 0 68 0 - 7.7-10.4 Violated in 0 structures by 0.00 A. Peak 6670 from nnoeabs.peaks (6.83, 7.96, 115.96 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 41 + H LEU 42 OK 100 100 100 100 4.3-4.5 4.6=100 QE TYR 41 - H LEU 42 far 0 87 0 - 6.2-6.4 Violated in 0 structures by 0.00 A. Peak 6672 from nnoeabs.peaks (3.70, 7.96, 115.96 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 42 + H LEU 42 OK 100 100 100 100 2.8-2.9 3.0=100 HA GLU 37 - H LEU 42 far 0 100 0 - 6.2-6.5 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 2.2-2.4 1.8/6674=60, 4.0=58...(18) HB2 LYS 39 - H LEU 42 far 0 99 0 - 5.4-5.9 HG3 ARG 46 - H LEU 42 far 0 92 0 - 5.8-9.4 HG2 ARG 46 - H LEU 42 far 0 94 0 - 7.4-9.6 HB VAL 78 - H LEU 42 far 0 82 0 - 8.7-9.2 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...(15) HG2 ARG 30 - H LEU 42 far 0 99 0 - 7.5-9.1 QB ALA 67 - H LEU 42 far 0 70 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 6675 from nnoeabs.peaks (1.90, 7.96, 115.96 ppm; 3.08 A): 1 out of 4 assignments used, quality = 0.99: * HG LEU 42 + H LEU 42 OK 99 100 100 99 2.5-2.8 1927=51, 2.1/6676=50...(18) HB3 LYS 39 - H LEU 42 far 0 70 0 - 5.4-5.9 HB2 GLU 43 - H LEU 42 far 0 99 0 - 6.0-6.2 HB VAL 54 - H LEU 42 far 0 99 0 - 7.4-8.1 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 8 assignments used, quality = 1.00: * QD1 LEU 42 + H LEU 42 OK 100 100 100 100 3.4-3.7 2.1/6675=79, 1935=59...(17) QD2 LEU 6 - H LEU 42 far 0 100 0 - 5.1-5.3 QG2 VAL 54 - H LEU 42 far 0 70 0 - 5.4-5.9 QD1 ILE 56 - H LEU 42 far 0 93 0 - 6.1-6.6 HG13 ILE 56 - H LEU 42 far 0 84 0 - 7.3-7.7 QD1 ILE 52 - H LEU 42 far 0 100 0 - 7.3-7.9 QG2 VAL 78 - H LEU 42 far 0 71 0 - 7.5-8.0 QD1 ILE 8 - H LEU 42 far 0 91 0 - 8.0-8.4 Violated in 2 structures by 0.00 A. Peak 6677 from nnoeabs.peaks (0.77, 7.96, 115.96 ppm; 3.87 A increased from 3.44 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 42 + H LEU 42 OK 100 100 100 100 3.7-3.9 2.1/6675=87, 1943=81...(13) QD1 LEU 6 + H LEU 42 OK 94 100 100 94 3.8-4.1 8876/6669=45...(8) QD1 ILE 76 - H LEU 42 far 0 70 0 - 4.7-4.9 QG1 VAL 54 - H LEU 42 far 0 100 0 - 5.4-6.1 QG1 VAL 78 - H LEU 42 far 0 91 0 - 6.2-6.6 QG2 ILE 52 - H LEU 42 far 0 98 0 - 8.2-8.7 QG2 ILE 8 - H LEU 42 far 0 92 0 - 9.9-10.8 Violated in 0 structures by 0.00 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 2.5-2.6 6685=100, 6687/6673=43...(15) H ASP 36 - H LEU 42 far 0 99 0 - 9.5-9.6 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 3 assignments used, quality = 1.00: * H GLU 44 + H LEU 42 OK 100 100 100 100 4.2-4.5 6702=74, 6697/6685=73...(14) H LYS 40 + H LEU 42 OK 73 75 100 97 3.8-3.9 3.6/6663=60, 6638=59...(9) H GLU 48 - H LEU 42 far 0 97 0 - 9.8-10.4 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 4.2-4.8 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 6 assignments used, quality = 0.95: HA GLU 43 + H GLU 43 OK 94 94 100 100 2.8-2.8 2.9=100 * HA LYS 40 + H GLU 43 OK 24 100 30 78 3.5-3.7 1779=31, 3.6/6683=26...(10) HA LEU 38 - H GLU 43 far 0 99 0 - 6.8-7.0 HA ALA 71 - H GLU 43 far 0 93 0 - 7.2-7.8 HB3 SER 49 - H GLU 43 far 0 99 0 - 9.5-10.8 HA GLU 35 - H GLU 43 far 0 90 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 6683 from nnoeabs.peaks (7.82, 8.19, 117.17 ppm; 4.69 A): 1 out of 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 - 8.1-12.1 Violated in 0 structures by 0.00 A. Peak 6684 from nnoeabs.peaks (3.93, 8.19, 117.17 ppm; 4.52 A increased from 4.02 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 41 + H GLU 43 OK 100 100 100 100 3.8-4.4 3.6/6685=74, 10583=68...(7) HA GLU 44 - H GLU 43 far 0 99 0 - 5.3-5.4 Violated in 0 structures by 0.00 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 2.5-2.6 6678=99, 6673/6687=43...(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 - 7.5-7.8 Violated in 0 structures by 0.00 A. Peak 6687 from nnoeabs.peaks (1.81, 8.19, 117.17 ppm; 3.76 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 42 + H GLU 43 OK 100 100 100 100 2.7-3.0 1.8/6688=66...(15) HG3 ARG 46 - H GLU 43 far 0 92 0 - 4.4-8.0 HB2 LYS 39 - H GLU 43 far 0 99 0 - 5.9-6.6 HG2 ARG 46 - H GLU 43 far 0 94 0 - 6.2-7.8 Violated in 0 structures by 0.00 A. Peak 6688 from nnoeabs.peaks (1.30, 8.19, 117.17 ppm; 4.06 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + H GLU 43 OK 100 100 100 100 3.5-3.8 1.8/6687=83, 4.6=67...(16) HG2 ARG 30 - H GLU 43 far 0 99 0 - 8.6-10.6 QB ALA 67 - H GLU 43 far 0 70 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 6689 from nnoeabs.peaks (1.90, 8.19, 117.17 ppm; 3.67 A increased from 3.26 A): 1 out of 5 assignments used, quality = 0.99: HB2 GLU 43 + H GLU 43 OK 99 99 100 100 3.6-3.6 1962=98, 1.8/6694=86...(15) ! HG LEU 42 - H GLU 43 far 0 100 0 - 4.6-4.7 HB3 LYS 39 - H GLU 43 far 0 70 0 - 5.5-6.8 HB3 LYS 47 - H GLU 43 far 0 81 0 - 8.2-8.9 HB VAL 54 - H GLU 43 far 0 99 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 6690 from nnoeabs.peaks (0.69, 8.19, 117.17 ppm; 4.75 A increased from 4.47 A): 1 out of 7 assignments used, quality = 1.00: * QD1 LEU 42 + H GLU 43 OK 100 100 100 100 4.5-4.8 3.1/6687=80...(15) QG2 VAL 54 - H GLU 43 far 0 70 0 - 6.5-6.9 QD2 LEU 6 - H GLU 43 far 0 100 0 - 6.9-7.2 QD1 ILE 52 - H GLU 43 far 0 100 0 - 7.2-7.6 QD1 ILE 56 - H GLU 43 far 0 93 0 - 7.8-8.4 QG2 VAL 78 - H GLU 43 far 0 71 0 - 8.6-9.3 HG13 ILE 56 - H GLU 43 far 0 84 0 - 9.6-10.1 Violated in 3 structures by 0.00 A. Peak 6691 from nnoeabs.peaks (0.77, 8.19, 117.17 ppm; 4.83 A increased from 4.29 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 42 + H GLU 43 OK 100 100 100 100 4.7-4.8 1944/3.6=84, 3.1/6687=82...(13) QD1 ILE 76 + H GLU 43 OK 67 70 100 97 4.4-4.7 9604/12303=69...(8) QD1 LEU 6 - H GLU 43 far 0 100 0 - 5.8-6.1 QG1 VAL 54 - H GLU 43 far 0 100 0 - 7.1-7.7 QG1 VAL 78 - H GLU 43 far 0 91 0 - 7.2-7.6 QG2 ILE 52 - H GLU 43 far 0 98 0 - 8.0-8.4 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 6 assignments used, quality = 1.00: * HA GLU 43 + H GLU 43 OK 100 100 100 100 2.8-2.8 2.9=100 HA LYS 40 + H GLU 43 OK 73 94 95 82 3.5-3.7 1779=33, 3.6/6683=29...(10) HA LEU 38 - H GLU 43 far 0 99 0 - 6.8-7.0 HA ALA 71 - H GLU 43 far 0 63 0 - 7.2-7.8 HB3 SER 49 - H GLU 43 far 0 84 0 - 9.5-10.8 HA GLU 35 - H GLU 43 far 0 100 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 6693 from nnoeabs.peaks (1.91, 8.19, 117.17 ppm; 3.67 A increased from 3.26 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 43 + H GLU 43 OK 100 100 100 100 3.6-3.6 1962=100, 1.8/6694=86...(15) HG LEU 42 - H GLU 43 far 0 99 0 - 4.6-4.7 HB3 LYS 47 - H GLU 43 far 0 94 0 - 8.2-8.9 HB VAL 54 - H GLU 43 far 0 91 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 6694 from nnoeabs.peaks (2.06, 8.19, 117.17 ppm; 3.15 A): 1 out of 4 assignments used, quality = 0.99: * HB3 GLU 43 + H GLU 43 OK 99 100 100 99 2.3-2.7 1970=84, 1.8/1962=56...(14) HB2 MET 74 - H GLU 43 far 0 100 0 - 6.1-7.2 HB3 LEU 38 - H GLU 43 far 0 99 0 - 7.7-8.9 HB3 GLU 48 - H GLU 43 far 0 95 0 - 9.9-10.8 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 2.1-2.9 1977=100, 1.8/6696=81...(15) HG2 GLU 35 - H GLU 43 far 0 99 0 - 9.2-11.6 HG3 GLU 35 - H GLU 43 far 0 99 0 - 9.7-11.6 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 2.2-3.3 1984=84, 1.8/1977=70...(19) HB2 TYR 41 - H GLU 43 far 0 99 0 - 5.3-5.7 HG3 GLU 44 - H GLU 43 far 0 75 0 - 7.1-7.3 HB2 TYR 4 - H GLU 43 far 0 75 0 - 9.8-10.3 HG2 GLU 48 - H GLU 43 far 0 99 0 - 10.0-13.2 Violated in 0 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 2.6-2.9 6704=98, 6707/6694=50...(15) H LYS 40 - H GLU 43 far 0 75 0 - 4.8-5.0 H GLU 48 - H GLU 43 far 0 97 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 6698 from nnoeabs.peaks (8.26, 8.19, 117.17 ppm; 4.27 A increased from 4.02 A): 1 out of 2 assignments used, quality = 0.97: * H PHE 45 + H GLU 43 OK 97 100 100 97 3.8-4.3 6722/6697=73...(6) H ALA 71 - H GLU 43 far 0 100 0 - 9.0-9.5 Violated in 2 structures by 0.00 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 - 4.8-5.2 HA LEU 38 - H GLU 44 far 0 99 0 - 8.3-8.6 HB3 SER 49 - H GLU 44 far 0 99 0 - 9.2-10.4 HA ALA 71 - H GLU 44 far 0 93 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 6701 from nnoeabs.peaks (3.93, 7.60, 120.47 ppm; 3.23 A): 1 out of 2 assignments used, quality = 0.99: HA GLU 44 + H GLU 44 OK 99 99 100 100 2.8-2.9 3.0=100 ! HA TYR 41 - H GLU 44 far 5 100 5 - 3.5-3.8 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 4.2-4.5 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 4.1-4.4 3.6/6697=84...(13) HA GLU 37 - H GLU 44 far 0 100 0 - 8.6-9.0 Violated in 0 structures by 0.00 A. Peak 6704 from nnoeabs.peaks (8.19, 7.60, 120.47 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 43 + H GLU 44 OK 100 100 100 100 2.6-2.9 6697=100, 6694/6707=50...(15) Violated in 0 structures by 0.00 A. Peak 6705 from nnoeabs.peaks (3.88, 7.60, 120.47 ppm; 3.63 A increased from 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=100 HA LYS 40 - H GLU 44 far 0 94 0 - 4.8-5.2 HA LEU 38 - H GLU 44 far 0 99 0 - 8.3-8.6 HB3 SER 49 - H GLU 44 far 0 84 0 - 9.2-10.4 HA ALA 71 - H GLU 44 far 0 63 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 6706 from nnoeabs.peaks (1.91, 7.60, 120.47 ppm; 3.79 A increased from 3.57 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 43 + H GLU 44 OK 100 100 100 100 3.3-3.8 1.8/6707=85, 1968=84...(7) HB3 LYS 47 - H GLU 44 far 0 94 0 - 6.2-6.7 HG LEU 42 - H GLU 44 far 0 99 0 - 6.3-6.6 HB VAL 54 - H GLU 44 far 0 91 0 - 9.4-10.2 Violated in 1 structures by 0.00 A. Peak 6707 from nnoeabs.peaks (2.06, 7.60, 120.47 ppm; 3.37 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 43 + H GLU 44 OK 100 100 100 100 2.4-2.7 1976=97, 1.8/6706=59...(8) HB2 MET 74 - H GLU 44 far 0 100 0 - 7.8-9.0 HB3 GLU 48 - H GLU 44 far 0 95 0 - 8.0-9.0 HB3 LEU 38 - H GLU 44 far 0 99 0 - 10.0-10.9 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 4.1-4.7 3.0/1976=89, 3.0/6706=84...(10) Violated in 0 structures by 0.00 A. Peak 6709 from nnoeabs.peaks (2.32, 7.60, 120.47 ppm; 4.66 A increased from 4.14 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 43 + H GLU 44 OK 100 100 100 100 3.9-4.9 3.0/6707=86, 3.0/6706=79...(9) HG3 GLU 44 + H GLU 44 OK 75 75 100 100 4.4-4.5 4.8=93, 1.8/2017=83...(17) HB2 TYR 41 - H GLU 44 far 0 99 0 - 5.3-5.6 HG2 GLU 48 - H GLU 44 far 0 99 0 - 7.8-11.1 HB2 TYR 4 - H GLU 44 far 0 75 0 - 8.8-9.7 HB2 GLU 48 - H GLU 44 far 0 87 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 6710 from nnoeabs.peaks (3.94, 7.60, 120.47 ppm; 3.23 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 44 + H GLU 44 OK 100 100 100 100 2.8-2.9 3.0=100 HA TYR 41 - H GLU 44 far 5 99 5 - 3.5-3.8 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 96 100 100 96 2.3-2.4 3.9=36, 6724/6722=34...(19) HB3 GLU 44 + H GLU 44 OK 93 100 100 93 2.7-2.8 3.9=36, 1.8/2010=28...(19) HB2 ARG 46 - H GLU 44 far 0 84 0 - 4.8-6.7 QE MET 74 - H GLU 44 far 0 100 0 - 4.9-5.7 HB2 LYS 47 - H GLU 44 far 0 73 0 - 7.5-7.7 HB3 MET 74 - H GLU 44 far 0 61 0 - 8.6-9.6 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 96 100 100 96 2.3-2.4 3.9=36, 6724/6722=34...(19) * HB3 GLU 44 + H GLU 44 OK 93 100 100 93 2.7-2.8 3.9=36, 1.8/2010=28...(19) HB2 ARG 46 - H GLU 44 far 0 84 0 - 4.8-6.7 QE MET 74 - H GLU 44 far 0 100 0 - 4.9-5.7 HB2 LYS 47 - H GLU 44 far 0 73 0 - 7.5-7.7 HB3 MET 74 - H GLU 44 far 0 61 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 6713 from nnoeabs.peaks (2.13, 7.60, 120.47 ppm; 4.52 A increased from 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 44 + H GLU 44 OK 100 100 100 100 4.3-4.5 2017=100, 1995/3.0=79...(18) HB3 GLU 37 - H GLU 44 far 0 99 0 - 9.7-10.0 Violated in 1 structures by 0.00 A. Peak 6714 from nnoeabs.peaks (2.35, 7.60, 120.47 ppm; 4.75 A increased from 3.80 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLU 44 + H GLU 44 OK 100 100 100 100 4.4-4.5 4.8=98, 1.8/2017=85...(18) HG3 GLU 43 + H GLU 44 OK 75 75 100 100 3.9-4.9 3.0/6707=88, 3.0/6706=81...(9) HB2 TYR 41 - H GLU 44 far 0 59 0 - 5.3-5.6 HG2 GLU 48 - H GLU 44 far 0 92 0 - 7.8-11.1 Violated in 0 structures by 0.00 A. Peak 6715 from nnoeabs.peaks (8.26, 7.60, 120.47 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 45 + H GLU 44 OK 100 100 100 100 2.5-2.7 6722=100, 6725/3.9=39...(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 3.8-4.2 6741/6722=86...(10) 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): 1 out of 3 assignments used, quality = 0.99: HA GLU 44 + H PHE 45 OK 99 99 100 100 3.5-3.6 3.6=100 ! HA TYR 41 - H PHE 45 far 0 100 0 - 4.4-4.8 HA GLU 63 - H ALA 71 far 0 66 0 - 9.5-9.9 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 3.2-3.4 1906=81, 3.6/6698=51...(12) HA LEU 42 - H ALA 71 far 0 71 0 - 7.7-8.4 HB THR 80 - H ALA 71 far 0 54 0 - 7.8-8.7 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 3.8-4.3 6698=100, 6697/6722=90...(6) H LYS 68 + H ALA 71 OK 68 70 100 97 4.9-5.1 7116/7155=65...(10) H GLU 43 - H ALA 71 far 0 71 0 - 9.0-9.5 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 = 0.88: * HA GLU 43 + H PHE 45 OK 68 100 70 97 4.1-4.8 3.6/6722=67, 2.9/6698=60...(7) HA ALA 67 + H ALA 71 OK 42 49 100 85 4.0-4.4 2978/7155=38...(9) HA ALA 71 + H ALA 71 OK 38 38 100 100 2.8-2.8 3.0=100 HA LYS 40 - H PHE 45 far 0 94 0 - 6.8-7.3 HB3 SER 49 - H PHE 45 far 0 84 0 - 7.5-8.6 HA LEU 38 - H ALA 71 far 0 69 0 - 7.8-8.5 HA GLU 35 - H ALA 71 far 0 71 0 - 8.2-8.8 HA ALA 71 - H PHE 45 far 0 63 0 - 8.6-9.1 HA LEU 38 - H PHE 45 far 0 99 0 - 8.7-9.0 HA GLU 63 - H ALA 71 far 0 46 0 - 9.5-9.9 HA GLU 43 - H ALA 71 far 0 71 0 - 9.8-10.4 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 2.5-2.7 6715=100, 3.9/6724=39...(14) H GLU 48 - H PHE 45 far 0 97 0 - 5.2-5.8 H LYS 40 - H PHE 45 far 0 75 0 - 8.1-8.4 H LYS 40 - H ALA 71 far 0 46 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 6723 from nnoeabs.peaks (3.94, 8.26, 119.27 ppm; 3.88 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 44 + H PHE 45 OK 100 100 100 100 3.5-3.6 3.6=100 HA TYR 41 - H PHE 45 far 0 99 0 - 4.4-4.8 HA GLU 63 - H ALA 71 far 0 56 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 6724 from nnoeabs.peaks (2.00, 8.26, 119.27 ppm; 3.21 A): 1 out of 10 assignments used, quality = 0.96: * HB2 GLU 44 + H PHE 45 OK 96 100 100 96 2.5-3.0 2016=72, 3.9/6722=36...(10) HB3 GLU 44 - H PHE 45 far 0 100 0 - 3.9-4.2 HB2 ARG 46 - H PHE 45 far 0 84 0 - 4.3-6.1 QE MET 74 - H ALA 71 far 0 71 0 - 4.6-5.6 HB3 MET 74 - H ALA 71 far 0 36 0 - 4.8-5.8 QE MET 74 - H PHE 45 far 0 100 0 - 5.3-6.2 HB2 LYS 47 - H PHE 45 far 0 73 0 - 6.9-7.3 HB3 MET 74 - H PHE 45 far 0 61 0 - 8.0-9.3 HB2 ARG 46 - H ALA 71 far 0 53 0 - 8.9-12.0 HB2 GLU 35 - H ALA 71 far 0 70 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 6725 from nnoeabs.peaks (2.00, 8.26, 119.27 ppm; 3.21 A): 1 out of 10 assignments used, quality = 0.96: HB2 GLU 44 + H PHE 45 OK 96 100 100 96 2.5-3.0 2016=72, 3.9/6722=36...(10) ! HB3 GLU 44 - H PHE 45 far 0 100 0 - 3.9-4.2 HB2 ARG 46 - H PHE 45 far 0 84 0 - 4.3-6.1 QE MET 74 - H ALA 71 far 0 71 0 - 4.6-5.6 HB3 MET 74 - H ALA 71 far 0 36 0 - 4.8-5.8 QE MET 74 - H PHE 45 far 0 100 0 - 5.3-6.2 HB2 LYS 47 - H PHE 45 far 0 73 0 - 6.9-7.3 HB3 MET 74 - H PHE 45 far 0 61 0 - 8.0-9.3 HB2 ARG 46 - H ALA 71 far 0 53 0 - 8.9-12.0 HB2 GLU 35 - H ALA 71 far 0 70 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 6726 from nnoeabs.peaks (2.13, 8.26, 119.27 ppm; 4.43 A): 1 out of 6 assignments used, quality = 1.00: * HG2 GLU 44 + H PHE 45 OK 100 100 100 100 3.3-4.3 2023=85, 3.0/6724=84...(9) HB2 GLU 69 - H ALA 71 far 0 69 0 - 4.9-5.3 HB3 GLU 69 - H ALA 71 far 0 69 0 - 5.3-5.7 HB2 GLN 72 - H ALA 71 far 0 49 0 - 5.9-6.2 HG2 GLU 69 - H ALA 71 far 0 69 0 - 6.5-7.2 HG2 GLU 75 - H ALA 71 far 0 36 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 6727 from nnoeabs.peaks (2.35, 8.26, 119.27 ppm; 5.15 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 44 + H PHE 45 OK 100 100 100 100 3.8-4.7 2030=96, 3.0/6724=96...(9) HB2 TYR 41 + H PHE 45 OK 47 59 95 83 5.0-5.5 3.0/10584=69...(4) HG3 GLU 43 - H PHE 45 far 0 75 0 - 5.8-7.1 HG2 GLU 48 - H PHE 45 far 0 92 0 - 6.2-9.5 HG3 GLU 69 - H ALA 71 far 0 66 0 - 6.3-7.0 HG3 GLU 43 - H ALA 71 far 0 46 0 - 9.7-11.0 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): 1 out of 7 assignments used, quality = 0.96: * HB2 PHE 45 + H PHE 45 OK 96 100 100 96 2.4-2.6 3.7=67, 2.5/6731=45...(12) HB3 PHE 45 - H PHE 45 far 0 96 0 - 3.6-3.6 HE2 LYS 47 - H PHE 45 far 0 99 0 - 4.8-8.5 HE3 LYS 73 - H ALA 71 far 0 38 0 - 6.1-9.6 HE3 LYS 47 - H PHE 45 far 0 99 0 - 6.2-8.4 HE2 LYS 73 - H ALA 71 far 0 45 0 - 6.2-9.5 HB2 PHE 45 - H ALA 71 far 0 71 0 - 9.3-10.0 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 7 assignments used, quality = 0.96: HB2 PHE 45 + H PHE 45 OK 93 96 100 97 2.4-2.6 3.7=70, 2.5/6731=47...(13) * HB3 PHE 45 + H PHE 45 OK 38 100 40 95 3.6-3.6 3.7=70, 2.5/6731=47...(10) HE2 LYS 47 - H PHE 45 far 0 100 0 - 4.8-8.5 HE3 LYS 73 - H ALA 71 far 0 59 0 - 6.1-9.6 HE3 LYS 47 - H PHE 45 far 0 100 0 - 6.2-8.4 HE2 LYS 73 - H ALA 71 far 0 64 0 - 6.2-9.5 HB2 PHE 45 - H ALA 71 far 0 64 0 - 9.3-10.0 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 2.9-3.2 2.5/6729=79, 2035/3.0=68...(18) QD PHE 45 - H ALA 71 far 0 70 0 - 8.2-8.9 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 4.3-4.5 2.2/6731=99, 4.4/6729=84...(13) QE PHE 45 - H ALA 71 far 0 71 0 - 9.0-10.1 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 2.3-2.7 6741=100, 6743/6729=39...(13) 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 5 assignments used, quality = 1.00: * H LYS 47 + H PHE 45 OK 100 100 100 100 3.9-4.2 6759=100, 6755/6741=89...(10) HE22 GLN 72 - H ALA 71 far 2 46 5 - 5.2-7.2 HE ARG 46 - H PHE 45 far 0 100 0 - 5.9-9.5 HE ARG 46 - H ALA 71 far 0 71 0 - 9.3-11.6 H ILE 52 - H PHE 45 far 0 90 0 - 9.4-9.8 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 3.6-4.3 6719/6741=75...(11) HA LEU 14 + H GLU 16 OK 51 53 100 96 4.5-4.8 3.0/6204=73, 3.6/6222=48...(5) HA LYS 90 - H GLU 16 far 0 37 0 - 9.8-10.4 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 6 assignments used, quality = 1.00: * HA GLU 43 + H ARG 46 OK 99 100 100 99 3.4-3.8 1958=86, 3.6/6716=40...(12) HA LYS 12 + H GLU 16 OK 43 46 100 94 3.4-4.0 644/652=45, 8446/684=43...(9) HB3 SER 49 - H ARG 46 far 0 84 0 - 5.3-6.4 HA ALA 71 - H ARG 46 far 0 63 0 - 7.6-8.5 HA LYS 40 - H ARG 46 far 0 94 0 - 8.0-8.2 HA LEU 38 - H ARG 46 far 0 99 0 - 9.9-10.5 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 3.8-4.2 6722/6741=73, 6716=67...(9) H GLU 48 + H ARG 46 OK 85 97 90 98 4.2-4.6 6780/6755=72...(7) H LYS 40 - H ARG 46 far 0 75 0 - 9.3-9.5 HE22 GLN 50 - H ARG 46 far 0 90 0 - 9.3-14.4 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 3.8-4.6 3.6/6741=76...(5) HB3 SER 9 - H GLU 16 far 0 62 0 - 6.3-8.2 HA TYR 41 - H ARG 46 far 0 99 0 - 6.6-7.0 Violated in 1 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 2.3-2.7 6734=95, 6729/6743=37...(13) Violated in 0 structures by 0.00 A. Peak 6742 from nnoeabs.peaks (4.52, 8.02, 118.14 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 45 + H ARG 46 OK 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 6743 from nnoeabs.peaks (2.98, 8.02, 118.14 ppm; 3.52 A): 2 out of 12 assignments used, quality = 0.96: * HB2 PHE 45 + H ARG 46 OK 95 100 100 95 2.5-3.2 6729/6741=53, 4.5=49...(15) HB3 PHE 45 + H ARG 46 OK 25 96 30 88 3.7-4.2 4.5=49, 3.7/6741=46...(14) HE3 LYS 12 - H GLU 16 far 3 57 5 - 3.6-8.6 HE2 LYS 12 - H GLU 16 far 0 50 0 - 5.2-8.1 HE3 LYS 47 - H ARG 46 far 0 99 0 - 5.2-7.9 HE2 LYS 47 - H ARG 46 far 0 99 0 - 5.4-8.4 HE2 LYS 13 - H GLU 16 far 0 52 0 - 5.7-9.8 HE3 LYS 13 - H GLU 16 far 0 49 0 - 5.8-9.7 HB3 ASP 11 - H GLU 16 far 0 62 0 - 6.0-6.5 HB2 SER 9 - H GLU 16 far 0 64 0 - 6.5-8.1 HE2 LYS 33 - H GLU 16 far 0 34 0 - 9.3-11.0 HE3 LYS 33 - H GLU 16 far 0 34 0 - 9.4-12.3 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 = 0.94: HB2 PHE 45 + H ARG 46 OK 91 96 100 95 2.5-3.2 4.5=50, 6729/6741=48...(15) * HB3 PHE 45 + H ARG 46 OK 31 100 35 89 3.7-4.2 4.5=50, 3.7/6741=46...(14) HE3 LYS 12 - H GLU 16 far 3 65 5 - 3.6-8.6 HE3 LYS 47 - H ARG 46 far 0 100 0 - 5.2-7.9 HE2 LYS 47 - H ARG 46 far 0 100 0 - 5.4-8.4 HE2 LYS 13 - H GLU 16 far 0 64 0 - 5.7-9.8 HE3 LYS 13 - H GLU 16 far 0 63 0 - 5.8-9.7 HB3 ASP 11 - H GLU 16 far 0 47 0 - 6.0-6.5 HB2 SER 9 - H GLU 16 far 0 50 0 - 6.5-8.1 HE3 LYS 90 - H GLU 16 far 0 42 0 - 8.1-10.2 HG2 MET 21 - H GLU 16 far 0 47 0 - 9.4-11.3 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 4.3-4.6 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 6.1-6.4 9001/3.6=85...(6) 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 HA GLU 17 - H GLU 16 far 0 54 0 - 5.3-5.5 HB2 SER 49 - H ARG 46 far 0 96 0 - 5.5-7.1 HA PRO 86 - H GLU 16 far 0 58 0 - 7.1-7.6 HA LYS 20 - H GLU 16 far 0 53 0 - 8.2-9.0 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 = 0.94: HB3 ARG 46 + H ARG 46 OK 85 96 95 93 2.1-3.4 4.0=37, 1.8/2067=28...(19) * HB2 ARG 46 + H ARG 46 OK 61 100 65 93 2.1-3.6 4.0=37, 1.8/2077=29...(20) HB3 GLU 17 - H GLU 16 far 0 41 0 - 4.6-5.1 HB2 GLU 44 - H ARG 46 far 0 84 0 - 4.7-5.3 QE MET 74 - H ARG 46 far 0 82 0 - 4.8-5.5 HB3 GLU 44 - H ARG 46 far 0 84 0 - 5.4-6.1 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 - 6.4-7.9 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 = 0.95: * HB3 ARG 46 + H ARG 46 OK 89 100 95 94 2.1-3.4 4.0=37, 1.8/2067=28...(20) HB2 ARG 46 + H ARG 46 OK 58 96 65 93 2.1-3.6 4.0=37, 1.8/2077=29...(20) HB3 ARG 19 - H GLU 16 far 0 43 0 - 4.6-5.3 HB3 LYS 47 - H ARG 46 far 0 68 0 - 4.8-5.2 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 - 6.4-7.9 HB3 LYS 20 - H GLU 16 far 0 49 0 - 6.9-9.2 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 4 assignments used, quality = 0.43: * HG2 ARG 46 + H ARG 46 OK 25 100 25 99 3.4-4.6 2086=45, 1.8/2095=42...(22) HG3 ARG 46 + H ARG 46 OK 24 61 40 99 2.7-4.5 1.8/2086=43, 3.0/6750=40...(22) HB2 LYS 12 - H GLU 16 far 0 32 0 - 4.2-4.6 HB2 LEU 42 - H ARG 46 far 0 94 0 - 5.4-5.9 Violated in 12 structures by 0.25 A. Peak 6752 from nnoeabs.peaks (1.79, 8.02, 118.14 ppm; 4.54 A increased from 3.64 A): 2 out of 5 assignments used, quality = 1.00: * HG3 ARG 46 + H ARG 46 OK 100 100 100 100 2.7-4.5 2095=92, 1.8/2086=77...(23) HG2 ARG 46 + H ARG 46 OK 61 61 100 100 3.4-4.6 4.9=79, 1.8/2095=75...(22) HG3 ARG 19 - H GLU 16 far 2 47 5 - 4.8-6.0 HB2 LEU 42 - H ARG 46 far 0 92 0 - 5.4-5.9 HB VAL 78 - H ARG 46 far 0 100 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 6753 from nnoeabs.peaks (3.31, 8.02, 118.14 ppm; 5.33 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 46 + H ARG 46 OK 100 100 100 100 4.7-5.4 2104=98, 2105/3.0=81...(18) Violated in 2 structures by 0.00 A. Peak 6754 from nnoeabs.peaks (3.19, 8.02, 118.14 ppm; 4.96 A): 1 out of 4 assignments used, quality = 1.00: * HD3 ARG 46 + H ARG 46 OK 100 100 100 100 3.9-5.1 3.0/2086=73, 3.0/2095=72...(17) HD3 ARG 19 - H GLU 16 poor 19 58 35 93 3.7-7.3 ~8503=38, 10120/660=32...(10) HD2 ARG 19 - H GLU 16 poor 14 58 25 - 3.7-7.2 HB2 ASP 77 - H ARG 46 far 0 96 0 - 9.8-10.9 Violated in 4 structures by 0.01 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 - 4.1-7.0 HE ARG 19 - H GLU 16 far 0 55 0 - 5.1-8.1 H ILE 52 - H ARG 46 far 0 90 0 - 8.4-8.8 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; 5.43 A increased from 4.58 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 43 + H LYS 47 OK 98 100 100 98 4.8-5.4 1958/6755=84...(8) HB3 SER 49 + H LYS 47 OK 83 84 100 99 4.9-5.7 10174/3.6=87...(9) HA LYS 40 - H LYS 47 far 0 94 0 - 9.6-10.1 Violated in 0 structures by 0.00 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 3.7-3.9 1998=95, 12089/6773=53...(13) HA TYR 41 - H LYS 47 far 0 99 0 - 8.3-8.6 Violated in 0 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 3.9-4.2 6735=96, 6741/6755=88...(10) 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 3.5-4.0 3.6/6755=82...(9) 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 - 5.7-6.9 Violated in 0 structures by 0.00 A. Peak 6763 from nnoeabs.peaks (1.97, 7.47, 116.94 ppm; 3.57 A increased from 3.01 A): 3 out of 7 assignments used, quality = 1.00: HB2 LYS 47 + H LYS 47 OK 100 100 100 100 3.6-3.6 2134=89, 1.8/2146=73...(23) HB3 ARG 46 + H LYS 47 OK 85 96 100 89 2.8-3.9 4.7=45, 4.0/6755=44...(9) * HB2 ARG 46 + H LYS 47 OK 36 100 40 89 3.4-4.2 4.7=45, 4.0/6755=44...(9) HB2 GLU 44 - H LYS 47 far 0 84 0 - 5.6-5.8 HB3 GLU 44 - H LYS 47 far 0 84 0 - 5.8-6.1 QE MET 74 - H LYS 47 far 0 82 0 - 6.6-7.5 HB3 MET 74 - H LYS 47 far 0 98 0 - 8.5-10.0 Violated in 0 structures by 0.00 A. Peak 6764 from nnoeabs.peaks (1.96, 7.47, 116.94 ppm; 2.90 A): 2 out of 5 assignments used, quality = 0.77: HB3 LYS 47 + H LYS 47 OK 66 68 100 97 2.5-2.7 1.8/2134=44, 3.0/6773=39...(24) * HB3 ARG 46 + H LYS 47 OK 34 100 50 69 2.8-3.9 4.0/6755=27, 4.7=24...(8) HB2 ARG 46 - H LYS 47 far 0 96 0 - 3.4-4.2 HB2 LYS 47 - H LYS 47 far 0 99 0 - 3.6-3.6 HB3 MET 74 - H LYS 47 far 0 100 0 - 8.5-10.0 Violated in 0 structures by 0.00 A. Peak 6765 from nnoeabs.peaks (1.82, 7.47, 116.94 ppm; 5.28 A increased from 4.23 A): 2 out of 3 assignments used, quality = 0.99: * HG2 ARG 46 + H LYS 47 OK 98 100 100 98 3.8-5.4 2086/6755=75, 2094=47...(8) HG3 ARG 46 + H LYS 47 OK 59 61 100 96 4.3-5.3 4.9/6755=71, 1.8/2094=42...(8) HB2 LEU 42 - H LYS 47 far 0 94 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 6766 from nnoeabs.peaks (1.79, 7.47, 116.94 ppm; 5.22 A increased from 4.39 A): 2 out of 3 assignments used, quality = 0.99: * HG3 ARG 46 + H LYS 47 OK 98 100 100 98 4.3-5.3 2095/6755=73...(8) HG2 ARG 46 + H LYS 47 OK 58 61 100 95 3.8-5.4 4.9/6755=69, 3.0/6770=37...(8) HB2 LEU 42 - H LYS 47 far 0 92 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 6769 from nnoeabs.peaks (4.14, 7.47, 116.94 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 47 + H LYS 47 OK 100 100 100 100 2.7-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 6770 from nnoeabs.peaks (1.97, 7.47, 116.94 ppm; 3.57 A increased from 3.01 A): 3 out of 7 assignments used, quality = 1.00: * HB2 LYS 47 + H LYS 47 OK 100 100 100 100 3.6-3.6 2134=90, 1.8/2146=73...(23) HB3 ARG 46 + H LYS 47 OK 88 99 100 89 2.8-3.9 4.7=45, 4.0/6755=44...(9) HB2 ARG 46 + H LYS 47 OK 36 100 40 89 3.4-4.2 4.7=45, 4.0/6755=44...(9) HB2 GLU 44 - H LYS 47 far 0 73 0 - 5.6-5.8 HB3 GLU 44 - H LYS 47 far 0 73 0 - 5.8-6.1 QE MET 74 - H LYS 47 far 0 71 0 - 6.6-7.5 HB3 MET 74 - H LYS 47 far 0 100 0 - 8.5-10.0 Violated in 0 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 2.5-2.7 2146=57, 1.8/2134=46...(24) HB3 ARG 46 + H LYS 47 OK 28 68 60 68 2.8-3.9 4.0/6755=28, 4.7=25...(7) HB2 GLU 43 - H LYS 47 far 0 94 0 - 5.9-6.5 HB3 MET 74 - H LYS 47 far 0 61 0 - 8.5-10.0 HG LEU 42 - H LYS 47 far 0 81 0 - 9.0-9.4 HB VAL 54 - H LYS 47 far 0 59 0 - 9.6-10.4 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 2.0-3.6 1.8/6773=85, 2157=66...(31) HG13 ILE 52 - H LYS 47 far 0 70 0 - 7.3-7.8 HG LEU 2 - H LYS 47 far 0 87 0 - 9.6-10.5 Violated in 0 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...(28) HB ILE 76 - H LYS 47 far 0 90 0 - 8.5-9.2 Violated in 2 structures by 0.00 A. Peak 6774 from nnoeabs.peaks (1.68, 7.47, 116.94 ppm; 4.43 A increased from 3.94 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 47 + H LYS 47 OK 100 100 100 100 3.2-4.7 3.0/6773=82, 3.0/6772=74...(39) HD3 LYS 47 + H LYS 47 OK 100 100 100 100 3.7-4.5 3.0/6773=82, 3.0/6772=74...(37) HB ILE 52 - H LYS 47 far 0 99 0 - 6.1-6.6 HB2 LEU 2 - H LYS 47 far 0 91 0 - 8.2-9.4 HB ILE 76 - H LYS 47 far 0 65 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 6775 from nnoeabs.peaks (1.68, 7.47, 116.94 ppm; 4.43 A increased from 3.94 A): 2 out of 5 assignments used, quality = 1.00: HD2 LYS 47 + H LYS 47 OK 100 100 100 100 3.2-4.7 3.0/6773=82, 3.0/6772=74...(39) * HD3 LYS 47 + H LYS 47 OK 100 100 100 100 3.7-4.5 3.0/6773=82, 3.0/6772=74...(37) HB ILE 52 - H LYS 47 far 0 99 0 - 6.1-6.6 HB2 LEU 2 - H LYS 47 far 0 92 0 - 8.2-9.4 HB ILE 76 - H LYS 47 far 0 63 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 6776 from nnoeabs.peaks (2.97, 7.47, 116.94 ppm; 5.03 A increased from 4.73 A): 4 out of 4 assignments used, quality = 1.00: HB2 PHE 45 + H LYS 47 OK 98 99 100 99 4.8-5.1 4.5/6755=72, 3.0/6760=70...(8) HB3 PHE 45 + H LYS 47 OK 83 100 85 98 5.1-5.5 4.5/6755=72, 3.0/6760=70...(8) HE3 LYS 47 + H LYS 47 OK 80 100 80 100 3.7-5.9 3.8/6773=83, 3.8/6772=76...(29) * HE2 LYS 47 + H LYS 47 OK 55 100 55 100 3.9-6.1 3.8/6773=83, 3.8/6772=76...(28) Violated in 0 structures by 0.00 A. Peak 6777 from nnoeabs.peaks (2.97, 7.47, 116.94 ppm; 5.03 A increased from 4.73 A): 4 out of 4 assignments used, quality = 1.00: HB2 PHE 45 + H LYS 47 OK 98 99 100 99 4.8-5.1 4.5/6755=72, 3.0/6760=70...(8) HB3 PHE 45 + H LYS 47 OK 83 100 85 98 5.1-5.5 4.5/6755=72, 3.0/6760=70...(8) * HE3 LYS 47 + H LYS 47 OK 80 100 80 100 3.7-5.9 3.8/6773=83, 3.8/6772=76...(29) HE2 LYS 47 + H LYS 47 OK 55 100 55 100 3.9-6.1 3.8/6773=83, 3.8/6772=76...(28) 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 2.4-2.8 6780=100, 6783/2146=37...(18) H GLU 44 - H LYS 47 far 0 97 0 - 5.1-5.4 HE22 GLN 50 - H LYS 47 far 0 99 0 - 7.2-13.4 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 2.4-2.8 6778=95, 2146/6783=36...(18) H ILE 52 - H GLU 48 far 0 90 0 - 5.9-6.5 HE ARG 46 - H GLU 48 far 0 100 0 - 6.4-9.1 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 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 6782 from nnoeabs.peaks (1.97, 7.62, 118.85 ppm; 4.10 A increased from 3.65 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LYS 47 + H GLU 48 OK 100 100 100 100 3.6-4.1 2144=100, 1.8/2156=73...(10) HB3 ARG 46 - H GLU 48 far 0 99 0 - 5.1-5.8 HB2 ARG 46 - H GLU 48 far 0 100 0 - 5.1-6.1 HB2 GLU 44 - H GLU 48 far 0 73 0 - 6.8-7.7 HB3 GLU 44 - H GLU 48 far 0 73 0 - 7.2-8.0 QE MET 74 - H GLU 48 far 0 71 0 - 8.4-9.0 QE MET 1 - H GLU 48 far 0 99 0 - 9.1-9.7 Violated in 1 structures by 0.00 A. Peak 6783 from nnoeabs.peaks (1.92, 7.62, 118.85 ppm; 3.63 A): 1 out of 4 assignments used, quality = 0.99: * HB3 LYS 47 + H GLU 48 OK 99 100 100 99 2.4-3.0 2156=63, 1.8/2144=60...(9) HB3 ARG 46 - H GLU 48 far 0 68 0 - 5.1-5.8 HB2 GLU 43 - H GLU 48 far 0 94 0 - 8.4-9.0 HB VAL 54 - H GLU 48 far 0 59 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 6784 from nnoeabs.peaks (1.49, 7.62, 118.85 ppm; 4.81 A): 1 out of 5 assignments used, quality = 1.00: * HG2 LYS 47 + H GLU 48 OK 100 100 100 100 3.9-5.0 3.0/6783=85...(10) HG13 ILE 52 - H GLU 48 far 0 70 0 - 5.5-6.1 HG LEU 2 - H GLU 48 far 0 87 0 - 7.0-7.9 HG2 LYS 53 - H GLU 48 far 0 81 0 - 9.4-10.2 HG3 LYS 53 - H GLU 48 far 0 88 0 - 9.7-10.4 Violated in 3 structures by 0.03 A. Peak 6785 from nnoeabs.peaks (1.62, 7.62, 118.85 ppm; 5.13 A increased from 4.83 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 47 + H GLU 48 OK 100 100 100 100 3.9-5.1 6773/6780=92...(10) HB ILE 76 - H GLU 48 far 0 90 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 6786 from nnoeabs.peaks (1.68, 7.62, 118.85 ppm; 4.95 A): 2 out of 5 assignments used, quality = 0.99: HB ILE 52 + H GLU 48 OK 99 99 100 100 4.1-4.3 3.2/9036=70...(12) HD3 LYS 47 + H GLU 48 OK 40 100 40 100 4.5-6.4 3.9/6783=75, 3.0/6784=69...(10) ! HD2 LYS 47 - H GLU 48 far 15 100 15 - 4.9-6.3 HB2 LEU 2 - H GLU 48 far 0 91 0 - 6.2-7.1 HB ILE 76 - H GLU 48 far 0 65 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 6787 from nnoeabs.peaks (1.68, 7.62, 118.85 ppm; 4.95 A): 2 out of 5 assignments used, quality = 0.99: HB ILE 52 + H GLU 48 OK 98 99 100 100 4.1-4.3 3.2/9036=70...(12) * HD3 LYS 47 + H GLU 48 OK 40 100 40 100 4.5-6.4 3.9/6783=75, 3.0/6784=69...(10) HD2 LYS 47 - H GLU 48 far 15 100 15 - 4.9-6.3 HB2 LEU 2 - H GLU 48 far 0 92 0 - 6.2-7.1 HB ILE 76 - H GLU 48 far 0 63 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 6788 from nnoeabs.peaks (2.97, 7.62, 118.85 ppm; 5.34 A): 2 out of 5 assignments used, quality = 0.99: HB3 PHE 45 + H GLU 48 OK 95 100 100 96 4.7-5.5 3.0/10190=83...(7) HB2 PHE 45 + H GLU 48 OK 71 99 75 95 5.3-6.0 3.0/10190=83...(6) HE3 LYS 47 - H GLU 48 poor 20 100 20 100 4.9-7.2 4.9/6783=70, 3.8/6784=69...(9) ! HE2 LYS 47 - H GLU 48 far 15 100 15 - 5.2-7.6 HB2 ASN 51 - H GLU 48 far 0 81 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 6789 from nnoeabs.peaks (2.97, 7.62, 118.85 ppm; 5.34 A): 2 out of 5 assignments used, quality = 0.99: HB3 PHE 45 + H GLU 48 OK 95 100 100 96 4.7-5.5 3.0/10190=83...(7) HB2 PHE 45 + H GLU 48 OK 71 99 75 95 5.3-6.0 3.0/10190=83...(6) ! HE3 LYS 47 - H GLU 48 poor 20 100 20 100 4.9-7.2 4.9/6783=70, 3.8/6784=69...(9) HE2 LYS 47 - H GLU 48 far 15 100 15 - 5.2-7.6 HB2 ASN 51 - H GLU 48 far 0 81 0 - 9.5-9.8 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 GLN 50 - H GLU 48 far 0 77 0 - 7.4-7.6 HA ILE 76 - H GLU 48 far 0 100 0 - 7.7-8.8 HA LEU 2 - H GLU 48 far 0 68 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 6791 from nnoeabs.peaks (2.30, 7.62, 118.85 ppm; 3.79 A increased from 3.19 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLU 48 + H GLU 48 OK 100 100 100 100 3.4-3.7 2230=96, 1.8/6792=88...(17) HG2 GLU 48 + H GLU 48 OK 57 68 85 99 2.7-4.2 3.0/6792=67, 3.0/2230=56...(11) HB2 TYR 4 - H GLU 48 far 0 100 0 - 8.1-9.4 HG3 GLU 43 - H GLU 48 far 0 87 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 6792 from nnoeabs.peaks (2.05, 7.62, 118.85 ppm; 3.20 A): 1 out of 4 assignments used, quality = 0.99: * HB3 GLU 48 + H GLU 48 OK 99 100 100 99 2.2-2.6 2237=76, 1.8/2230=52...(15) HB2 GLN 50 - H GLU 48 far 0 87 0 - 6.5-8.1 HB3 GLU 43 - H GLU 48 far 0 95 0 - 8.7-9.4 HB2 MET 74 - H GLU 48 far 0 96 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 6793 from nnoeabs.peaks (2.33, 7.62, 118.85 ppm; 3.74 A increased from 3.33 A): 2 out of 4 assignments used, quality = 0.95: * HG2 GLU 48 + H GLU 48 OK 85 100 85 100 2.7-4.2 2244=75, 3.0/6792=66...(13) HB2 GLU 48 + H GLU 48 OK 67 68 100 100 3.4-3.7 1.8/6792=87, 4.0=80...(16) HG3 GLU 44 - H GLU 48 far 0 92 0 - 5.3-6.8 HG3 GLU 43 - H GLU 48 far 0 99 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 6794 from nnoeabs.peaks (2.43, 7.62, 118.85 ppm; 4.64 A increased from 3.91 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 48 + H GLU 48 OK 100 100 100 100 4.1-4.6 2251=100, 1.8/2244=90...(13) HG2 GLN 50 - H GLU 48 far 0 79 0 - 5.5-8.8 HG3 GLN 50 - H GLU 48 far 0 100 0 - 6.0-9.0 HB3 TYR 4 - H GLU 48 far 0 79 0 - 9.2-10.4 Violated in 0 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 2.4-3.0 6797=88, 6798/3.0=53...(17) Violated in 0 structures by 0.00 A. Peak 6796 from nnoeabs.peaks (7.72, 7.72, 114.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 49 + H SER 49 OK 100 100 - 100 Peak 6797 from nnoeabs.peaks (7.62, 7.72, 114.22 ppm; 3.53 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 48 + H SER 49 OK 100 100 100 100 2.4-3.0 6795=100, 3.0/6798=58...(17) HE22 GLN 50 - H SER 49 far 0 99 0 - 4.2-8.6 H GLU 44 - H SER 49 far 0 97 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 6798 from nnoeabs.peaks (4.43, 7.72, 114.22 ppm; 3.37 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 48 + H SER 49 OK 100 100 100 100 2.7-3.5 3.6=85, 3.0/6795=53...(17) HA GLN 50 - H SER 49 far 0 77 0 - 5.1-5.3 HA ILE 76 - H SER 49 far 0 100 0 - 6.2-7.3 HA LEU 2 - H SER 49 far 0 68 0 - 8.7-10.7 Violated in 1 structures by 0.01 A. Peak 6799 from nnoeabs.peaks (2.30, 7.72, 114.22 ppm; 4.57 A increased from 4.06 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 48 + H SER 49 OK 100 100 100 100 2.2-4.4 2236=100, 1.8/6800=85...(15) HG2 GLU 48 - H SER 49 far 7 68 10 - 4.6-5.2 HB2 TYR 4 - H SER 49 far 0 100 0 - 8.8-10.7 Violated in 0 structures by 0.00 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 2.5-4.3 2243=88, 3.0/6798=77...(12) HB2 GLN 50 - H SER 49 far 0 87 0 - 4.9-6.4 HB2 MET 74 - H SER 49 far 0 96 0 - 8.7-10.0 Violated in 3 structures by 0.00 A. Peak 6801 from nnoeabs.peaks (2.33, 7.72, 114.22 ppm; 4.62 A increased from 4.35 A): 1 out of 3 assignments used, quality = 0.67: HB2 GLU 48 + H SER 49 OK 67 68 100 99 2.2-4.4 4.6=99 ! HG2 GLU 48 - H SER 49 poor 20 100 20 100 4.6-5.2 3.0/6800=70, 4.1/6798=68...(12) HG3 GLU 44 - H SER 49 far 0 92 0 - 8.0-9.1 Violated in 0 structures by 0.00 A. Peak 6802 from nnoeabs.peaks (2.43, 7.72, 114.22 ppm; 6.08 A increased from 4.86 A): 3 out of 3 assignments used, quality = 1.00: * HG3 GLU 48 + H SER 49 OK 100 100 100 100 4.4-6.0 2257=100, 3.0/6800=96...(12) HG3 GLN 50 + H SER 49 OK 73 100 75 97 4.0-7.2 5.1/6806=76, ~9051=51...(7) HG2 GLN 50 + H SER 49 OK 61 79 80 97 4.0-7.3 5.1/6806=76, ~9051=51...(7) Violated in 0 structures by 0.00 A. Peak 6803 from nnoeabs.peaks (4.24, 7.72, 114.22 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 49 + H SER 49 OK 100 100 100 100 2.3-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 6804 from nnoeabs.peaks (4.06, 7.72, 114.22 ppm; 3.73 A): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 49 + H SER 49 OK 99 100 100 99 2.8-3.9 3.9=85, 1.8/6805=74...(7) HA ARG 46 + H SER 49 OK 81 96 95 89 3.3-4.1 10174/3.9=41...(7) 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 2.1-3.1 2268=84, 1.8/6804=40...(11) HA GLU 43 - H SER 49 far 0 84 0 - 8.1-9.0 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 2.6-2.8 6808=89, 2262/2.9=68...(14) H ASN 51 - H SER 49 far 5 97 5 - 3.8-5.0 H LEU 2 - H SER 49 far 0 59 0 - 7.6-9.4 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 2.6-2.8 6806=100, 2.9/2262=72...(14) 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 3.2-3.5 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 3.0-4.6 4.3=100 HA ARG 46 - H GLN 50 far 0 96 0 - 5.9-6.5 Violated in 1 structures by 0.00 A. Peak 6811 from nnoeabs.peaks (3.86, 8.55, 120.13 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 49 + H GLN 50 OK 100 100 100 100 3.1-4.2 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 70 77 100 91 3.0-3.6 3.6/6806=46, 12314=38...(13) HA ILE 76 - H GLN 50 far 0 77 0 - 7.4-8.6 Violated in 0 structures by 0.00 A. Peak 6813 from nnoeabs.peaks (2.02, 8.55, 120.13 ppm; 3.77 A increased from 3.55 A): 1 out of 2 assignments used, quality = 0.99: * HB2 GLN 50 + H GLN 50 OK 99 100 100 99 2.4-3.6 4.0=83, 1.8/6814=71...(8) HB3 GLU 48 - H GLN 50 far 4 87 5 - 3.8-5.3 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 2.3-2.8 4.0=89, 1.8/6813=77...(12) HG2 MET 1 - H GLN 50 far 0 87 0 - 8.3-9.6 HB2 GLU 75 - H GLN 50 far 0 59 0 - 9.3-11.3 HB3 GLU 75 - H GLN 50 far 0 96 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 6815 from nnoeabs.peaks (2.40, 8.55, 120.13 ppm; 4.34 A increased from 3.85 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 50 + H GLN 50 OK 100 100 100 100 2.0-4.6 2.9/6813=73, 2.9/6814=71...(16) HG3 GLN 50 + H GLN 50 OK 75 75 100 100 1.9-4.6 2.9/6813=73, 2.9/6814=71...(14) HG3 GLU 48 - H GLN 50 far 4 79 5 - 4.6-6.5 Violated in 0 structures by 0.00 A. Peak 6816 from nnoeabs.peaks (2.43, 8.55, 120.13 ppm; 4.42 A increased from 3.72 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLN 50 + H GLN 50 OK 100 100 100 100 1.9-4.6 2.9/6813=75, 2305=74...(14) HG2 GLN 50 + H GLN 50 OK 75 75 100 100 2.0-4.6 2.9/6813=75, 2.9/6814=73...(15) HG3 GLU 48 - H GLN 50 far 5 100 5 - 4.6-6.5 Violated in 0 structures by 0.00 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 2.3-5.7 5.7=100 HA GLU 48 - HE21 GLN 50 poor 19 77 25 - 2.3-9.3 HA ILE 76 - HE21 GLN 50 far 0 77 0 - 8.9-14.0 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 4 assignments used, quality = 1.00: * HB3 GLN 50 + HE21 GLN 50 OK 100 100 100 100 3.4-5.4 4.5=100 HB2 GLU 75 - HE21 GLN 50 far 0 59 0 - 8.9-15.0 HB3 GLU 75 - HE21 GLN 50 far 0 96 0 - 9.5-15.3 HG2 MET 1 - HE21 GLN 50 far 0 87 0 - 9.8-13.0 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 3 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 2.1-4.1 3.5=100 HG3 GLU 48 - HE21 GLN 50 far 0 79 0 - 5.7-10.7 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 3 assignments used, quality = 1.00: * HG3 GLN 50 + HE21 GLN 50 OK 100 100 100 100 2.1-4.1 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 - 5.7-10.7 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; 3.78 A increased from 3.56 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 50 + H ASN 51 OK 100 100 100 100 3.5-3.6 3.6=100 HA GLU 48 - H ASN 51 far 4 77 5 - 4.1-5.1 HA ILE 76 - H ASN 51 far 0 77 0 - 8.4-9.5 HA SER 102 - H ASN 51 far 0 94 0 - 10.0-15.5 Violated in 0 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 = 0.99: * HB2 GLN 50 + H ASN 51 OK 99 100 100 99 3.1-4.1 1.8/6830=78, 4.6=74...(11) HB3 GLU 48 - H ASN 51 far 4 87 5 - 4.4-5.4 HB3 MET 1 - H ASN 51 far 0 91 0 - 7.3-8.2 Violated in 0 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 = 0.99: * HB3 GLN 50 + H ASN 51 OK 99 100 100 99 2.2-2.8 1.8/6829=75, 4.6=71...(12) HG2 MET 1 - H ASN 51 far 0 87 0 - 5.8-6.7 Violated in 0 structures by 0.00 A. Peak 6831 from nnoeabs.peaks (2.40, 8.53, 118.16 ppm; 4.59 A): 2 out of 4 assignments used, quality = 0.98: * HG2 GLN 50 + H ASN 51 OK 95 100 95 99 3.5-4.9 2.9/6830=73, 2.9/6829=72...(14) HG3 GLN 50 + H ASN 51 OK 71 75 95 99 3.7-5.0 2.9/6830=73, 2.9/6829=72...(13) HG3 GLU 48 - H ASN 51 far 8 79 10 - 4.5-6.1 HG3 MET 1 - H ASN 51 far 0 94 0 - 7.5-8.4 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 4 assignments used, quality = 0.95: * HG3 GLN 50 + H ASN 51 OK 84 100 85 99 3.7-5.0 2.9/6830=72, 2.9/6829=71...(13) HG2 GLN 50 + H ASN 51 OK 71 75 95 99 3.5-4.9 2.9/6830=72, 2.9/6829=71...(14) HG3 GLU 48 - H ASN 51 far 10 100 10 - 4.5-6.1 HG3 MET 1 - H ASN 51 far 0 98 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. Peak 6834 from nnoeabs.peaks (4.98, 8.53, 118.16 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 51 + H ASN 51 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6835 from nnoeabs.peaks (2.95, 8.53, 118.16 ppm; 4.00 A increased from 3.77 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 51 + H ASN 51 OK 100 100 100 100 3.8-4.0 4.0=98, 1.8/6836=89...(9) HB3 PHE 45 - H ASN 51 far 0 91 0 - 7.8-8.5 HB2 PHE 45 - H ASN 51 far 0 63 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 6836 from nnoeabs.peaks (2.67, 8.53, 118.16 ppm; 3.44 A): 1 out of 1 assignment used, quality = 0.96: * HB3 ASN 51 + H ASN 51 OK 96 100 100 96 3.0-3.5 4.0=62, 1.8/6835=56...(12) Violated in 1 structures by 0.00 A. Peak 6838 from nnoeabs.peaks (7.68, 8.53, 118.16 ppm; 5.23 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 51 + H ASN 51 OK 100 100 100 100 2.8-4.4 3.5/6836=89, 3.5/6835=81...(16) Violated in 0 structures by 0.00 A. Peak 6839 from nnoeabs.peaks (7.49, 8.53, 118.16 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 52 + H ASN 51 OK 100 100 100 100 2.0-2.8 6853=100, 6854/3.0=66...(14) H LYS 47 - H ASN 51 far 0 90 0 - 8.3-8.7 HE ARG 46 - H ASN 51 far 0 87 0 - 9.6-12.6 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): 2 out of 3 assignments used, quality = 1.00: * H ASN 51 + HD21 ASN 51 OK 100 100 100 100 2.8-4.6 6836/3.5=88, 6835/3.5=80...(12) H GLN 50 + HD21 ASN 51 OK 23 97 25 96 4.8-6.1 3.0/9129=62, 4.0/9118=47...(9) H LEU 2 - HD21 ASN 51 far 13 85 15 - 4.4-7.0 Violated in 0 structures by 0.00 A. Peak 6842 from nnoeabs.peaks (4.98, 6.98, 112.98 ppm; 5.32 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 51 + HD21 ASN 51 OK 100 100 100 100 4.0-4.8 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 3.3-4.1 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 2.1-3.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 6845 from nnoeabs.peaks (7.68, 6.98, 112.98 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 51 + HD21 ASN 51 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 6846 from nnoeabs.peaks (7.68, 7.68, 112.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 51 + HD22 ASN 51 OK 100 100 - 100 Peak 6847 from nnoeabs.peaks (8.53, 7.68, 112.98 ppm; 5.08 A): 3 out of 3 assignments used, quality = 1.00: * H ASN 51 + HD22 ASN 51 OK 100 100 100 100 2.8-4.4 6838=92, 6836/3.5=86...(15) H LEU 2 + HD22 ASN 51 OK 55 85 65 99 4.6-6.4 3.6/8001=56, 4.7/9126=51...(9) H GLN 50 + HD22 ASN 51 OK 47 97 50 97 4.8-6.0 4.6/6838=50, ~9129=46...(13) 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 3.8-4.8 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 2.1-4.1 3.5=100 Violated in 3 structures by 0.03 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 1 assignment used, quality = 1.00: * HD21 ASN 51 + HD22 ASN 51 OK 100 100 100 100 1.7-1.7 1.7=100 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): 1 out of 4 assignments used, quality = 1.00: * H ASN 51 + H ILE 52 OK 100 100 100 100 2.0-2.8 6839=97, 3.0/6854=65...(14) H GLN 50 - H ILE 52 far 5 97 5 - 3.2-4.5 H LEU 2 - H ILE 52 far 0 85 0 - 4.8-5.2 H ARG 79 - H ILE 52 far 0 68 0 - 9.9-10.7 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 = 0.96: * HA ASN 51 + H ILE 52 OK 96 100 100 96 2.6-3.1 2319=87, 3.0/6853=40...(6) Violated in 0 structures by 0.00 A. Peak 6855 from nnoeabs.peaks (2.95, 7.49, 117.93 ppm; 4.63 A increased from 4.36 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 51 + H ILE 52 OK 100 100 100 100 4.4-4.7 4.6=100 HB3 PHE 45 - H ILE 52 far 0 91 0 - 6.4-6.9 HB2 PHE 45 - H ILE 52 far 0 63 0 - 7.6-8.3 Violated in 1 structures by 0.00 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 4.1-4.3 4.6=89, 3.0/6854=86...(9) 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 = 0.99: * HB ILE 52 + H ILE 52 OK 99 100 100 99 2.4-2.9 3.8=79, 2.1/6861=67...(14) HB2 LEU 2 - H ILE 52 far 0 75 0 - 4.3-4.7 HB3 LYS 53 - H ILE 52 far 0 96 0 - 6.3-6.6 HB ILE 76 - H ILE 52 far 0 84 0 - 8.4-9.5 Violated in 0 structures by 0.00 A. Peak 6861 from nnoeabs.peaks (0.78, 7.49, 117.93 ppm; 3.55 A): 1 out of 6 assignments used, quality = 0.99: * QG2 ILE 52 + H ILE 52 OK 99 100 100 99 2.0-2.6 2350=77, 2.1/6860=67...(15) QD2 LEU 2 - H ILE 52 far 0 77 0 - 5.2-6.0 QG1 VAL 78 - H ILE 52 far 0 71 0 - 6.6-7.7 QD1 ILE 76 - H ILE 52 far 0 90 0 - 7.6-8.5 QD2 LEU 42 - H ILE 52 far 0 98 0 - 8.4-8.9 QG1 VAL 54 - H ILE 52 far 0 95 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 6862 from nnoeabs.peaks (1.04, 7.49, 117.93 ppm; 4.77 A increased from 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 52 + H ILE 52 OK 100 100 100 100 4.5-4.7 2358=100, 3.0/6860=86...(10) Violated in 0 structures by 0.00 A. Peak 6863 from nnoeabs.peaks (1.46, 7.49, 117.93 ppm; 4.61 A increased from 3.88 A): 2 out of 6 assignments used, quality = 1.00: * HG13 ILE 52 + H ILE 52 OK 100 100 100 100 4.3-4.6 3.0/6860=83, 3.2/6861=79...(13) HG2 LYS 53 + H ILE 52 OK 75 100 100 75 4.2-4.6 10852/6861=30...(6) HG3 LYS 53 - H ILE 52 poor 20 99 20 - 4.5-5.4 HD2 LYS 53 - H ILE 52 far 0 100 0 - 6.1-7.1 HG13 ILE 76 - H ILE 52 far 0 91 0 - 7.9-9.1 HG2 LYS 47 - H ILE 52 far 0 70 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 6864 from nnoeabs.peaks (0.69, 7.49, 117.93 ppm; 4.63 A increased from 4.36 A): 1 out of 4 assignments used, quality = 1.00: * QD1 ILE 52 + H ILE 52 OK 100 100 100 100 4.2-4.6 4.8=90, 2377/6861=82...(13) QG2 VAL 54 - H ILE 52 far 0 57 0 - 5.9-6.4 QG2 VAL 78 - H ILE 52 far 0 82 0 - 9.0-9.9 QD2 LEU 27 - H ILE 52 far 0 68 0 - 9.4-10.4 Violated in 0 structures by 0.00 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 - 6.6-7.4 H ARG 79 - H ILE 52 far 0 73 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 6866 from nnoeabs.peaks (8.47, 8.47, 123.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 53 + H LYS 53 OK 100 100 - 100 Peak 6867 from nnoeabs.peaks (7.49, 8.47, 123.25 ppm; 4.97 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 52 + H LYS 53 OK 100 100 100 100 4.5-4.6 4.4=100 H LYS 47 - H LYS 53 far 0 90 0 - 9.2-10.0 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 2.2-2.3 2341=93, 3.2/6870=34...(22) Violated in 0 structures by 0.00 A. Peak 6869 from nnoeabs.peaks (1.67, 8.47, 123.25 ppm; 3.42 A): 2 out of 5 assignments used, quality = 0.96: HB3 LYS 53 + H LYS 53 OK 94 96 100 98 2.8-3.0 3.9=66, 8114/9182=37...(18) HB2 LEU 2 + H LYS 53 OK 24 75 50 63 3.1-3.9 8046/6868=24...(9) ! HB ILE 52 - H LYS 53 far 0 100 0 - 4.0-4.2 HB ILE 76 - H LYS 53 far 0 84 0 - 8.7-9.6 HB3 ARG 79 - H LYS 53 far 0 96 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 6870 from nnoeabs.peaks (0.78, 8.47, 123.25 ppm; 3.92 A increased from 3.69 A): 1 out of 10 assignments used, quality = 1.00: * QG2 ILE 52 + H LYS 53 OK 100 100 100 100 3.1-3.7 2357=83, 3.2/6868=70...(15) QG1 VAL 78 - H LYS 53 far 0 71 0 - 5.6-6.4 QD2 LEU 2 - H LYS 53 far 0 77 0 - 5.7-5.9 QG1 VAL 54 - H LYS 53 far 0 95 0 - 5.8-6.2 QD1 LEU 27 - H LYS 53 far 0 99 0 - 6.6-7.5 QD2 LEU 42 - H LYS 53 far 0 98 0 - 7.3-7.8 QD1 ILE 76 - H LYS 53 far 0 90 0 - 7.8-8.7 QD1 LEU 6 - H LYS 53 far 0 99 0 - 8.0-8.7 QG2 ILE 93 - H LYS 53 far 0 81 0 - 9.6-10.4 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 2.1-3.1 3.8/6868=76, 3.2/6870=72...(15) HB3 LEU 55 - H LYS 53 far 0 97 0 - 7.4-9.0 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 7 assignments used, quality = 1.00: HG2 LYS 53 + H LYS 53 OK 99 100 100 99 3.1-3.8 3.0/6869=49, 5.0=40...(23) * HG13 ILE 52 + H LYS 53 OK 99 100 100 99 2.5-3.2 3.8/6868=54, 1.8/6871=51...(14) HG3 LYS 53 + H LYS 53 OK 98 99 100 100 2.9-3.2 3.0/6869=49, 5.0=40...(23) HD2 LYS 53 - H LYS 53 far 0 100 0 - 4.9-5.4 HB2 LEU 27 - H LYS 53 far 0 100 0 - 8.8-9.9 HG13 ILE 76 - H LYS 53 far 0 91 0 - 9.3-10.4 QB ALA 22 - H LYS 53 far 0 90 0 - 9.9-10.7 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 8 assignments used, quality = 1.00: * QD1 ILE 52 + H LYS 53 OK 100 100 100 100 3.8-4.2 2377/6870=75...(14) QG2 VAL 54 + H LYS 53 OK 52 57 100 90 3.8-4.2 ~9232=34, 9231/3.0=32...(12) QD2 LEU 27 - H LYS 53 far 0 68 0 - 6.1-7.2 QG2 VAL 78 - H LYS 53 far 0 82 0 - 7.9-8.6 QG1 VAL 5 - H LYS 53 far 0 73 0 - 8.4-9.1 QD1 ILE 56 - H LYS 53 far 0 98 0 - 8.9-9.5 QD2 LEU 6 - H LYS 53 far 0 99 0 - 9.4-10.0 QD1 LEU 42 - H LYS 53 far 0 100 0 - 9.9-10.4 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 4 assignments used, quality = 1.00: * HB2 LYS 53 + H LYS 53 OK 100 100 100 100 3.8-3.9 3.9=100 HB VAL 5 - H LYS 53 far 0 92 0 - 9.2-9.9 HG2 ARG 46 - H LYS 53 far 0 96 0 - 9.4-12.0 HB2 GLU 104 - H LYS 53 far 0 73 0 - 9.6-17.8 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 4 assignments used, quality = 0.99: * HB3 LYS 53 + H LYS 53 OK 98 100 100 98 2.8-3.0 3.9=66, 8114/9182=38...(18) HB2 LEU 2 + H LYS 53 OK 36 96 50 75 3.1-3.9 8046/6868=33...(10) HB ILE 52 - H LYS 53 far 0 96 0 - 4.0-4.2 HB3 ARG 79 - H LYS 53 far 0 75 0 - 8.8-10.6 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 7 assignments used, quality = 1.00: * HG2 LYS 53 + H LYS 53 OK 99 100 100 99 3.1-3.8 3.0/6869=49, 5.0=40...(23) HG3 LYS 53 + H LYS 53 OK 99 100 100 100 2.9-3.2 3.0/6869=49, 5.0=40...(24) HG13 ILE 52 + H LYS 53 OK 98 100 100 99 2.5-3.2 3.8/6868=54, 1.8/6871=51...(14) HD2 LYS 53 - H LYS 53 far 0 100 0 - 4.9-5.4 HB2 LEU 27 - H LYS 53 far 0 100 0 - 8.8-9.9 HG13 ILE 76 - H LYS 53 far 0 82 0 - 9.3-10.4 QB ALA 22 - H LYS 53 far 0 81 0 - 9.9-10.7 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 7 assignments used, quality = 1.00: * HG3 LYS 53 + H LYS 53 OK 100 100 100 100 2.9-3.2 3.0/6869=49, 5.0=40...(24) HG2 LYS 53 + H LYS 53 OK 99 100 100 99 3.1-3.8 3.0/6869=49, 5.0=40...(23) HG13 ILE 52 + H LYS 53 OK 97 99 100 99 2.5-3.2 3.8/6868=54, 1.8/6871=51...(14) HD2 LYS 53 - H LYS 53 far 0 99 0 - 4.9-5.4 HB2 LEU 27 - H LYS 53 far 0 99 0 - 8.8-9.9 HG13 ILE 76 - H LYS 53 far 0 73 0 - 9.3-10.4 QB ALA 22 - H LYS 53 far 0 71 0 - 9.9-10.7 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 7 assignments used, quality = 1.00: HG2 LYS 53 + H LYS 53 OK 99 100 100 99 3.1-3.8 3.0/6869=49, 5.0=40...(23) HG13 ILE 52 + H LYS 53 OK 99 100 100 99 2.5-3.2 3.8/6868=54, 1.8/6871=51...(14) HG3 LYS 53 + H LYS 53 OK 99 99 100 100 2.9-3.2 3.0/6869=49, 5.0=40...(23) ! HD2 LYS 53 - H LYS 53 far 0 100 0 - 4.9-5.4 HB2 LEU 27 - H LYS 53 far 0 100 0 - 8.8-9.9 HG13 ILE 76 - H LYS 53 far 0 88 0 - 9.3-10.4 QB ALA 22 - H LYS 53 far 0 87 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 6880 from nnoeabs.peaks (1.55, 8.47, 123.25 ppm; 5.46 A): 2 out of 9 assignments used, quality = 1.00: * HD3 LYS 53 + H LYS 53 OK 100 100 100 100 5.1-5.4 2451/3.9=90, 2389/3.0=86...(18) HB2 LEU 3 + H LYS 53 OK 100 100 100 100 5.2-5.7 3.0/9178=93, 3.1/9182=89...(7) HG LEU 2 - H LYS 53 poor 17 63 35 75 5.0-6.6 3.0/9184=37, 3.0/6876=26...(6) HB3 GLU 28 - H LYS 53 far 0 99 0 - 7.6-8.6 HG LEU 6 - H LYS 53 far 0 82 0 - 9.1-9.7 HG3 ARG 79 - H LYS 53 far 0 95 0 - 9.1-11.4 HG12 ILE 56 - H LYS 53 far 0 91 0 - 9.2-9.8 HG2 ARG 79 - H LYS 53 far 0 94 0 - 9.6-10.9 HG LEU 103 - H LYS 53 far 0 77 0 - 9.9-16.8 Violated in 0 structures by 0.00 A. Peak 6884 from nnoeabs.peaks (8.49, 8.49, 120.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 54 + H VAL 54 OK 100 100 - 100 Peak 6886 from nnoeabs.peaks (5.04, 8.49, 120.76 ppm; 2.96 A): 1 out of 1 assignment used, quality = 0.97: * HA LYS 53 + H VAL 54 OK 97 100 100 97 2.1-2.4 3.6=57, 3.0/6887=36...(20) Violated in 0 structures by 0.00 A. Peak 6887 from nnoeabs.peaks (1.84, 8.49, 120.76 ppm; 3.70 A increased from 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=69, 4.4=61...(13) HG2 ARG 46 - H VAL 54 far 0 96 0 - 8.6-11.6 HB VAL 5 - H VAL 54 far 0 92 0 - 8.8-9.2 HB2 GLU 104 - H VAL 54 far 0 73 0 - 9.3-18.0 HB2 LEU 42 - H VAL 54 far 0 70 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 6888 from nnoeabs.peaks (1.69, 8.49, 120.76 ppm; 4.43 A increased from 4.17 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 53 + H VAL 54 OK 100 100 100 100 3.5-4.2 4.4=100 HB3 ARG 79 - H VAL 54 far 0 75 0 - 5.8-7.4 HB ILE 52 - H VAL 54 far 0 96 0 - 6.6-7.7 HB2 LEU 2 - H VAL 54 far 0 96 0 - 7.1-7.8 HB3 LEU 6 - H VAL 54 far 0 63 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 6889 from nnoeabs.peaks (1.46, 8.49, 120.76 ppm; 4.94 A increased from 3.95 A): 1 out of 5 assignments used, quality = 1.00: * HG2 LYS 53 + H VAL 54 OK 100 100 100 100 4.3-4.8 3.0/6887=87, 3.9/6886=84...(15) HG3 LYS 53 - H VAL 54 far 15 100 15 - 5.1-5.6 HG13 ILE 52 - H VAL 54 far 0 100 0 - 5.3-6.8 HD2 LYS 53 - H VAL 54 far 0 100 0 - 5.8-6.8 HG13 ILE 76 - H VAL 54 far 0 82 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 6890 from nnoeabs.peaks (1.47, 8.49, 120.76 ppm; 4.94 A increased from 3.95 A): 1 out of 5 assignments used, quality = 1.00: HG2 LYS 53 + H VAL 54 OK 100 100 100 100 4.3-4.8 3.0/6887=87, 3.9/6886=84...(15) ! HG3 LYS 53 - H VAL 54 far 15 100 15 - 5.1-5.6 HG13 ILE 52 - H VAL 54 far 0 99 0 - 5.3-6.8 HD2 LYS 53 - H VAL 54 far 0 99 0 - 5.8-6.8 HG13 ILE 76 - H VAL 54 far 0 73 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 6891 from nnoeabs.peaks (1.46, 8.49, 120.76 ppm; 4.94 A increased from 3.95 A): 1 out of 5 assignments used, quality = 1.00: HG2 LYS 53 + H VAL 54 OK 100 100 100 100 4.3-4.8 3.0/6887=87, 3.9/6886=84...(15) HG3 LYS 53 - H VAL 54 far 15 99 15 - 5.1-5.6 HG13 ILE 52 - H VAL 54 far 0 100 0 - 5.3-6.8 ! HD2 LYS 53 - H VAL 54 far 0 100 0 - 5.8-6.8 HG13 ILE 76 - H VAL 54 far 0 88 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 6892 from nnoeabs.peaks (1.55, 8.49, 120.76 ppm; 6.09 A increased from 5.42 A): 2 out of 8 assignments used, quality = 1.00: * HD3 LYS 53 + H VAL 54 OK 100 100 100 100 4.5-6.1 3.6/6887=96...(10) HG12 ILE 56 + H VAL 54 OK 88 91 100 97 5.5-6.1 9689/11101=80...(6) HG3 ARG 79 - H VAL 54 far 5 95 5 - 5.9-8.5 HG2 ARG 79 - H VAL 54 far 0 94 0 - 6.9-8.2 HG LEU 6 - H VAL 54 far 0 82 0 - 7.1-7.8 HB2 LEU 3 - H VAL 54 far 0 100 0 - 7.9-8.5 HG LEU 2 - H VAL 54 far 0 63 0 - 9.1-10.5 HB3 GLU 28 - H VAL 54 far 0 99 0 - 9.7-10.5 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 66 71 100 93 2.1-2.7 3.2/6898=54...(10) HA LEU 3 - H VAL 54 far 0 75 0 - 5.2-5.6 HA TYR 4 - H VAL 54 far 0 96 0 - 6.9-7.1 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...(12) HG LEU 42 - H VAL 54 far 0 99 0 - 7.9-8.6 HB VAL 5 - H VAL 54 far 0 87 0 - 8.8-9.2 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 = 1.00: * QG2 VAL 54 + H VAL 54 OK 100 100 100 100 2.1-3.0 2493=94, 2.1/6896=71...(12) QD1 ILE 52 - H VAL 54 far 0 57 0 - 4.8-6.1 QD1 LEU 42 - H VAL 54 far 0 70 0 - 7.3-7.7 QD2 LEU 6 - H VAL 54 far 0 73 0 - 7.9-8.5 QD1 LEU 29 - H VAL 54 far 0 100 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 6898 from nnoeabs.peaks (0.76, 8.49, 120.76 ppm; 3.46 A): 1 out of 13 assignments used, quality = 0.92: QG1 VAL 78 + H VAL 54 OK 92 96 100 97 2.4-3.1 3495=55, 3.2/11101=48...(10) QG2 ILE 52 - H VAL 54 far 5 95 5 - 3.6-5.3 ! QG1 VAL 54 - H VAL 54 far 0 100 0 - 3.8-4.0 QD2 LEU 42 - H VAL 54 far 0 100 0 - 5.0-5.5 QD1 LEU 6 - H VAL 54 far 0 99 0 - 5.8-6.6 QD1 ILE 76 - H VAL 54 far 0 59 0 - 6.1-6.6 QG1 VAL 5 - H VAL 54 far 0 68 0 - 7.0-7.8 QD2 LEU 57 - H VAL 54 far 0 70 0 - 7.4-8.2 QD1 LEU 27 - H VAL 54 far 0 100 0 - 7.7-8.5 QD2 LEU 27 - H VAL 54 far 0 73 0 - 8.3-9.1 QG2 ILE 93 - H VAL 54 far 0 99 0 - 9.5-10.4 HG3 ARG 81 - H VAL 54 far 0 90 0 - 9.9-13.6 QD1 LEU 64 - H VAL 54 far 0 92 0 - 10.0-10.8 Violated in 0 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; 4.67 A increased from 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 4.6=100 H ARG 79 + H LEU 55 OK 96 99 100 97 4.5-4.9 11117/2.9=80...(6) H LYS 53 - H LEU 55 far 0 88 0 - 6.1-6.8 H ILE 7 - H LEU 55 far 0 73 0 - 7.1-7.6 H LEU 29 - H LEU 55 far 0 59 0 - 8.5-8.9 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, 3.2/6905=39...(11) HA TYR 4 - H LEU 55 far 0 96 0 - 4.8-5.3 HA VAL 78 - H LEU 55 far 0 71 0 - 5.0-5.6 HA LEU 3 - H LEU 55 far 0 75 0 - 5.8-6.5 HA ILE 7 - H LEU 55 far 0 81 0 - 7.7-8.1 Violated in 0 structures by 0.00 A. Peak 6903 from nnoeabs.peaks (1.89, 8.64, 131.90 ppm; 4.39 A): 1 out of 3 assignments used, quality = 1.00: * HB VAL 54 + H LEU 55 OK 100 100 100 100 3.7-4.3 2.1/6905=95, 4.5=93...(7) HB VAL 5 - H LEU 55 far 0 87 0 - 4.8-5.1 HG LEU 42 - H LEU 55 far 0 99 0 - 8.1-9.0 Violated in 0 structures by 0.00 A. Peak 6904 from nnoeabs.peaks (0.65, 8.64, 131.90 ppm; 4.21 A increased from 3.96 A): 1 out of 8 assignments used, quality = 1.00: * QG2 VAL 54 + H LEU 55 OK 100 100 100 100 3.9-4.2 4.1=100 QD2 LEU 6 - H LEU 55 far 0 73 0 - 5.7-6.3 QD1 LEU 29 - H LEU 55 far 0 100 0 - 6.3-6.9 QD1 ILE 52 - H LEU 55 far 0 57 0 - 6.5-7.8 QD2 LEU 29 - H LEU 55 far 0 98 0 - 7.4-8.3 QD1 LEU 42 - H LEU 55 far 0 70 0 - 7.9-8.7 QD1 ILE 7 - H LEU 55 far 0 70 0 - 8.9-9.5 QG2 VAL 58 - H LEU 55 far 0 91 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 6905 from nnoeabs.peaks (0.76, 8.64, 131.90 ppm; 3.17 A): 1 out of 16 assignments used, quality = 0.98: * QG1 VAL 54 + H LEU 55 OK 98 100 100 98 1.9-2.7 2504=59, 3.2/6902=50...(17) QG1 VAL 5 - H LEU 55 far 3 68 5 - 3.4-4.0 QD2 LEU 57 - H LEU 55 far 0 70 0 - 4.4-5.3 QD1 LEU 6 - H LEU 55 far 0 99 0 - 4.6-5.3 QG1 VAL 78 - H LEU 55 far 0 96 0 - 5.1-5.5 QD1 LEU 27 - H LEU 55 far 0 100 0 - 5.6-6.3 QD2 LEU 42 - H LEU 55 far 0 100 0 - 6.0-6.6 QG2 ILE 93 - H LEU 55 far 0 99 0 - 6.6-7.2 QG2 ILE 52 - H LEU 55 far 0 95 0 - 6.8-7.9 HG13 ILE 93 - H LEU 55 far 0 94 0 - 7.0-8.4 QD2 LEU 27 - H LEU 55 far 0 73 0 - 7.0-7.7 QD1 ILE 93 - H LEU 55 far 0 99 0 - 7.3-8.2 QG2 ILE 7 - H LEU 55 far 0 63 0 - 8.3-8.6 HG3 ARG 81 - H LEU 55 far 0 90 0 - 8.4-11.1 QD1 ILE 76 - H LEU 55 far 0 59 0 - 8.4-9.0 QD1 LEU 64 - H LEU 55 far 0 92 0 - 9.1-9.8 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 - 8.8-9.5 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 2.4-3.2 3.9=97, 1.8/6908=81...(13) 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 2.4-3.2 3.9=78, 1.8/6907=65...(12) HG12 ILE 52 - H LEU 55 far 0 97 0 - 6.4-7.4 HB3 ARG 81 - H LEU 55 far 0 77 0 - 8.1-8.7 QG1 VAL 83 - H LEU 55 far 0 95 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 6909 from nnoeabs.peaks (0.96, 8.64, 131.90 ppm; 3.78 A): 1 out of 5 assignments used, quality = 0.93: QG2 VAL 5 + H LEU 55 OK 93 94 100 99 2.8-3.5 3.2/9295=62, 12108=51...(14) ! HG LEU 55 - H LEU 55 far 0 100 0 - 4.3-4.6 QG2 THR 80 - H LEU 55 far 0 96 0 - 7.0-7.4 HB2 ARG 81 - H LEU 55 far 0 73 0 - 9.2-10.4 QG2 VAL 83 - H LEU 55 far 0 100 0 - 9.3-9.6 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 4.1-4.5 2537=100, 2538/2.9=88...(14) QD1 LEU 3 - H LEU 55 far 0 82 0 - 7.2-8.0 HG2 ARG 81 - H LEU 55 far 0 99 0 - 7.8-10.4 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 4.1-4.4 4.8=80, 3.1/6908=77...(11) 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 3.9-4.2 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 3.9-4.2 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 2.2-2.2 2512=88, 2538/2544=40...(17) HA LYS 82 - H ILE 56 far 0 75 0 - 8.6-8.9 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 4.3-4.6 4.5=100 Violated in 0 structures by 0.00 A. Peak 6917 from nnoeabs.peaks (1.03, 9.19, 126.37 ppm; 4.53 A increased from 4.27 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 55 + H ILE 56 OK 100 100 100 100 4.3-4.5 4.5=100 HB3 ARG 81 - H ILE 56 far 0 77 0 - 5.4-6.0 QG1 VAL 83 - H ILE 56 far 0 95 0 - 7.5-8.2 HG12 ILE 52 - H ILE 56 far 0 97 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 6918 from nnoeabs.peaks (0.96, 9.19, 126.37 ppm; 4.00 A increased from 3.77 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 55 + H ILE 56 OK 99 100 100 99 3.5-3.9 2.1/2544=83, 3.7/6915=63...(8) QG2 THR 80 + H ILE 56 OK 96 96 100 100 3.7-4.1 10914=75, 3.2/9299=61...(15) QG2 VAL 5 - H ILE 56 far 0 94 0 - 5.7-6.0 HB2 ARG 81 - H ILE 56 far 0 73 0 - 6.4-7.5 QG2 VAL 83 - H ILE 56 far 0 100 0 - 7.7-7.9 Violated in 0 structures by 0.00 A. Peak 6919 from nnoeabs.peaks (0.44, 9.19, 126.37 ppm; 3.59 A increased from 3.38 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 55 + H ILE 56 OK 100 100 100 100 3.2-3.5 2544=100, 2538/6915=57...(18) HG2 ARG 81 - H ILE 56 far 0 99 0 - 5.1-8.0 Violated in 0 structures by 0.00 A. Peak 6920 from nnoeabs.peaks (0.51, 9.19, 126.37 ppm; 5.17 A increased from 4.87 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 55 + H ILE 56 OK 100 100 100 100 4.9-5.1 2.1/2544=100, 2552=90...(9) Violated in 0 structures by 0.00 A. Peak 6921 from nnoeabs.peaks (4.88, 9.19, 126.37 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 56 + H ILE 56 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6922 from nnoeabs.peaks (1.76, 9.19, 126.37 ppm; 3.47 A): 2 out of 3 assignments used, quality = 1.00: * HB ILE 56 + H ILE 56 OK 100 100 100 100 2.5-2.6 3.8=75, 2.9/6924=51...(12) HB VAL 78 + H ILE 56 OK 72 95 90 84 3.4-4.2 7285/9697=30...(10) HD2 ARG 81 - H ILE 56 far 0 61 0 - 8.1-9.8 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 3.8-3.8 4.0=100 QD1 ILE 7 - H ILE 56 far 0 91 0 - 8.9-9.2 Violated in 0 structures by 0.00 A. Peak 6924 from nnoeabs.peaks (1.53, 9.19, 126.37 ppm; 3.69 A): 1 out of 7 assignments used, quality = 1.00: * HG12 ILE 56 + H ILE 56 OK 100 100 100 100 2.1-2.3 2557/3.0=54, 2577=51...(19) HG3 ARG 79 - H ILE 56 far 5 100 5 - 2.8-6.7 HG2 ARG 79 - H ILE 56 far 0 100 0 - 4.5-6.9 HG LEU 57 - H ILE 56 far 0 77 0 - 6.2-6.9 HG LEU 6 - H ILE 56 far 0 100 0 - 6.3-6.7 HB ILE 7 - H ILE 56 far 0 99 0 - 8.6-8.7 HD3 LYS 53 - H ILE 56 far 0 91 0 - 8.6-10.2 Violated in 0 structures by 0.00 A. Peak 6925 from nnoeabs.peaks (0.71, 9.19, 126.37 ppm; 3.76 A increased from 3.34 A): 3 out of 16 assignments used, quality = 1.00: * HG13 ILE 56 + H ILE 56 OK 100 100 100 100 3.4-3.7 1.8/6924=76, 2.1/2593=50...(15) QD1 ILE 56 + H ILE 56 OK 99 100 100 99 3.5-3.6 2.1/6924=70, 2593=55...(12) QG2 VAL 78 + H ILE 56 OK 37 100 40 94 4.0-4.3 4.3/9697=35, 3.2/9300=34...(13) QG1 VAL 5 - H ILE 56 far 0 98 0 - 4.7-5.3 QG1 VAL 78 - H ILE 56 far 0 75 0 - 4.7-5.5 QG1 VAL 58 - H ILE 56 far 0 100 0 - 5.7-6.0 QD1 LEU 64 - H ILE 56 far 0 82 0 - 5.8-6.3 HG3 ARG 81 - H ILE 56 far 0 85 0 - 6.2-8.2 QD1 ILE 8 - H ILE 56 far 0 100 0 - 6.3-6.8 QG2 VAL 58 - H ILE 56 far 0 59 0 - 6.7-7.4 QD2 LEU 6 - H ILE 56 far 0 81 0 - 6.8-7.1 QD1 LEU 42 - H ILE 56 far 0 84 0 - 7.0-7.6 HG13 ILE 93 - H ILE 56 far 0 79 0 - 8.4-9.3 QG2 ILE 93 - H ILE 56 far 0 65 0 - 8.7-9.2 QD1 ILE 52 - H ILE 56 far 0 92 0 - 8.9-10.3 QD2 LEU 14 - H ILE 56 far 0 100 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 6926 from nnoeabs.peaks (0.71, 9.19, 126.37 ppm; 3.73 A increased from 3.51 A): 3 out of 15 assignments used, quality = 1.00: HG13 ILE 56 + H ILE 56 OK 99 100 100 100 3.4-3.7 1.8/6924=75, 2.1/2593=49...(15) * QD1 ILE 56 + H ILE 56 OK 99 100 100 99 3.5-3.6 2.1/6924=70, 2593=54...(12) QG2 VAL 78 + H ILE 56 OK 36 97 40 93 4.0-4.3 4.3/9697=34, 3.2/9300=34...(13) QG1 VAL 5 - H ILE 56 far 0 93 0 - 4.7-5.3 QG1 VAL 78 - H ILE 56 far 0 61 0 - 4.7-5.5 QG1 VAL 58 - H ILE 56 far 0 98 0 - 5.7-6.0 QD1 LEU 64 - H ILE 56 far 0 70 0 - 5.8-6.3 HG3 ARG 81 - H ILE 56 far 0 73 0 - 6.2-8.2 QD1 ILE 8 - H ILE 56 far 0 100 0 - 6.3-6.8 QG2 VAL 58 - H ILE 56 far 0 73 0 - 6.7-7.4 QD2 LEU 6 - H ILE 56 far 0 91 0 - 6.8-7.1 QD1 LEU 42 - H ILE 56 far 0 93 0 - 7.0-7.6 HG13 ILE 93 - H ILE 56 far 0 65 0 - 8.4-9.3 QD1 ILE 52 - H ILE 56 far 0 98 0 - 8.9-10.3 QD2 LEU 14 - H ILE 56 far 0 100 0 - 10.0-10.5 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 4.3-4.4 4.5=100 H VAL 5 - H ILE 56 far 0 99 0 - 7.6-7.9 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 4.3-4.4 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...(13) HA THR 31 - H LEU 57 far 0 99 0 - 7.0-7.3 HA ARG 30 - H LEU 57 far 0 75 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 6931 from nnoeabs.peaks (1.76, 8.93, 126.55 ppm; 4.31 A increased from 4.06 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 56 + H LEU 57 OK 100 100 100 100 4.2-4.3 4.4=94, 2.1/6932=91...(9) HB VAL 78 - H LEU 57 far 0 95 0 - 7.4-8.0 HB3 GLU 63 - H LEU 57 far 0 96 0 - 8.3-8.7 HD2 ARG 81 - H LEU 57 far 0 61 0 - 8.7-10.3 HG3 ARG 19 - H LEU 57 far 0 100 0 - 9.7-10.9 HB3 LYS 82 - H LEU 57 far 0 100 0 - 9.8-9.9 Violated in 1 structures by 0.00 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 2.7-3.1 2576=82, 3.2/6930=56...(19) QD1 ILE 7 - H LEU 57 far 0 91 0 - 5.2-5.8 Violated in 0 structures by 0.00 A. Peak 6933 from nnoeabs.peaks (1.53, 8.93, 126.55 ppm; 4.26 A increased from 3.78 A): 1 out of 6 assignments used, quality = 0.77: HG LEU 57 + H LEU 57 OK 77 77 100 100 4.1-4.1 2.1/6940=88, 3.0/6938=74...(13) HB ILE 7 - H LEU 57 far 0 99 0 - 4.8-5.1 ! HG12 ILE 56 - H LEU 57 far 0 100 0 - 5.0-5.1 HG LEU 6 - H LEU 57 far 0 100 0 - 6.2-6.5 HG3 ARG 79 - H LEU 57 far 0 100 0 - 6.7-10.4 HG2 ARG 79 - H LEU 57 far 0 100 0 - 7.9-10.2 Violated in 0 structures by 0.00 A. Peak 6934 from nnoeabs.peaks (0.71, 8.93, 126.55 ppm; 4.04 A increased from 3.40 A): 3 out of 16 assignments used, quality = 1.00: QG1 VAL 58 + H LEU 57 OK 98 100 100 98 3.8-4.1 10706/3.0=53...(13) QG1 VAL 5 + H LEU 57 OK 91 98 100 93 3.7-4.2 178/9333=46, 173=43...(13) QD1 ILE 8 + H LEU 57 OK 28 100 30 94 4.1-4.8 2600=54, 2.1/10693=52...(6) ! HG13 ILE 56 - H LEU 57 far 0 100 0 - 4.6-4.8 QD1 ILE 56 - H LEU 57 far 0 100 0 - 5.3-5.4 QG2 VAL 58 - H LEU 57 far 0 59 0 - 5.4-5.7 QD2 LEU 6 - H LEU 57 far 0 81 0 - 5.8-6.0 QD1 LEU 64 - H LEU 57 far 0 82 0 - 6.1-6.5 QD2 LEU 14 - H LEU 57 far 0 100 0 - 6.4-6.9 HG3 ARG 81 - H LEU 57 far 0 85 0 - 6.6-8.4 HG13 ILE 93 - H LEU 57 far 0 79 0 - 6.9-7.7 QG2 VAL 78 - H LEU 57 far 0 100 0 - 7.2-7.4 QG1 VAL 78 - H LEU 57 far 0 75 0 - 7.8-8.4 QD1 LEU 14 - H LEU 57 far 0 63 0 - 7.8-8.2 QG2 ILE 93 - H LEU 57 far 0 65 0 - 8.2-8.6 QD1 LEU 42 - H LEU 57 far 0 84 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 6935 from nnoeabs.peaks (0.71, 8.93, 126.55 ppm; 4.15 A increased from 3.50 A): 3 out of 15 assignments used, quality = 1.00: QG1 VAL 58 + H LEU 57 OK 96 98 100 98 3.8-4.1 10706/3.0=54...(13) QG1 VAL 5 + H LEU 57 OK 87 93 100 93 3.7-4.2 4.1/9333=45, 173=42...(13) QD1 ILE 8 + H LEU 57 OK 67 100 70 95 4.1-4.8 2600=59, 2.1/10693=55...(6) HG13 ILE 56 - H LEU 57 far 0 100 0 - 4.6-4.8 ! QD1 ILE 56 - H LEU 57 far 0 100 0 - 5.3-5.4 QG2 VAL 58 - H LEU 57 far 0 73 0 - 5.4-5.7 QD2 LEU 6 - H LEU 57 far 0 91 0 - 5.8-6.0 QD1 LEU 64 - H LEU 57 far 0 70 0 - 6.1-6.5 QD2 LEU 14 - H LEU 57 far 0 100 0 - 6.4-6.9 HG3 ARG 81 - H LEU 57 far 0 73 0 - 6.6-8.4 HG13 ILE 93 - H LEU 57 far 0 65 0 - 6.9-7.7 QG2 VAL 78 - H LEU 57 far 0 97 0 - 7.2-7.4 QG1 VAL 78 - H LEU 57 far 0 61 0 - 7.8-8.4 QD1 LEU 14 - H LEU 57 far 0 77 0 - 7.8-8.2 QD1 LEU 42 - H LEU 57 far 0 93 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 6936 from nnoeabs.peaks (5.39, 8.93, 126.55 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 57 + H LEU 57 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6937 from nnoeabs.peaks (1.20, 8.93, 126.55 ppm; 3.78 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 57 + H LEU 57 OK 100 100 100 100 3.6-3.6 3.9=88, 1.8/6938=79...(13) HB2 LEU 6 + H LEU 57 OK 27 96 30 95 4.0-4.3 8235/6932=41...(11) QB ALA 18 - H LEU 57 far 0 73 0 - 6.2-6.6 HB2 LEU 29 - H LEU 57 far 0 65 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 6938 from nnoeabs.peaks (1.82, 8.93, 126.55 ppm; 3.57 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 57 + H LEU 57 OK 100 100 100 100 2.3-2.4 3.9=74, 3.1/6940=54...(19) HB VAL 5 - H LEU 57 far 0 63 0 - 6.6-7.2 HB2 GLU 88 - H LEU 57 far 0 96 0 - 9.6-10.2 HB ILE 93 - H LEU 57 far 0 91 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 6939 from nnoeabs.peaks (1.50, 8.93, 126.55 ppm; 4.21 A increased from 3.55 A): 1 out of 8 assignments used, quality = 1.00: * HG LEU 57 + H LEU 57 OK 100 100 100 100 4.1-4.1 2.1/6940=87, 2625=80...(13) HB ILE 7 - H LEU 57 far 0 91 0 - 4.8-5.1 HG12 ILE 56 - H LEU 57 far 0 77 0 - 5.0-5.1 HG LEU 6 - H LEU 57 far 0 87 0 - 6.2-6.5 HG3 ARG 79 - H LEU 57 far 0 70 0 - 6.7-10.4 HB3 LEU 64 - H LEU 57 far 0 99 0 - 7.9-8.4 HG2 ARG 79 - H LEU 57 far 0 71 0 - 7.9-10.2 HG LEU 64 - H LEU 57 far 0 91 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 6940 from nnoeabs.peaks (0.80, 8.93, 126.55 ppm; 3.47 A): 1 out of 14 assignments used, quality = 0.99: * QD2 LEU 57 + H LEU 57 OK 99 100 100 99 2.3-2.9 3.1/6938=50, 2.1/6939=49...(14) QD1 LEU 57 - H LEU 57 far 0 73 0 - 3.8-4.5 QD2 LEU 38 - H LEU 57 far 0 82 0 - 4.8-5.2 QG1 VAL 54 - H LEU 57 far 0 70 0 - 5.3-5.8 QG2 ILE 7 - H LEU 57 far 0 100 0 - 5.3-5.5 QD1 LEU 6 - H LEU 57 far 0 85 0 - 5.5-5.7 QG2 VAL 32 - H LEU 57 far 0 65 0 - 5.6-6.0 QG2 ILE 8 - H LEU 57 far 0 99 0 - 5.8-6.2 QD1 ILE 93 - H LEU 57 far 0 84 0 - 6.4-7.2 QD2 LEU 42 - H LEU 57 far 0 79 0 - 8.0-8.3 QG2 ILE 15 - H LEU 57 far 0 97 0 - 8.0-8.8 QD1 ILE 15 - H LEU 57 far 0 65 0 - 8.7-9.6 QD1 LEU 70 - H LEU 57 far 0 92 0 - 8.9-9.9 QD1 LEU 27 - H LEU 57 far 0 82 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 6941 from nnoeabs.peaks (0.83, 8.93, 126.55 ppm; 3.65 A): 1 out of 9 assignments used, quality = 0.73: QD2 LEU 57 + H LEU 57 OK 73 73 100 99 2.3-2.9 3.1/6938=55, 2.1/6939=54...(13) ! QD1 LEU 57 - H LEU 57 far 5 100 5 - 3.8-4.5 QD2 LEU 38 - H LEU 57 far 0 100 0 - 4.8-5.2 QG2 ILE 7 - H LEU 57 far 0 79 0 - 5.3-5.5 QG2 VAL 32 - H LEU 57 far 0 100 0 - 5.6-6.0 QD1 LEU 38 - H LEU 57 far 0 71 0 - 6.3-6.8 QG2 ILE 15 - H LEU 57 far 0 94 0 - 8.0-8.8 QD2 LEU 64 - H LEU 57 far 0 68 0 - 8.6-9.0 QD1 LEU 70 - H LEU 57 far 0 98 0 - 8.9-9.9 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 4.2-4.4 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 4.2-4.4 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 = 0.98: * HA LEU 57 + H VAL 58 OK 98 100 100 98 2.1-2.1 2608=77, 2642/2648=31...(15) 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 3.6-3.6 2.9/6945=82, 4.6=68...(12) HB2 LEU 6 - H VAL 58 far 0 96 0 - 7.8-8.1 QB ALA 18 - H VAL 58 far 0 73 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 6947 from nnoeabs.peaks (1.82, 8.54, 114.40 ppm; 4.69 A increased from 4.42 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 57 + H VAL 58 OK 100 100 100 100 4.4-4.5 4.6=100 HB2 GLU 88 - H VAL 58 far 0 96 0 - 8.0-8.6 HB3 LYS 66 - H VAL 58 far 0 63 0 - 9.4-9.8 HB2 LYS 68 - H VAL 58 far 0 97 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 6948 from nnoeabs.peaks (1.50, 8.54, 114.40 ppm; 4.74 A): 1 out of 7 assignments used, quality = 0.97: HB3 LEU 64 + H VAL 58 OK 97 99 100 98 4.4-4.8 9379/6953=62...(13) ! HG LEU 57 - H VAL 58 far 0 100 0 - 5.5-5.5 HG LEU 64 - H VAL 58 far 0 91 0 - 6.5-6.9 HG12 ILE 56 - H VAL 58 far 0 77 0 - 7.6-7.7 HB ILE 7 - H VAL 58 far 0 91 0 - 7.7-8.2 HG3 ARG 79 - H VAL 58 far 0 70 0 - 8.2-11.0 HG2 ARG 79 - H VAL 58 far 0 71 0 - 9.0-10.9 Violated in 1 structures by 0.00 A. Peak 6949 from nnoeabs.peaks (0.80, 8.54, 114.40 ppm; 3.67 A): 2 out of 12 assignments used, quality = 0.98: * QD2 LEU 57 + H VAL 58 OK 93 100 95 98 3.7-4.6 2.1/2648=65, 4.0/6945=51...(9) QD1 LEU 57 + H VAL 58 OK 72 73 100 97 3.3-3.7 2648=57, 4.0/6945=51...(9) QG2 ILE 8 - H VAL 58 far 0 99 0 - 5.3-6.0 QD2 LEU 38 - H VAL 58 far 0 82 0 - 6.7-7.1 QG2 ILE 7 - H VAL 58 far 0 100 0 - 7.4-7.7 QG2 VAL 32 - H VAL 58 far 0 65 0 - 8.0-8.5 QD1 ILE 93 - H VAL 58 far 0 84 0 - 8.3-9.2 QG1 VAL 54 - H VAL 58 far 0 70 0 - 8.3-8.8 QD1 LEU 6 - H VAL 58 far 0 85 0 - 8.4-8.6 QD1 LEU 70 - H VAL 58 far 0 92 0 - 9.5-10.2 QD1 ILE 15 - H VAL 58 far 0 65 0 - 9.5-10.6 QG2 ILE 15 - H VAL 58 far 0 97 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 6950 from nnoeabs.peaks (0.83, 8.54, 114.40 ppm; 3.87 A increased from 3.64 A): 2 out of 9 assignments used, quality = 1.00: * QD1 LEU 57 + H VAL 58 OK 100 100 100 100 3.3-3.7 2648=100, 2642/6945=72...(10) QD2 LEU 57 + H VAL 58 OK 69 73 95 99 3.7-4.6 2.1/2648=71, 4.0/6945=56...(8) QD2 LEU 64 - H VAL 58 far 0 68 0 - 5.7-6.1 QD2 LEU 38 - H VAL 58 far 0 100 0 - 6.7-7.1 QG2 ILE 7 - H VAL 58 far 0 79 0 - 7.4-7.7 QG2 VAL 32 - H VAL 58 far 0 100 0 - 8.0-8.5 QD1 LEU 38 - H VAL 58 far 0 71 0 - 8.1-8.7 QD1 LEU 70 - H VAL 58 far 0 98 0 - 9.5-10.2 QG2 ILE 15 - H VAL 58 far 0 94 0 - 9.9-10.6 Violated in 0 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 3.8-3.8 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 9 assignments used, quality = 0.98: * QG2 VAL 58 + H VAL 58 OK 98 100 100 98 2.1-2.2 2661=76, 2.1/2667=47...(15) QD1 ILE 8 - H VAL 58 far 0 70 0 - 4.7-5.2 QD2 LEU 14 - H VAL 58 far 0 71 0 - 6.2-6.7 QD1 ILE 56 - H VAL 58 far 0 73 0 - 6.6-6.7 QD1 LEU 14 - H VAL 58 far 0 100 0 - 6.8-7.2 HG13 ILE 56 - H VAL 58 far 0 59 0 - 7.4-7.5 QD1 LEU 29 - H VAL 58 far 0 90 0 - 8.9-9.5 QD2 LEU 6 - H VAL 58 far 0 99 0 - 8.9-9.2 QD2 LEU 29 - H VAL 58 far 0 71 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 6954 from nnoeabs.peaks (0.72, 8.54, 114.40 ppm; 3.26 A): 1 out of 14 assignments used, quality = 0.98: * QG1 VAL 58 + H VAL 58 OK 98 100 100 98 2.4-2.7 2667=66, 2.1/2661=61...(15) QD1 LEU 64 - H VAL 58 far 0 91 0 - 3.8-4.1 HG3 ARG 81 - H VAL 58 far 0 93 0 - 4.5-7.5 QD1 ILE 8 - H VAL 58 far 0 99 0 - 4.7-5.2 QD2 LEU 14 - H VAL 58 far 0 98 0 - 6.2-6.7 QD1 ILE 56 - H VAL 58 far 0 98 0 - 6.6-6.7 QG1 VAL 5 - H VAL 58 far 0 100 0 - 6.9-7.4 HG13 ILE 56 - H VAL 58 far 0 100 0 - 7.4-7.5 QG2 VAL 78 - H VAL 58 far 0 100 0 - 8.3-8.6 QD2 LEU 6 - H VAL 58 far 0 70 0 - 8.9-9.2 HG13 ILE 93 - H VAL 58 far 0 88 0 - 9.3-9.8 QD1 ILE 15 - H VAL 58 far 0 59 0 - 9.5-10.6 QG1 VAL 78 - H VAL 58 far 0 85 0 - 9.9-10.5 HG13 ILE 15 - H VAL 58 far 0 70 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 6955 from nnoeabs.peaks (8.80, 8.54, 114.40 ppm; 4.27 A): 2 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...(10) H ARG 81 + H VAL 58 OK 57 59 100 96 3.6-4.0 10926=49, 11122/6945=36...(16) H ILE 8 - H VAL 58 far 0 100 0 - 4.9-5.0 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 - 6.3-6.4 Violated in 0 structures by 0.00 A. Peak 6958 from nnoeabs.peaks (5.25, 8.80, 115.50 ppm; 3.22 A): 1 out of 1 assignment used, quality = 0.99: * HA VAL 58 + H SER 59 OK 99 100 100 99 2.6-2.6 3.6=73, 3.0/6959=48...(14) 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 2.1-2.2 2660=70, 2.1/6960=57...(15) 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 5 assignments used, quality = 1.00: * QG2 VAL 58 + H SER 59 OK 100 100 100 100 2.6-3.1 2.1/6959=75, 4.2=62...(17) QD1 ILE 8 - H SER 59 far 0 70 0 - 4.8-5.2 QD2 LEU 14 - H SER 59 far 0 71 0 - 5.5-6.0 QD1 LEU 14 - H SER 59 far 0 100 0 - 6.0-6.6 QD1 ILE 56 - H SER 59 far 0 73 0 - 8.8-9.1 Violated in 0 structures by 0.00 A. Peak 6961 from nnoeabs.peaks (0.72, 8.80, 115.50 ppm; 3.79 A increased from 3.57 A): 1 out of 9 assignments used, quality = 1.00: * QG1 VAL 58 + H SER 59 OK 100 100 100 100 3.6-3.7 2.1/6959=80, 4.2=71...(13) QD1 ILE 8 - H SER 59 far 0 99 0 - 4.8-5.2 QD2 LEU 14 - H SER 59 far 0 98 0 - 5.5-6.0 QD1 LEU 64 - H SER 59 far 0 91 0 - 6.2-6.5 QD1 ILE 15 - H SER 59 far 0 59 0 - 8.1-9.2 HG3 ARG 81 - H SER 59 far 0 93 0 - 8.1-11.7 QD1 ILE 56 - H SER 59 far 0 98 0 - 8.8-9.1 HG13 ILE 15 - H SER 59 far 0 70 0 - 9.0-9.8 QG1 VAL 5 - H SER 59 far 0 100 0 - 9.7-10.0 Violated in 0 structures by 0.00 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 2.6-3.7 4.0=88, 1.8/6964=76...(7) HA GLU 62 - H SER 59 far 0 63 0 - 8.6-8.9 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 2.5-3.4 4.0=86, 1.8/6963=74...(9) 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 1.8-2.0 6967=100, 9410/6959=41...(14) H LEU 64 - H SER 59 far 0 98 0 - 5.4-5.6 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 1.8-2.0 6965=89, 6959/9410=38...(14) H ILE 8 - H ASN 60 far 0 100 0 - 7.0-7.4 H ARG 81 - H ASN 60 far 0 59 0 - 8.1-8.5 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 3.2-3.4 3.6=100 Violated in 0 structures by 0.00 A. Peak 6969 from nnoeabs.peaks (4.16, 7.73, 117.52 ppm; 4.43 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 59 + H ASN 60 OK 100 100 100 100 3.3-4.4 4.6=90, 1.8/6970=74...(7) HA GLU 62 - H ASN 60 far 0 63 0 - 7.2-7.3 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 2 assignments used, quality = 1.00: * HA ASN 60 + H ASN 60 OK 100 100 100 100 2.9-2.9 3.0=100 HA VAL 83 - H ASN 60 far 0 96 0 - 7.4-7.7 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 5 assignments used, quality = 1.00: * HB2 ASN 60 + H ASN 60 OK 100 100 100 100 2.9-3.0 4.0=100 HE3 LYS 82 - H ASN 60 far 0 63 0 - 5.9-6.9 HB2 ASN 10 - H ASN 60 far 0 65 0 - 9.3-10.8 HE3 LYS 68 - H ASN 60 far 0 96 0 - 9.4-13.2 HE2 LYS 68 - H ASN 60 far 0 94 0 - 9.6-13.1 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 3.8-3.9 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 3.5-4.2 6978=100, 1.7/6975=88...(8) Violated in 0 structures by 0.00 A. Peak 6975 from nnoeabs.peaks (7.37, 7.73, 117.52 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 60 + H ASN 60 OK 100 100 100 100 4.1-4.6 6984=78, 1.7/6978=73...(7) Violated in 0 structures by 0.00 A. Peak 6976 from nnoeabs.peaks (8.58, 7.73, 117.52 ppm; 5.21 A): 2 out of 2 assignments used, quality = 1.00: * H ASP 61 + H ASN 60 OK 100 100 100 100 4.4-4.5 4.6=100 H VAL 58 + H ASN 60 OK 67 68 100 100 5.0-5.3 4.0/9420=84, 3.0/9422=82...(9) 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): 1 out of 2 assignments used, quality = 1.00: * H ASN 60 + HD21 ASN 60 OK 100 100 100 100 3.5-4.2 6974=99, 6975/1.7=88...(8) H LEU 64 - HD21 ASN 60 far 5 98 5 - 5.6-6.1 Violated in 0 structures by 0.00 A. Peak 6979 from nnoeabs.peaks (4.81, 6.87, 113.68 ppm; 4.80 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 60 + HD21 ASN 60 OK 100 100 100 100 4.5-4.6 4.5=100 HA THR 34 - HD21 ASN 60 far 0 75 0 - 8.1-9.2 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 5 assignments used, quality = 1.00: * HB2 ASN 60 + HD21 ASN 60 OK 100 100 100 100 2.1-2.2 3.5=100 HB2 ASN 10 - HD21 ASN 60 far 0 65 0 - 7.8-9.3 HE3 LYS 82 - HD21 ASN 60 far 0 63 0 - 9.2-10.2 HE3 LYS 66 - HD21 ASN 60 far 0 99 0 - 9.6-12.1 HE2 LYS 66 - HD21 ASN 60 far 0 100 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 6981 from nnoeabs.peaks (3.06, 6.87, 113.68 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 60 + HD21 ASN 60 OK 100 100 100 100 2.9-3.2 3.5=100 Violated in 0 structures by 0.00 A. Peak 6982 from nnoeabs.peaks (7.37, 6.87, 113.68 ppm; 2.49 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 60 + HD21 ASN 60 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 6983 from nnoeabs.peaks (7.37, 7.37, 113.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 60 + HD22 ASN 60 OK 100 100 - 100 Peak 6984 from nnoeabs.peaks (7.73, 7.37, 113.68 ppm; 5.39 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 60 + HD22 ASN 60 OK 100 100 100 100 4.1-4.6 6975=100, 6978/1.7=85...(7) H LEU 64 - HD22 ASN 60 far 0 98 0 - 7.1-7.4 Violated in 0 structures by 0.00 A. Peak 6985 from nnoeabs.peaks (4.81, 7.37, 113.68 ppm; 5.03 A increased from 4.74 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 60 + HD22 ASN 60 OK 100 100 100 100 4.8-4.9 4.5=100 HA THR 34 - HD22 ASN 60 far 0 75 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 6986 from nnoeabs.peaks (2.89, 7.37, 113.68 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 60 + HD22 ASN 60 OK 100 100 100 100 3.4-3.5 3.5=100 HB2 ASN 10 - HD22 ASN 60 far 0 65 0 - 6.2-7.7 HE3 LYS 82 - HD22 ASN 60 far 0 63 0 - 9.4-10.7 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 3.8-3.9 3.5=100 Violated in 0 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 4.4-4.5 4.6=100 H LEU 64 + H ASP 61 OK 96 98 100 98 4.8-4.9 9441/3.0=83...(9) Violated in 0 structures by 0.00 A. Peak 6991 from nnoeabs.peaks (4.81, 8.58, 119.43 ppm; 3.22 A): 1 out of 2 assignments used, quality = 0.94: * HA ASN 60 + H ASP 61 OK 94 100 100 94 2.4-2.4 3.6=74, 3.0/6993=42...(5) HA VAL 83 - H ASP 61 far 0 96 0 - 9.8-10.4 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 3.2-3.4 1.8/6993=82, 2701=77...(5) HE3 LYS 82 - H ASP 61 far 0 63 0 - 5.9-6.6 HE3 LYS 66 - H ASP 61 far 0 99 0 - 8.9-12.8 HE2 LYS 68 - H ASP 61 far 0 94 0 - 9.3-13.0 HE3 LYS 68 - H ASP 61 far 0 96 0 - 9.4-12.9 HE2 LYS 66 - H ASP 61 far 0 100 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 6993 from nnoeabs.peaks (3.06, 8.58, 119.43 ppm; 3.70 A): 1 out of 1 assignment used, quality = 0.98: * HB3 ASN 60 + H ASP 61 OK 98 100 100 98 2.5-2.6 2708=72, 1.8/6992=66...(4) Violated in 0 structures by 0.00 A. Peak 6996 from nnoeabs.peaks (4.37, 8.58, 119.43 ppm; 3.90 A): 1 out of 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 3.2-3.6 4.0=79, 7003/7001=48...(4) HG3 GLU 63 - H ASP 61 far 0 100 0 - 5.1-6.0 Violated in 0 structures by 0.00 A. Peak 6998 from nnoeabs.peaks (2.73, 8.58, 119.43 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 61 + H ASP 61 OK 100 100 100 100 2.1-2.8 4.0=100 HE2 LYS 82 - H ASP 61 far 0 100 0 - 4.9-6.5 HB2 ASP 65 - H ASP 61 far 0 94 0 - 6.5-6.9 Violated in 0 structures by 0.00 A. Peak 6999 from nnoeabs.peaks (8.40, 8.58, 119.43 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 62 + H ASP 61 OK 100 100 100 100 2.6-2.7 7001=100, 7003/6997=51...(10) H GLU 63 - H ASP 61 far 0 91 0 - 4.2-4.3 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 = 1.00: * H ASP 61 + H GLU 62 OK 100 100 100 100 2.6-2.7 6999=99, 6997/7003=50...(10) H VAL 58 - H GLU 62 far 0 68 0 - 9.5-9.7 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 3.6-3.6 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): 1 out of 2 assignments used, quality = 0.95: * HB2 ASP 61 + H GLU 62 OK 95 100 100 95 2.7-3.5 1.8/7004=63, 2718=57...(7) HG3 GLU 63 - H GLU 62 far 0 100 0 - 4.6-5.1 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 = 0.99: * HB3 ASP 61 + H GLU 62 OK 99 100 100 99 2.4-3.9 1.8/7003=84, 2723=75...(9) HB2 ASP 65 - H GLU 62 far 0 94 0 - 4.7-5.1 HE2 LYS 82 - H GLU 62 far 0 100 0 - 7.1-8.5 Violated in 0 structures by 0.00 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 2.8-2.8 3.0=100 HB2 SER 59 - H GLU 62 far 0 63 0 - 8.2-9.7 Violated in 0 structures by 0.00 A. Peak 7006 from nnoeabs.peaks (2.02, 8.40, 122.15 ppm; 3.52 A increased from 3.13 A): 1 out of 1 assignment used, quality = 0.99: * HB2 GLU 62 + H GLU 62 OK 99 100 100 99 2.8-3.5 1.8/7007=86, 4.0=67...(12) Violated in 0 structures by 0.00 A. Peak 7007 from nnoeabs.peaks (2.09, 8.40, 122.15 ppm; 2.98 A): 1 out of 3 assignments used, quality = 0.90: * HB3 GLU 62 + H GLU 62 OK 90 100 100 90 2.1-2.2 1.8/7006=52, 4.0=41...(13) HB2 LEU 64 - H GLU 62 far 0 87 0 - 4.9-5.1 HG2 GLU 69 - H GLU 62 far 0 61 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 7008 from nnoeabs.peaks (2.26, 8.40, 122.15 ppm; 4.32 A increased from 3.45 A): 2 out of 3 assignments used, quality = 1.00: HG3 GLU 62 + H GLU 62 OK 100 100 100 100 2.9-4.6 2.9/7007=86, 2.9/7006=77...(11) * HG2 GLU 62 + H GLU 62 OK 95 100 95 100 3.8-4.6 2.9/7007=86, 2.9/7006=77...(12) HG2 GLU 63 - H GLU 62 far 0 73 0 - 5.2-6.5 Violated in 0 structures by 0.00 A. Peak 7009 from nnoeabs.peaks (2.26, 8.40, 122.15 ppm; 4.32 A increased from 3.45 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 62 + H GLU 62 OK 100 100 100 100 2.9-4.6 2.9/7007=86, 2.9/7006=77...(11) HG2 GLU 62 + H GLU 62 OK 95 100 95 100 3.8-4.6 2.9/7007=86, 2.9/7006=77...(12) HG2 GLU 63 - H GLU 62 far 0 73 0 - 5.2-6.5 Violated in 0 structures by 0.00 A. Peak 7010 from nnoeabs.peaks (8.38, 8.40, 122.15 ppm; diagonal): 1 out of 1 assignment used, quality = 0.91: H GLU 62 + H GLU 62 OK 91 91 - 100 Reference assignment not found: H GLU 63 - H GLU 62 Peak 7011 from nnoeabs.peaks (7.72, 8.40, 122.15 ppm; 4.15 A): 1 out of 2 assignments used, quality = 0.99: * H LEU 64 + H GLU 62 OK 99 100 100 99 4.0-4.1 9470/3.6=58, 7024/4.5=50...(13) H ASN 60 - H GLU 62 far 0 98 0 - 5.5-5.6 Violated in 0 structures by 0.00 A. Peak 7012 from nnoeabs.peaks (8.38, 8.38, 119.08 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H GLU 63 + H GLU 63 OK 100 100 - 100 H TYR 4 + H TYR 4 OK 45 45 - 100 Peak 7013 from nnoeabs.peaks (8.40, 8.38, 119.08 ppm; diagonal): 1 out of 1 assignment used, quality = 0.91: H GLU 63 + H GLU 63 OK 91 91 - 100 Reference assignment not found: H GLU 62 - H GLU 63 Peak 7014 from nnoeabs.peaks (4.12, 8.38, 119.08 ppm; 4.23 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 62 + H GLU 63 OK 100 100 100 100 3.6-3.6 3.6=100 HB2 SER 59 - H GLU 63 far 0 63 0 - 6.9-8.3 HA MET 1 - H TYR 4 far 0 31 0 - 9.1-9.4 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 8 assignments used, quality = 0.96: * HB2 GLU 62 + H GLU 63 OK 96 100 100 96 2.3-3.1 1.8/7016=75, 4.6=52...(8) QE MET 1 - H TYR 4 far 0 28 0 - 6.3-7.3 HB3 GLU 48 - H TYR 4 far 0 36 0 - 7.6-9.6 HG12 ILE 93 - H TYR 4 far 0 47 0 - 8.4-9.2 HB2 GLU 99 - H TYR 4 far 0 40 0 - 8.7-11.8 HB3 GLU 99 - H TYR 4 far 0 47 0 - 9.3-12.5 HB2 GLU 35 - H GLU 63 far 0 99 0 - 9.6-11.2 HB3 MET 1 - H TYR 4 far 0 54 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 7016 from nnoeabs.peaks (2.09, 8.38, 119.08 ppm; 3.70 A): 1 out of 9 assignments used, quality = 0.94: * HB3 GLU 62 + H GLU 63 OK 94 100 100 94 2.7-3.5 1.8/7015=73, 4.6=51...(6) HB2 LEU 64 - H GLU 63 far 0 87 0 - 4.8-4.9 HB3 GLU 35 - H GLU 63 far 0 99 0 - 8.0-9.6 HG3 GLU 28 - H TYR 4 far 0 44 0 - 8.3-9.0 HG2 GLU 28 - H TYR 4 far 0 44 0 - 8.4-9.1 HG2 GLU 69 - H GLU 63 far 0 61 0 - 9.0-9.7 HB2 GLU 69 - H GLU 63 far 0 61 0 - 9.2-9.5 HB3 LEU 38 - H GLU 63 far 0 96 0 - 9.4-10.6 QE MET 21 - H TYR 4 far 0 56 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 7017 from nnoeabs.peaks (2.26, 8.38, 119.08 ppm; 3.62 A): 2 out of 5 assignments used, quality = 0.84: HG2 GLU 63 + H GLU 63 OK 73 73 100 100 2.6-3.9 1.8/7023=76, 3.0/2772=53...(13) HB2 TYR 4 + H TYR 4 OK 39 40 100 97 2.7-2.8 3.8=88, 2.5/6042=19...(9) ! HG2 GLU 62 - H GLU 63 far 0 100 0 - 4.1-5.0 HG3 GLU 62 - H GLU 63 far 0 100 0 - 4.7-5.0 HB2 GLU 48 - H TYR 4 far 0 32 0 - 8.1-10.0 Violated in 0 structures by 0.00 A. Peak 7018 from nnoeabs.peaks (2.26, 8.38, 119.08 ppm; 3.62 A): 2 out of 5 assignments used, quality = 0.84: HG2 GLU 63 + H GLU 63 OK 73 73 100 100 2.6-3.9 1.8/7023=76, 3.0/2772=53...(13) HB2 TYR 4 + H TYR 4 OK 39 40 100 97 2.7-2.8 3.8=88, 2.5/6042=19...(9) HG2 GLU 62 - H GLU 63 far 0 100 0 - 4.1-5.0 ! HG3 GLU 62 - H GLU 63 far 0 100 0 - 4.7-5.0 HB2 GLU 48 - H TYR 4 far 0 32 0 - 8.1-10.0 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 2.8-2.8 2.9=100 HA3 GLY 101 - H TYR 4 far 0 48 0 - 7.6-9.4 HB2 SER 97 - H TYR 4 far 0 31 0 - 7.8-8.4 HA GLU 35 - H GLU 63 far 0 82 0 - 8.6-10.1 HB2 SER 102 - H TYR 4 far 0 48 0 - 9.4-14.9 Violated in 0 structures by 0.00 A. Peak 7020 from nnoeabs.peaks (2.20, 8.38, 119.08 ppm; 3.77 A increased from 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=71...(14) HG2 MET 1 - H TYR 4 far 0 58 0 - 7.1-7.7 HG3 GLU 35 - H GLU 63 far 0 100 0 - 8.5-11.0 HG2 GLU 99 - H TYR 4 far 0 45 0 - 9.0-12.8 HG2 GLU 35 - H GLU 63 far 0 100 0 - 9.1-11.9 Violated in 0 structures by 0.00 A. Peak 7021 from nnoeabs.peaks (1.78, 8.38, 119.08 ppm; 3.89 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLU 63 + H GLU 63 OK 100 100 100 100 2.3-2.6 4.0=88, 1.8/2772=79...(16) HB2 GLU 28 - H TYR 4 far 0 31 0 - 6.3-7.0 HB2 LYS 66 - H GLU 63 far 0 98 0 - 6.7-7.0 HB VAL 78 - H TYR 4 far 0 58 0 - 7.2-8.0 HB3 LYS 82 - H GLU 63 far 0 97 0 - 8.7-9.2 HB ILE 56 - H GLU 63 far 0 96 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 7022 from nnoeabs.peaks (2.29, 8.38, 119.08 ppm; 3.55 A): 2 out of 7 assignments used, quality = 0.78: HB2 TYR 4 + H TYR 4 OK 56 58 100 96 2.7-2.8 3.8=83, 6048/4.6=28...(9) * HG2 GLU 63 + H GLU 63 OK 50 100 50 100 2.6-3.9 1.8/7023=74, 2786=71...(13) HG2 GLU 62 - H GLU 63 far 0 73 0 - 4.1-5.0 HG3 GLU 62 - H GLU 63 far 0 73 0 - 4.7-5.0 HB2 GLU 48 - H TYR 4 far 0 58 0 - 8.1-10.0 HG2 GLU 48 - H TYR 4 far 0 29 0 - 9.2-11.7 HB2 TYR 41 - H TYR 4 far 0 49 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 7023 from nnoeabs.peaks (2.52, 8.38, 119.08 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 63 + H GLU 63 OK 100 100 100 100 2.3-2.6 2793=91, 1.8/2786=59...(14) HB2 ASP 61 - H GLU 63 far 0 100 0 - 5.2-5.8 Violated in 0 structures by 0.00 A. Peak 7024 from nnoeabs.peaks (7.72, 8.38, 119.08 ppm; 3.36 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 64 + H GLU 63 OK 100 100 100 100 2.7-2.8 7029=96, 7031/2772=36...(15) H ASN 60 - H GLU 63 far 0 98 0 - 4.2-4.3 H VAL 78 - H TYR 4 far 0 30 0 - 9.3-9.9 H SER 49 - H TYR 4 far 0 57 0 - 9.5-11.5 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 4.3-4.5 7047/7024=96...(13) H GLU 69 - H GLU 63 far 0 94 0 - 9.1-9.3 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): 1 out of 3 assignments used, quality = 0.90: H GLU 63 + H LEU 64 OK 90 91 100 99 2.7-2.8 7024=87, 4.0/7031=36...(15) ! H GLU 62 - H LEU 64 far 0 100 0 - 4.0-4.1 H THR 80 - H LEU 64 far 0 99 0 - 9.8-10.1 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 4.0-4.1 10742=96, 3.6/7024=81...(8) HB2 SER 59 - H LEU 64 far 0 63 0 - 7.7-8.6 Violated in 0 structures by 0.00 A. Peak 7029 from nnoeabs.peaks (8.38, 7.72, 120.36 ppm; 3.40 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 63 + H LEU 64 OK 100 100 100 100 2.7-2.8 7024=100, 2772/7031=38...(15) H GLU 62 - H LEU 64 far 0 91 0 - 4.0-4.1 H THR 80 - H LEU 64 far 0 73 0 - 9.8-10.1 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 5 assignments used, quality = 1.00: * HA GLU 63 + H LEU 64 OK 100 100 100 100 3.5-3.5 3.6=100 HA GLU 35 + H GLU 37 OK 28 30 100 94 4.1-4.5 3.6/6565=61...(8) HA TYR 41 - H GLU 37 far 0 39 0 - 8.5-8.8 HA GLU 35 - H LEU 64 far 0 82 0 - 9.2-10.5 HA GLU 63 - H GLU 37 far 0 43 0 - 9.8-10.9 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 6 assignments used, quality = 0.99: * HB2 GLU 63 + H LEU 64 OK 99 100 100 99 3.6-3.9 1.8/7032=66, 4.6=57...(8) HG2 GLU 35 - H GLU 37 far 0 43 0 - 5.4-7.0 HG3 GLU 35 - H GLU 37 far 0 43 0 - 5.5-7.0 HG2 GLU 43 - H GLU 37 far 0 41 0 - 8.6-10.5 HG3 GLU 35 - H LEU 64 far 0 100 0 - 8.9-11.5 HG2 GLU 35 - H LEU 64 far 0 100 0 - 9.5-12.4 Violated in 1 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 2.8-2.9 1.8/7031=84, 4.6=72...(12) HB2 LYS 39 - H GLU 37 far 0 35 0 - 5.2-5.8 HB2 LYS 66 - H LEU 64 far 0 98 0 - 6.8-7.0 HB3 LYS 82 - H LEU 64 far 0 97 0 - 7.0-7.4 HB ILE 56 - H LEU 64 far 0 96 0 - 7.9-8.2 HB2 LYS 66 - H GLU 37 far 0 40 0 - 8.7-10.0 HB2 LEU 42 - H GLU 37 far 0 28 0 - 8.8-9.2 Violated in 0 structures by 0.00 A. Peak 7033 from nnoeabs.peaks (2.29, 7.72, 120.36 ppm; 4.67 A): 1 out of 7 assignments used, quality = 0.21: HG2 GLU 37 + H GLU 37 OK 21 21 100 100 2.3-3.7 5.0=84, 1.8/1608=77...(13) ! HG2 GLU 63 - H LEU 64 far 10 100 10 - 4.7-5.3 HG2 GLU 62 - H LEU 64 far 0 73 0 - 5.6-6.9 HG3 GLU 62 - H LEU 64 far 0 73 0 - 5.8-6.9 HG3 GLU 43 - H GLU 37 far 0 30 0 - 8.7-10.9 HB2 TYR 41 - H GLU 37 far 0 36 0 - 8.8-9.1 HD3 ARG 81 - H LEU 64 far 0 98 0 - 9.8-11.8 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 4.5-4.7 7023/7024=78...(8) HB3 ASP 36 + H GLU 37 OK 41 41 100 100 2.4-3.8 4.0=100 HB2 ASP 36 + H GLU 37 OK 41 41 100 100 2.5-3.9 4.0=100 HB2 ASP 61 - H LEU 64 far 0 100 0 - 5.2-5.3 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 2.9-2.9 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): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 64 + H LEU 64 OK 100 100 100 100 2.2-2.3 1.8/7038=76, 2810=75...(22) HG3 GLU 37 + H GLU 37 OK 38 42 90 99 2.0-4.0 1608=48, 1.8/1601=47...(16) HB3 GLU 37 - H GLU 37 poor 20 39 50 - 3.5-3.6 HB3 GLU 62 - H LEU 64 far 0 87 0 - 4.9-5.4 HB3 GLU 35 - H GLU 37 far 0 25 0 - 5.8-6.1 HG2 GLU 69 - H LEU 64 far 0 97 0 - 8.0-8.3 HB2 GLU 69 - H LEU 64 far 0 97 0 - 8.1-8.4 HB3 GLU 35 - H LEU 64 far 0 73 0 - 8.9-10.4 HB3 GLU 69 - H LEU 64 far 0 97 0 - 9.9-10.1 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 13 assignments used, quality = 1.00: * HB3 LEU 64 + H LEU 64 OK 100 100 100 100 2.8-2.9 2818=64, 1.8/2810=54...(21) HG LEU 64 - H LEU 64 far 0 99 0 - 4.3-4.4 HD2 LYS 82 - H LEU 64 far 0 75 0 - 4.4-5.6 HB2 LEU 38 - H GLU 37 far 0 23 0 - 4.7-5.3 HD2 LYS 40 - H GLU 37 far 0 30 0 - 4.8-6.8 HD3 LYS 40 - H GLU 37 far 0 31 0 - 5.2-7.4 HG2 LYS 66 - H LEU 64 far 0 100 0 - 5.3-6.1 HG3 LYS 66 - H LEU 64 far 0 100 0 - 6.3-6.9 HG LEU 38 - H GLU 37 far 0 26 0 - 6.9-7.2 HG3 LYS 33 - H GLU 37 far 0 39 0 - 7.2-7.7 HG LEU 38 - H LEU 64 far 0 75 0 - 8.0-8.8 HB2 LEU 38 - H LEU 64 far 0 68 0 - 9.6-10.7 HG3 LYS 66 - H GLU 37 far 0 42 0 - 9.6-11.0 Violated in 0 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 99 100 100 2.8-2.9 2818=63, 1.8/2810=54...(21) ! HG LEU 64 - H LEU 64 far 0 100 0 - 4.3-4.4 HD2 LYS 82 - H LEU 64 far 0 91 0 - 4.4-5.6 HB2 LEU 38 - H GLU 37 far 0 31 0 - 4.7-5.3 HD2 LYS 40 - H GLU 37 far 0 38 0 - 4.8-6.8 HD3 LYS 40 - H GLU 37 far 0 38 0 - 5.2-7.4 HG2 LYS 66 - H LEU 64 far 0 99 0 - 5.3-6.1 HG3 LYS 66 - H LEU 64 far 0 98 0 - 6.3-6.9 HG LEU 38 - H GLU 37 far 0 34 0 - 6.9-7.2 HG3 LYS 33 - H GLU 37 far 0 32 0 - 7.2-7.7 HG LEU 38 - H LEU 64 far 0 91 0 - 8.0-8.8 HB2 LEU 38 - H LEU 64 far 0 85 0 - 9.6-10.7 HG3 LYS 66 - H GLU 37 far 0 39 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 7039 from nnoeabs.peaks (0.86, 7.72, 120.36 ppm; 4.12 A): 1 out of 8 assignments used, quality = 1.00: * QD2 LEU 64 + H LEU 64 OK 100 100 100 100 3.9-4.1 2834=78, 3.1/7038=76...(16) QG2 VAL 32 - H GLU 37 far 0 26 0 - 4.8-5.1 QD1 LEU 38 - H GLU 37 far 0 43 0 - 6.3-6.5 HG13 ILE 8 - H GLU 37 far 0 31 0 - 7.2-10.1 HG13 ILE 8 - H LEU 64 far 0 85 0 - 7.6-8.9 QD1 LEU 38 - H LEU 64 far 0 100 0 - 8.2-8.9 QD1 LEU 57 - H LEU 64 far 0 68 0 - 8.7-8.9 QG2 VAL 32 - H LEU 64 far 0 75 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 7040 from nnoeabs.peaks (0.74, 7.72, 120.36 ppm; 3.84 A): 1 out of 13 assignments used, quality = 0.91: QG1 VAL 58 + H LEU 64 OK 91 91 100 100 3.4-3.6 9385/3.0=53...(16) ! QD1 LEU 64 - H LEU 64 far 0 100 0 - 4.3-4.4 QD1 ILE 8 - H LEU 64 far 0 73 0 - 5.3-5.7 QD1 ILE 8 - H GLU 37 far 0 25 0 - 6.6-7.0 QD1 LEU 6 - H GLU 37 far 0 28 0 - 7.3-7.7 QD1 ILE 56 - H LEU 64 far 0 70 0 - 7.4-7.7 QD1 ILE 56 - H GLU 37 far 0 24 0 - 8.9-9.5 QG2 VAL 78 - H LEU 64 far 0 92 0 - 9.2-9.6 QD2 LEU 42 - H GLU 37 far 0 31 0 - 9.2-9.5 QG1 VAL 58 - H GLU 37 far 0 34 0 - 9.3-9.9 HG3 ARG 81 - H LEU 64 far 0 100 0 - 9.4-11.7 HG13 ILE 56 - H LEU 64 far 0 82 0 - 9.8-10.1 QD2 LEU 14 - H LEU 64 far 0 71 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 7041 from nnoeabs.peaks (7.92, 7.72, 120.36 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 65 + H LEU 64 OK 100 100 100 100 2.5-2.6 7047=100, 7049/2810=50...(19) H GLU 69 - H LEU 64 far 0 94 0 - 7.5-7.6 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 3 assignments used, quality = 1.00: * H LYS 66 + H LEU 64 OK 100 100 100 100 4.0-4.2 7062=100, 7064/7047=79...(9) H TYR 41 - H GLU 37 far 0 34 0 - 5.9-6.2 HE ARG 30 - H GLU 37 far 0 39 0 - 9.3-13.7 Violated in 0 structures by 0.00 A. Peak 7043 from nnoeabs.peaks (7.92, 7.92, 118.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 65 + H ASP 65 OK 100 100 - 100 Peak 7044 from nnoeabs.peaks (4.12, 7.92, 118.10 ppm; 3.79 A): 1 out of 1 assignment used, quality = 0.99: * HA GLU 62 + H ASP 65 OK 99 100 100 99 3.2-3.4 2731=60, 7060/7064=53...(9) Violated in 0 structures by 0.00 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 4.3-4.5 7024/7047=78...(13) H GLU 62 + H ASP 65 OK 82 91 90 100 4.6-4.8 3.0/7044=75...(13) H THR 80 - H ASP 65 far 0 73 0 - 9.4-9.8 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 4.6-4.9 3.6/7047=86...(10) HA GLU 35 - H ASP 65 far 0 82 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 7047 from nnoeabs.peaks (7.72, 7.92, 118.10 ppm; 3.27 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 64 + H ASP 65 OK 100 100 100 100 2.5-2.6 7041=80, 2810/7049=43...(19) H ASN 60 - H ASP 65 far 0 98 0 - 6.6-6.9 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 = 1.00: * HB2 LEU 64 + H ASP 65 OK 100 100 100 100 2.5-2.6 2817=60, 1.8/2825=44...(25) HB3 GLU 62 - H ASP 65 far 0 87 0 - 5.6-5.7 HG2 GLU 69 - H ASP 65 far 0 97 0 - 5.8-6.0 HB2 GLU 69 - H ASP 65 far 0 97 0 - 6.3-6.5 HB3 GLU 69 - H ASP 65 far 0 97 0 - 8.0-8.1 HB3 GLU 35 - H ASP 65 far 0 73 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 7050 from nnoeabs.peaks (1.49, 7.92, 118.10 ppm; 3.65 A increased from 3.24 A): 2 out of 6 assignments used, quality = 1.00: HG LEU 64 + H ASP 65 OK 99 99 100 100 3.4-3.6 3.0/7049=65, 2.1/7052=63...(18) * HB3 LEU 64 + H ASP 65 OK 80 100 80 100 3.9-4.0 1.8/7049=86, 2825=71...(23) HG2 LYS 66 - H ASP 65 far 0 100 0 - 4.3-5.0 HD2 LYS 82 - H ASP 65 far 0 75 0 - 5.6-6.7 HG3 LYS 66 - H ASP 65 far 0 100 0 - 5.9-6.4 HG LEU 38 - H ASP 65 far 0 75 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 7051 from nnoeabs.peaks (1.48, 7.92, 118.10 ppm; 3.65 A increased from 3.24 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 64 + H ASP 65 OK 100 100 100 100 3.4-3.6 3.0/7049=65, 2.1/7052=63...(18) HB3 LEU 64 + H ASP 65 OK 79 99 80 100 3.9-4.0 1.8/7049=86, 2825=70...(23) HG2 LYS 66 - H ASP 65 far 0 99 0 - 4.3-5.0 HD2 LYS 82 - H ASP 65 far 0 91 0 - 5.6-6.7 HG3 LYS 66 - H ASP 65 far 0 98 0 - 5.9-6.4 HG LEU 38 - H ASP 65 far 0 91 0 - 8.5-9.2 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 3.3-3.8 2841=87, 3.1/7049=68...(18) QD1 LEU 38 - H ASP 65 far 0 100 0 - 8.4-9.0 HG13 ILE 8 - H ASP 65 far 0 85 0 - 9.3-10.6 QD1 LEU 57 - H ASP 65 far 0 68 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 7053 from nnoeabs.peaks (0.74, 7.92, 118.10 ppm; 4.63 A increased from 4.12 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 64 + H ASP 65 OK 100 100 100 100 4.5-4.6 2.1/7052=90, 3.1/7049=87...(26) QG1 VAL 58 - H ASP 65 far 14 91 15 - 4.9-5.1 QD1 ILE 8 - H ASP 65 far 0 73 0 - 6.7-7.0 QD1 ILE 56 - H ASP 65 far 0 70 0 - 7.4-7.7 QG2 VAL 78 - H ASP 65 far 0 92 0 - 8.7-9.2 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 2.1-2.2 2859=62, 1.8/2865=56...(13) HB3 ASP 61 - H ASP 65 far 0 94 0 - 5.6-6.1 HE2 LYS 82 - H ASP 65 far 0 87 0 - 8.0-9.0 Violated in 0 structures by 0.00 A. Peak 7056 from nnoeabs.peaks (2.64, 7.92, 118.10 ppm; 3.36 A increased from 3.16 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 65 + H ASP 65 OK 100 100 100 100 3.0-3.3 2865=100, 1.8/7055=82...(9) Violated in 0 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 2.7-2.9 7064=100, 7066/7055=49...(13) 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 3.9-4.0 7077/7064=84...(15) 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; 3.88 A increased from 3.45 A): 1 out of 1 assignment used, quality = 0.95: * HA GLU 62 + H LYS 66 OK 95 100 100 95 3.7-3.7 7044/7064=57...(6) Violated in 0 structures by 0.00 A. Peak 7061 from nnoeabs.peaks (3.91, 7.80, 119.34 ppm; 4.08 A increased from 3.84 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 63 + H LYS 66 OK 100 100 100 100 3.8-4.1 2769=100, 2771/7070=67...(10) HA GLU 35 - H LYS 66 far 0 82 0 - 7.5-8.7 Violated in 0 structures by 0.00 A. Peak 7062 from nnoeabs.peaks (7.72, 7.80, 119.34 ppm; 4.32 A increased from 4.07 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 64 + H LYS 66 OK 100 100 100 100 4.0-4.2 7042=95, 7047/7064=77...(9) H ASN 60 - H LYS 66 far 0 98 0 - 8.1-8.3 Violated in 0 structures by 0.00 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 4.6-4.8 3.6/7064=89, 3.0/7062=81...(8) 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 2.7-2.9 7057=94, 7055/7066=47...(13) H GLU 69 - H LYS 66 far 0 94 0 - 4.5-4.7 H GLN 72 - H LYS 66 far 0 98 0 - 8.9-9.1 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 2 assignments used, quality = 0.99: * HB2 ASP 65 + H LYS 66 OK 99 100 100 99 3.0-3.4 2863=68, 1.8/7067=68...(11) HB3 ASP 61 - H LYS 66 far 0 94 0 - 7.4-8.5 Violated in 0 structures by 0.00 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 2.4-2.7 2869=86, 1.8/7066=75...(12) Violated in 0 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 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 7069 from nnoeabs.peaks (1.77, 7.80, 119.34 ppm; 3.74 A increased from 3.15 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 66 + H LYS 66 OK 100 100 100 100 3.6-3.6 2885=100, 1.8/7070=91...(17) HB3 GLU 63 - H LYS 66 far 0 98 0 - 5.9-6.1 HB ILE 56 - H LYS 66 far 0 100 0 - 8.6-9.0 Violated in 0 structures by 0.00 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 2.3-2.5 2897=71, 1.8/2885=48...(20) HB3 LYS 68 - H LYS 66 far 0 99 0 - 6.3-6.7 HB2 LYS 68 - H LYS 66 far 0 88 0 - 7.3-7.5 HB ILE 8 - H LYS 66 far 0 70 0 - 9.0-9.3 Violated in 0 structures by 0.00 A. Peak 7071 from nnoeabs.peaks (1.49, 7.80, 119.34 ppm; 3.16 A): 1 out of 8 assignments used, quality = 0.99: * HG2 LYS 66 + H LYS 66 OK 99 100 100 99 2.1-2.5 3.0/7070=52, 3.0/2885=41...(25) HG3 LYS 66 - H LYS 66 far 0 100 0 - 3.6-3.8 HG LEU 64 - H LYS 66 far 0 99 0 - 5.4-5.6 HB3 LEU 64 - H LYS 66 far 0 100 0 - 6.0-6.2 HG LEU 38 - H LYS 66 far 0 73 0 - 7.0-7.7 HB2 LEU 38 - H LYS 66 far 0 65 0 - 8.1-9.0 HD2 LYS 82 - H LYS 66 far 0 73 0 - 8.2-9.2 HG2 LYS 73 - H LYS 66 far 0 100 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 7072 from nnoeabs.peaks (1.49, 7.80, 119.34 ppm; 3.16 A): 1 out of 8 assignments used, quality = 0.99: HG2 LYS 66 + H LYS 66 OK 99 100 100 99 2.1-2.5 3.0/7070=52, 3.0/2885=41...(25) ! HG3 LYS 66 - H LYS 66 far 0 100 0 - 3.6-3.8 HG LEU 64 - H LYS 66 far 0 98 0 - 5.4-5.6 HB3 LEU 64 - H LYS 66 far 0 100 0 - 6.0-6.2 HG LEU 38 - H LYS 66 far 0 70 0 - 7.0-7.7 HB2 LEU 38 - H LYS 66 far 0 61 0 - 8.1-9.0 HD2 LYS 82 - H LYS 66 far 0 70 0 - 8.2-9.2 HG2 LYS 73 - H LYS 66 far 0 100 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 7073 from nnoeabs.peaks (1.60, 7.80, 119.34 ppm; 4.82 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 66 + H LYS 66 OK 100 100 100 100 4.2-4.8 1.8/7074=96, 2.9/7072=93...(32) HD3 LYS 82 - H LYS 66 far 0 68 0 - 9.1-10.1 Violated in 2 structures by 0.00 A. Peak 7074 from nnoeabs.peaks (1.70, 7.80, 119.34 ppm; 3.88 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 66 + H LYS 66 OK 100 100 100 100 3.3-3.9 2.9/7072=72, 2942/3.0=65...(29) HG LEU 70 - H LYS 66 far 0 100 0 - 5.9-6.5 HB3 LEU 70 - H LYS 66 far 0 97 0 - 8.2-8.7 Violated in 3 structures by 0.00 A. Peak 7075 from nnoeabs.peaks (2.90, 7.80, 119.34 ppm; 5.28 A increased from 4.69 A): 3 out of 5 assignments used, quality = 0.99: * HE2 LYS 66 + H LYS 66 OK 95 100 95 100 4.2-5.7 3.6/7072=91, 2.9/7074=91...(26) HE3 LYS 66 + H LYS 66 OK 85 100 85 100 2.7-5.8 3.6/7072=91, 2.9/7074=91...(25) HE3 LYS 68 + H LYS 66 OK 21 98 30 70 5.3-8.3 7.2/7101=34...(8) HE2 LYS 68 - H LYS 66 far 0 96 0 - 5.6-8.2 HB2 ASN 60 - H LYS 66 far 0 100 0 - 7.2-7.4 Violated in 0 structures by 0.00 A. Peak 7076 from nnoeabs.peaks (2.90, 7.80, 119.34 ppm; 5.21 A increased from 4.63 A): 2 out of 5 assignments used, quality = 0.96: HE2 LYS 66 + H LYS 66 OK 90 100 90 100 4.2-5.7 3.6/7072=90, 2.9/7074=90...(26) * HE3 LYS 66 + H LYS 66 OK 65 100 65 100 2.7-5.8 3.6/7072=90, 2.9/7074=90...(25) HE3 LYS 68 - H LYS 66 far 15 100 15 - 5.3-8.3 HE2 LYS 68 - H LYS 66 far 0 99 0 - 5.6-8.2 HB2 ASN 60 - H LYS 66 far 0 99 0 - 7.2-7.4 Violated in 0 structures by 0.00 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 2.6-2.7 7084=78, 7087/7070=40...(21) Violated in 0 structures by 0.00 A. Peak 7078 from nnoeabs.peaks (8.19, 7.80, 119.34 ppm; 4.67 A increased from 4.40 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 68 + H LYS 66 OK 100 100 100 100 4.4-4.4 7101=100, 7103/7077=88...(13) 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 3.9-4.2 10750=95, 2769/7077=73...(11) HA GLU 35 - H ALA 67 far 0 82 0 - 6.5-7.6 HA LEU 38 - H ALA 67 far 0 57 0 - 8.4-9.2 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 3.4-3.7 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 3.9-4.0 7058=84, 7064/7077=78...(14) H GLU 69 + H ALA 67 OK 94 94 100 100 3.7-3.9 7120=76, 7122/7103=71...(18) H GLN 72 - H ALA 67 far 0 98 0 - 7.5-7.7 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 1 assignment used, quality = 1.00: * HA ASP 65 + H ALA 67 OK 100 100 100 100 4.2-4.4 10772=100, 3.6/7077=96...(16) 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 2.6-2.7 7077=100, 7070/7087=47...(21) H LYS 73 - H ALA 67 far 0 59 0 - 9.1-9.3 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 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 7086 from nnoeabs.peaks (1.77, 8.48, 121.56 ppm; 3.88 A increased from 3.65 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 66 + H ALA 67 OK 100 100 100 100 3.6-3.8 2895=100, 1.8/7087=80...(17) HB3 GLU 63 - H ALA 67 far 0 98 0 - 5.8-6.1 HB ILE 56 - H ALA 67 far 0 100 0 - 6.1-6.5 HB2 LYS 39 - H ALA 67 far 0 73 0 - 8.9-11.0 HB VAL 78 - H ALA 67 far 0 97 0 - 9.1-9.9 Violated in 0 structures by 0.00 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 2.7-2.9 2907=85, 1.8/2895=68...(16) HB3 LYS 68 - H ALA 67 far 0 99 0 - 5.1-5.3 HB2 LYS 68 - H ALA 67 far 0 88 0 - 6.2-6.4 HB ILE 8 - H ALA 67 far 0 70 0 - 7.5-8.0 HB3 LYS 39 - H ALA 67 far 0 100 0 - 8.8-11.4 HG LEU 42 - H ALA 67 far 0 68 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 7088 from nnoeabs.peaks (1.49, 8.48, 121.56 ppm; 4.83 A increased from 4.29 A): 3 out of 9 assignments used, quality = 1.00: * HG2 LYS 66 + H ALA 67 OK 100 100 100 100 4.2-4.6 7071/7077=91...(16) HG3 LYS 66 + H ALA 67 OK 70 100 70 100 5.0-5.2 3.0/7087=85, 3.0/2895=83...(11) HG LEU 64 + H ALA 67 OK 48 99 50 98 4.9-5.3 2827/7081=60...(12) HG LEU 38 - H ALA 67 poor 18 73 25 - 4.8-5.5 HB3 LEU 64 - H ALA 67 far 0 100 0 - 5.6-5.8 HB2 LEU 38 - H ALA 67 far 0 65 0 - 6.4-7.2 HG12 ILE 56 - H ALA 67 far 0 57 0 - 7.8-8.2 HD2 LYS 82 - H ALA 67 far 0 73 0 - 8.4-9.7 HG2 LYS 73 - H ALA 67 far 0 100 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 7089 from nnoeabs.peaks (1.49, 8.48, 121.56 ppm; 4.83 A increased from 4.29 A): 3 out of 9 assignments used, quality = 1.00: HG2 LYS 66 + H ALA 67 OK 100 100 100 100 4.2-4.6 7072/7077=91...(16) * HG3 LYS 66 + H ALA 67 OK 70 100 70 100 5.0-5.2 3.0/7087=85, 3.0/2895=83...(11) HG LEU 64 + H ALA 67 OK 48 98 50 98 4.9-5.3 2827/7081=60...(12) HG LEU 38 - H ALA 67 poor 17 70 25 - 4.8-5.5 HB3 LEU 64 - H ALA 67 far 0 100 0 - 5.6-5.8 HB2 LEU 38 - H ALA 67 far 0 61 0 - 6.4-7.2 HG12 ILE 56 - H ALA 67 far 0 61 0 - 7.8-8.2 HD2 LYS 82 - H ALA 67 far 0 70 0 - 8.4-9.7 HG2 LYS 73 - H ALA 67 far 0 100 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 7090 from nnoeabs.peaks (1.60, 8.48, 121.56 ppm; 6.50 A increased from 5.83 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 66 + H ALA 67 OK 100 100 100 100 5.6-6.3 3.6/7087=99, 3.6/2895=98...(17) HD3 LYS 82 - H ALA 67 far 0 68 0 - 9.5-10.5 HG3 LYS 73 - H ALA 67 far 0 100 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 7091 from nnoeabs.peaks (1.70, 8.48, 121.56 ppm; 5.41 A increased from 4.56 A): 2 out of 3 assignments used, quality = 1.00: * HD3 LYS 66 + H ALA 67 OK 100 100 100 100 5.0-5.3 7074/7077=91...(15) HG LEU 70 + H ALA 67 OK 90 100 90 100 5.3-6.0 2.1/9519=90, 9539/3.0=78...(14) HB3 LEU 70 - H ALA 67 far 0 97 0 - 6.8-7.3 Violated in 0 structures by 0.00 A. Peak 7092 from nnoeabs.peaks (2.90, 8.48, 121.56 ppm; 6.50 A): 4 out of 7 assignments used, quality = 0.96: * HE2 LYS 66 + H ALA 67 OK 70 100 70 100 5.3-7.5 4.7/7087=91, 4.7/2895=89...(14) HE3 LYS 68 + H ALA 67 OK 64 98 70 94 5.1-8.2 7.2/7103=62...(11) HE3 LYS 66 + H ALA 67 OK 45 100 45 100 4.9-7.5 4.7/7087=91, 4.7/2895=89...(14) HE2 LYS 68 + H ALA 67 OK 31 96 35 93 6.1-7.7 7.2/7103=62...(9) HB2 ASN 60 - H ALA 67 far 0 100 0 - 7.8-8.1 HE3 LYS 39 - H ALA 67 far 0 94 0 - 9.4-12.2 HE2 LYS 39 - H ALA 67 far 0 87 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 7093 from nnoeabs.peaks (2.90, 8.48, 121.56 ppm; 6.50 A increased from 5.95 A): 4 out of 7 assignments used, quality = 0.96: HE2 LYS 66 + H ALA 67 OK 70 100 70 100 5.3-7.5 4.7/7087=91, 4.7/2895=89...(14) HE3 LYS 68 + H ALA 67 OK 66 100 70 94 5.1-8.2 7.2/7103=62...(11) * HE3 LYS 66 + H ALA 67 OK 45 100 45 100 4.9-7.5 4.7/7087=91, 4.7/2895=89...(14) HE2 LYS 68 + H ALA 67 OK 32 99 35 93 6.1-7.7 7.2/7103=62...(9) HB2 ASN 60 - H ALA 67 far 0 99 0 - 7.8-8.1 HE3 LYS 39 - H ALA 67 far 0 87 0 - 9.4-12.2 HE2 LYS 39 - H ALA 67 far 0 77 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 7094 from nnoeabs.peaks (3.85, 8.48, 121.56 ppm; 3.60 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 67 + H ALA 67 OK 100 100 100 100 2.8-2.8 3.0=100 HA GLU 35 - H ALA 67 far 0 71 0 - 6.5-7.6 HA LEU 38 - H ALA 67 far 0 92 0 - 8.4-9.2 HA ALA 71 - H ALA 67 far 0 99 0 - 8.5-8.9 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 2.1-2.2 2.9=100 HB2 LEU 70 - H ALA 67 far 0 73 0 - 5.0-5.7 HG3 LYS 68 - H ALA 67 far 0 98 0 - 5.3-5.5 HG12 ILE 8 - H ALA 67 far 0 84 0 - 7.8-8.2 HB2 LYS 82 - H ALA 67 far 0 100 0 - 8.7-9.3 HG2 LYS 39 - H ALA 67 far 0 99 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 7096 from nnoeabs.peaks (8.19, 8.48, 121.56 ppm; 3.42 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 68 + H ALA 67 OK 100 100 100 100 2.6-2.8 7103=100, 2985/2.9=54...(18) H ASP 36 - H ALA 67 far 0 100 0 - 10.0-11.1 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 3.7-3.9 7120=83, 7115/7103=78...(18) H ASP 65 + H ALA 67 OK 94 94 100 100 3.9-4.0 7058=77, 7057/7077=70...(15) H GLN 72 - H ALA 67 far 0 100 0 - 7.5-7.7 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; 4.03 A increased from 3.79 A): 1 out of 1 assignment used, quality = 0.99: * HA LEU 64 + H LYS 68 OK 99 100 100 99 3.8-4.3 2981/2985=60, 10249=54...(10) Violated in 3 structures by 0.01 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 3.6-3.8 2855=68, 7118/7115=49...(20) 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 4.4-4.4 7078=90, 7077/7103=84...(13) H LYS 73 - H LYS 68 far 0 59 0 - 7.7-8.0 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 4.6-4.8 10774=100, 3.6/7103=87...(10) 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 = 0.99: * H ALA 67 + H LYS 68 OK 99 100 100 99 2.6-2.8 7096=80, 2.9/2985=47...(18) H ARG 79 - H LYS 68 far 0 93 0 - 8.6-9.2 Violated in 0 structures by 0.00 A. Peak 7104 from nnoeabs.peaks (3.85, 8.19, 116.17 ppm; 3.60 A increased from 3.39 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 67 + H LYS 68 OK 100 100 100 100 3.6-3.6 3.6=100 HA ALA 71 - H LYS 68 far 0 99 0 - 7.4-7.7 HA GLU 35 - H LYS 68 far 0 71 0 - 8.7-9.5 HA LEU 38 - H LYS 68 far 0 92 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 7105 from nnoeabs.peaks (1.34, 8.19, 116.17 ppm; 3.06 A): 2 out of 5 assignments used, quality = 0.99: * QB ALA 67 + H LYS 68 OK 98 100 100 98 2.4-2.5 2985=73, 2.9/7103=47...(16) HG3 LYS 68 + H LYS 68 OK 59 98 60 100 3.2-3.4 1.8/7111=64, 2.9/7107=52...(19) HB2 LEU 70 - H LYS 68 far 0 73 0 - 5.3-5.7 HB2 LYS 82 - H LYS 68 far 0 100 0 - 8.6-9.2 HG12 ILE 8 - H LYS 68 far 0 84 0 - 9.0-9.6 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): 1 out of 4 assignments used, quality = 0.70: HB3 LYS 68 + H LYS 68 OK 70 71 100 98 2.5-2.7 1.8/2998=45, 2.9/7109=43...(22) ! HB2 LYS 68 - H LYS 68 far 0 100 0 - 3.6-3.6 HB3 LYS 66 - H LYS 68 far 0 88 0 - 5.3-5.4 HB3 LYS 39 - H LYS 68 far 0 87 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 7108 from nnoeabs.peaks (1.87, 8.19, 116.17 ppm; 2.93 A): 1 out of 7 assignments used, quality = 0.99: * HB3 LYS 68 + H LYS 68 OK 99 100 100 99 2.5-2.7 3010=56, 1.8/2998=45...(22) HB2 LYS 68 - H LYS 68 far 0 71 0 - 3.6-3.6 HB3 LYS 66 - H LYS 68 far 0 99 0 - 5.3-5.4 HB ILE 8 - H LYS 68 far 0 87 0 - 8.9-9.5 HG LEU 42 - H LYS 68 far 0 85 0 - 9.0-9.5 HB VAL 54 - H LYS 68 far 0 97 0 - 9.3-9.9 HB3 LYS 39 - H LYS 68 far 0 99 0 - 9.7-12.3 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 8 assignments used, quality = 1.00: * HG2 LYS 68 + H LYS 68 OK 100 100 100 100 1.9-2.3 2.9/7107=57, 3021=52...(21) HD3 LYS 68 - H LYS 68 far 0 99 0 - 3.6-4.9 HD2 LYS 68 - H LYS 68 far 0 99 0 - 3.6-4.9 HB3 ARG 79 - H LYS 68 far 0 98 0 - 9.1-10.3 HB ILE 76 - H LYS 68 far 0 100 0 - 9.2-9.6 HB3 LEU 6 - H LYS 68 far 0 100 0 - 9.6-10.1 HD2 LYS 73 - H LYS 68 far 0 85 0 - 9.7-11.3 HD3 LYS 73 - H LYS 68 far 0 88 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 7110 from nnoeabs.peaks (1.35, 8.19, 116.17 ppm; 3.04 A): 2 out of 5 assignments used, quality = 0.98: QB ALA 67 + H LYS 68 OK 96 98 100 98 2.4-2.5 2985=69, 2.9/7103=46...(15) * HG3 LYS 68 + H LYS 68 OK 60 100 60 100 3.2-3.4 1.8/7111=63, 2.9/7107=51...(19) HB2 LEU 70 - H LYS 68 far 0 92 0 - 5.3-5.7 HB2 LYS 82 - H LYS 68 far 0 100 0 - 8.6-9.2 HG12 ILE 8 - H LYS 68 far 0 97 0 - 9.0-9.6 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 8 assignments used, quality = 0.99: HG2 LYS 68 + H LYS 68 OK 99 99 100 100 1.9-2.3 2.9/7107=57, 3021=51...(21) HD3 LYS 68 - H LYS 68 far 0 100 0 - 3.6-4.9 ! HD2 LYS 68 - H LYS 68 far 0 100 0 - 3.6-4.9 HB3 ARG 79 - H LYS 68 far 0 100 0 - 9.1-10.3 HB ILE 76 - H LYS 68 far 0 99 0 - 9.2-9.6 HB3 LEU 6 - H LYS 68 far 0 100 0 - 9.6-10.1 HD2 LYS 73 - H LYS 68 far 0 96 0 - 9.7-11.3 HD3 LYS 73 - H LYS 68 far 0 98 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 7112 from nnoeabs.peaks (1.65, 8.19, 116.17 ppm; 3.20 A): 1 out of 8 assignments used, quality = 0.99: HG2 LYS 68 + H LYS 68 OK 99 99 100 100 1.9-2.3 2.9/7107=57, 3021=51...(21) ! HD3 LYS 68 - H LYS 68 far 0 100 0 - 3.6-4.9 HD2 LYS 68 - H LYS 68 far 0 100 0 - 3.6-4.9 HB3 ARG 79 - H LYS 68 far 0 100 0 - 9.1-10.3 HB ILE 76 - H LYS 68 far 0 100 0 - 9.2-9.6 HB3 LEU 6 - H LYS 68 far 0 100 0 - 9.6-10.1 HD2 LYS 73 - H LYS 68 far 0 96 0 - 9.7-11.3 HD3 LYS 73 - H LYS 68 far 0 97 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 7113 from nnoeabs.peaks (2.91, 8.19, 116.17 ppm; 5.31 A): 2 out of 6 assignments used, quality = 0.99: HE3 LYS 68 + H LYS 68 OK 95 100 95 100 3.3-6.0 3.6/7109=92, 3.6/3032=79...(22) * HE2 LYS 68 + H LYS 68 OK 85 100 85 100 4.4-5.9 3.6/7109=92, 3.6/3032=79...(20) HE3 LYS 66 - H LYS 68 far 0 99 0 - 6.0-9.2 HE2 LYS 66 - H LYS 68 far 0 96 0 - 6.9-9.0 HE3 LYS 73 - H LYS 68 far 0 65 0 - 8.9-12.4 HB2 ASN 60 - H LYS 68 far 0 94 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 7114 from nnoeabs.peaks (2.91, 8.19, 116.17 ppm; 5.31 A): 2 out of 6 assignments used, quality = 0.99: * HE3 LYS 68 + H LYS 68 OK 95 100 95 100 3.3-6.0 3.6/7109=92, 3.6/3032=79...(22) HE2 LYS 68 + H LYS 68 OK 85 100 85 100 4.4-5.9 3.6/7109=92, 3.6/3032=79...(20) HE3 LYS 66 - H LYS 68 far 0 100 0 - 6.0-9.2 HE2 LYS 66 - H LYS 68 far 0 98 0 - 6.9-9.0 HE3 LYS 73 - H LYS 68 far 0 61 0 - 8.9-12.4 HB2 ASN 60 - H LYS 68 far 0 96 0 - 9.8-10.1 Violated in 0 structures by 0.00 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, 7129/7112=35...(22) H ASP 65 - H LYS 68 far 0 94 0 - 4.8-4.9 H GLN 72 - H LYS 68 far 0 100 0 - 5.8-6.0 Violated in 0 structures by 0.00 A. Peak 7116 from nnoeabs.peaks (7.96, 8.19, 116.17 ppm; 4.77 A increased from 4.49 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 70 + H LYS 68 OK 100 100 100 100 4.2-4.5 7141=100, 7137/7115=93...(12) 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 = 0.99: * HA ASP 65 + H GLU 69 OK 99 100 100 99 3.8-4.1 7100/7115=70...(14) Violated in 0 structures by 0.00 A. Peak 7119 from nnoeabs.peaks (4.08, 7.90, 119.49 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 66 + H GLU 69 OK 100 100 100 100 3.4-3.6 2881=100, 2882/3095=53...(14) 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 1 assignment used, quality = 1.00: * H ALA 67 + H GLU 69 OK 100 100 100 100 3.7-3.9 7103/7115=84...(19) Violated in 0 structures by 0.00 A. Peak 7121 from nnoeabs.peaks (3.85, 7.90, 119.49 ppm; 4.52 A increased from 4.02 A): 1 out of 3 assignments used, quality = 0.99: * HA ALA 67 + H GLU 69 OK 99 100 100 99 4.2-4.6 3.6/7115=79...(8) HA ALA 71 - H GLU 69 far 0 99 0 - 6.7-7.0 HA GLU 35 - H GLU 69 far 0 71 0 - 8.8-9.8 Violated in 2 structures by 0.00 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, 7111/7128=35...(22) 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 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 7124 from nnoeabs.peaks (1.84, 7.90, 119.49 ppm; 4.01 A increased from 3.21 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 68 + H GLU 69 OK 100 100 100 100 3.8-4.0 3008=97, 1.8/3020=74...(19) HB3 LYS 68 + H GLU 69 OK 71 71 100 100 3.9-4.1 7107/7115=77...(22) HB3 LYS 66 - H GLU 69 far 0 88 0 - 5.4-5.7 HB3 LYS 39 - H GLU 69 far 0 87 0 - 8.9-11.8 Violated in 0 structures by 0.00 A. Peak 7125 from nnoeabs.peaks (1.87, 7.90, 119.49 ppm; 4.03 A increased from 3.22 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 68 + H GLU 69 OK 100 100 100 100 3.9-4.1 3020=97, 7108/7115=77...(22) HB2 LYS 68 + H GLU 69 OK 71 71 100 100 3.8-4.0 1.8/3020=75, 4.6=65...(19) HB3 LYS 66 - H GLU 69 far 0 99 0 - 5.4-5.7 HB3 LYS 39 - H GLU 69 far 0 99 0 - 8.9-11.8 HG LEU 42 - H GLU 69 far 0 85 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 7126 from nnoeabs.peaks (1.64, 7.90, 119.49 ppm; 3.87 A): 1 out of 7 assignments used, quality = 1.00: * HG2 LYS 68 + H GLU 69 OK 100 100 100 100 2.3-2.9 1.8/7127=74...(20) HD3 LYS 68 - H GLU 69 far 0 99 0 - 4.4-5.1 HD2 LYS 68 - H GLU 69 far 0 99 0 - 4.4-4.9 HD2 LYS 73 - H GLU 69 far 0 85 0 - 7.3-9.5 HD3 LYS 73 - H GLU 69 far 0 88 0 - 7.4-9.9 HB ILE 76 - H GLU 69 far 0 100 0 - 9.0-9.5 HD2 LYS 39 - H GLU 69 far 0 98 0 - 9.1-12.2 Violated in 0 structures by 0.00 A. Peak 7127 from nnoeabs.peaks (1.35, 7.90, 119.49 ppm; 3.90 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 68 + H GLU 69 OK 100 100 100 100 2.4-2.7 1.8/7126=76, 2.9/3008=57...(19) QB ALA 67 - H GLU 69 far 0 98 0 - 4.3-4.4 HB2 LEU 70 - H GLU 69 far 0 92 0 - 4.5-5.0 HG2 LYS 39 - H GLU 69 far 0 100 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 7128 from nnoeabs.peaks (1.65, 7.90, 119.49 ppm; 3.87 A): 1 out of 7 assignments used, quality = 0.99: HG2 LYS 68 + H GLU 69 OK 99 99 100 100 2.3-2.9 1.8/7127=74...(20) HD3 LYS 68 - H GLU 69 far 0 100 0 - 4.4-5.1 ! HD2 LYS 68 - H GLU 69 far 0 100 0 - 4.4-4.9 HD2 LYS 73 - H GLU 69 far 0 96 0 - 7.3-9.5 HD3 LYS 73 - H GLU 69 far 0 98 0 - 7.4-9.9 HB ILE 76 - H GLU 69 far 0 99 0 - 9.0-9.5 HD2 LYS 39 - H GLU 69 far 0 100 0 - 9.1-12.2 Violated in 0 structures by 0.00 A. Peak 7129 from nnoeabs.peaks (1.65, 7.90, 119.49 ppm; 3.87 A): 1 out of 7 assignments used, quality = 0.99: HG2 LYS 68 + H GLU 69 OK 99 99 100 100 2.3-2.9 1.8/7127=74...(20) ! HD3 LYS 68 - H GLU 69 far 0 100 0 - 4.4-5.1 HD2 LYS 68 - H GLU 69 far 0 100 0 - 4.4-4.9 HD2 LYS 73 - H GLU 69 far 0 96 0 - 7.3-9.5 HD3 LYS 73 - H GLU 69 far 0 97 0 - 7.4-9.9 HB ILE 76 - H GLU 69 far 0 100 0 - 9.0-9.5 HD2 LYS 39 - H GLU 69 far 0 100 0 - 9.1-12.2 Violated in 0 structures by 0.00 A. Peak 7130 from nnoeabs.peaks (2.91, 7.90, 119.49 ppm; 5.90 A): 4 out of 7 assignments used, quality = 1.00: * HE2 LYS 68 + H GLU 69 OK 100 100 100 100 4.7-6.0 3.6/7126=93, 3.6/7127=92...(16) HE3 LYS 68 + H GLU 69 OK 100 100 100 100 4.0-6.1 3.6/7126=93, 3.6/7127=92...(18) HE2 LYS 66 + H GLU 69 OK 37 96 40 95 5.6-7.7 6.1/2881=62...(11) HE3 LYS 66 + H GLU 69 OK 28 99 30 94 5.0-8.3 6.1/2881=62...(10) HE3 LYS 73 - H GLU 69 far 0 65 0 - 6.8-9.9 HE2 LYS 39 - H GLU 69 far 0 59 0 - 9.2-11.8 HE3 LYS 39 - H GLU 69 far 0 71 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 7131 from nnoeabs.peaks (2.91, 7.90, 119.49 ppm; 5.90 A): 4 out of 7 assignments used, quality = 1.00: * HE3 LYS 68 + H GLU 69 OK 100 100 100 100 4.0-6.1 3.6/7126=93, 3.6/7127=92...(18) HE2 LYS 68 + H GLU 69 OK 100 100 100 100 4.7-6.0 3.6/7126=93, 3.6/7127=92...(16) HE2 LYS 66 + H GLU 69 OK 37 98 40 95 5.6-7.7 6.1/2881=62...(11) HE3 LYS 66 + H GLU 69 OK 28 100 30 94 5.0-8.3 6.1/2881=62...(10) HE3 LYS 73 - H GLU 69 far 0 61 0 - 6.8-9.9 HE2 LYS 39 - H GLU 69 far 0 63 0 - 9.2-11.8 HE3 LYS 39 - H GLU 69 far 0 75 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 7132 from nnoeabs.peaks (4.00, 7.90, 119.49 ppm; 3.15 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 69 + H GLU 69 OK 100 100 100 100 2.8-2.9 3.0=100 HA LEU 70 - H GLU 69 far 0 85 0 - 5.2-5.4 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 5 assignments used, quality = 0.97: * HB2 GLU 69 + H GLU 69 OK 95 100 100 95 2.2-2.3 3095=68, 3.0/3110=30...(16) HG2 GLU 69 + H GLU 69 OK 28 100 30 93 2.8-3.4 3110=44, 3.0/3103=36...(15) HB3 GLU 69 - H GLU 69 far 0 100 0 - 3.5-3.6 HB2 GLN 72 - H GLU 69 far 0 63 0 - 6.1-6.6 HB2 LEU 64 - H GLU 69 far 0 97 0 - 7.4-7.7 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 5 assignments used, quality = 0.97: HB2 GLU 69 + H GLU 69 OK 95 100 100 95 2.2-2.3 3095=68, 3.0/3110=30...(16) HG2 GLU 69 + H GLU 69 OK 28 100 30 93 2.8-3.4 3110=44, 3.0/3103=36...(15) ! HB3 GLU 69 - H GLU 69 far 0 100 0 - 3.5-3.6 HB2 GLN 72 - H GLU 69 far 0 63 0 - 6.1-6.6 HB2 LEU 64 - H GLU 69 far 0 97 0 - 7.4-7.7 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 5 assignments used, quality = 0.97: HB2 GLU 69 + H GLU 69 OK 95 100 100 95 2.2-2.3 3095=68, 3.0/3110=30...(16) * HG2 GLU 69 + H GLU 69 OK 28 100 30 93 2.8-3.4 3110=44, 3.0/3103=36...(15) HB3 GLU 69 - H GLU 69 far 0 100 0 - 3.5-3.6 HB2 GLN 72 - H GLU 69 far 0 63 0 - 6.1-6.6 HB2 LEU 64 - H GLU 69 far 0 97 0 - 7.4-7.7 Violated in 0 structures by 0.00 A. Peak 7136 from nnoeabs.peaks (2.34, 7.90, 119.49 ppm; 4.00 A increased from 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 69 + H GLU 69 OK 100 100 100 100 2.8-3.8 3117=100, 1.8/3110=89...(13) Violated in 0 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 2.6-2.9 7143=91, 4.6/3103=24...(15) 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 = 0.99: * HA LYS 66 + H LEU 70 OK 99 100 100 99 3.3-3.7 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 3.8-4.2 2978=93, 7121/7137=55...(10) HA ALA 71 - H LEU 70 far 0 99 0 - 5.3-5.5 HA GLU 35 - H LEU 70 far 0 71 0 - 7.2-8.1 HA LEU 38 - H LEU 70 far 0 92 0 - 8.6-9.4 Violated in 1 structures by 0.00 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 4.2-4.5 7116=100, 7115/7137=93...(12) H ASP 36 - H LEU 70 far 0 100 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 7142 from nnoeabs.peaks (3.81, 7.96, 119.43 ppm; 5.00 A increased from 4.44 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 68 + H LEU 70 OK 100 100 100 100 4.5-4.9 3.6/7137=90, 2.9/7116=71...(6) Violated in 0 structures by 0.00 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 2.6-2.9 7137=100, 3095/4.6=26...(15) H GLN 72 - H LEU 70 far 0 100 0 - 3.9-4.2 H ASP 65 - H LEU 70 far 0 94 0 - 7.6-7.9 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 2.8-2.8 3.0=100 HA GLU 75 - H LEU 70 far 0 100 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 7145 from nnoeabs.peaks (2.13, 7.96, 119.43 ppm; 3.34 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 69 + H LEU 70 OK 99 100 100 99 2.4-2.7 3103/7137=59, 3109=50...(14) HB3 GLU 69 + H LEU 70 OK 96 100 100 96 2.9-3.3 3109=49, 4.0/7137=41...(12) HG2 GLU 69 - H LEU 70 far 0 100 0 - 4.6-4.7 HB2 GLN 72 - H LEU 70 far 0 63 0 - 6.2-6.7 HB2 LEU 64 - H LEU 70 far 0 97 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 7146 from nnoeabs.peaks (2.13, 7.96, 119.43 ppm; 3.34 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLU 69 + H LEU 70 OK 99 100 100 99 2.4-2.7 3103/7137=59, 3109=50...(14) * HB3 GLU 69 + H LEU 70 OK 96 100 100 96 2.9-3.3 3109=49, 4.0/7137=41...(12) HG2 GLU 69 - H LEU 70 far 0 100 0 - 4.6-4.7 HB2 GLN 72 - H LEU 70 far 0 63 0 - 6.2-6.7 HB2 LEU 64 - H LEU 70 far 0 97 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 7147 from nnoeabs.peaks (2.13, 7.96, 119.43 ppm; 3.34 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLU 69 + H LEU 70 OK 99 100 100 99 2.4-2.7 3103/7137=59, 3109=50...(14) HB3 GLU 69 + H LEU 70 OK 96 100 100 96 2.9-3.3 3109=49, 4.0/7137=41...(12) ! HG2 GLU 69 - H LEU 70 far 0 100 0 - 4.6-4.7 HB2 GLN 72 - H LEU 70 far 0 63 0 - 6.2-6.7 HB2 LEU 64 - H LEU 70 far 0 97 0 - 9.5-9.9 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 4.6-5.0 3117/7137=91...(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 2.8-2.8 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 - 9.8-10.2 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 2.3-2.6 3133=100, 1.8/3142=69...(16) QB ALA 67 - H LEU 70 far 0 73 0 - 4.8-5.1 HG3 LYS 68 - H LEU 70 far 0 92 0 - 4.9-5.3 HG2 LYS 39 - H LEU 70 far 0 87 0 - 6.8-8.7 Violated in 0 structures by 0.00 A. Peak 7151 from nnoeabs.peaks (1.72, 7.96, 119.43 ppm; 3.15 A): 1 out of 3 assignments used, quality = 0.93: HG LEU 70 + H LEU 70 OK 93 95 100 99 2.1-2.7 3150=51, 3.0/3133=44...(14) ! HB3 LEU 70 - H LEU 70 far 0 100 0 - 3.6-3.6 HD3 LYS 66 - H LEU 70 far 0 97 0 - 4.6-5.4 Violated in 0 structures by 0.00 A. Peak 7152 from nnoeabs.peaks (1.70, 7.96, 119.43 ppm; 3.15 A): 1 out of 5 assignments used, quality = 0.99: * HG LEU 70 + H LEU 70 OK 99 100 100 99 2.1-2.7 3150=55, 3.0/3133=44...(14) HB3 LEU 70 - H LEU 70 far 0 95 0 - 3.6-3.6 HD3 LYS 66 - H LEU 70 far 0 100 0 - 4.6-5.4 HD2 LYS 73 - H LEU 70 far 0 75 0 - 5.7-7.2 HD3 LYS 73 - H LEU 70 far 0 71 0 - 5.9-7.8 Violated in 0 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 3.1-3.4 2.1/7151=84, 3.1/3133=61...(15) QD2 LEU 70 + H LEU 70 OK 99 99 100 100 3.6-3.9 2.1/7152=84, 3166=72...(9) QD1 ILE 76 - H LEU 70 far 0 96 0 - 6.7-7.7 QD2 LEU 38 - H LEU 70 far 0 100 0 - 6.8-7.4 QG2 VAL 32 - H LEU 70 far 0 96 0 - 8.9-9.6 QG2 ILE 8 - H LEU 70 far 0 79 0 - 9.4-10.0 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 3.6-3.9 2.1/7152=84, 3166=72...(9) QD1 LEU 70 + H LEU 70 OK 99 99 100 100 3.1-3.4 2.1/7151=84, 3.1/3133=61...(15) QD1 ILE 76 - H LEU 70 far 0 100 0 - 6.7-7.7 QD2 LEU 38 - H LEU 70 far 0 96 0 - 6.8-7.4 QD1 LEU 6 - H LEU 70 far 0 63 0 - 8.1-8.7 QG2 VAL 32 - H LEU 70 far 0 87 0 - 8.9-9.6 QG2 ILE 8 - H LEU 70 far 0 91 0 - 9.4-10.0 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 2.7-3.0 7157=100, 7159/3133=57...(13) 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 = 0.98: * H LEU 70 + H ALA 71 OK 98 100 100 98 2.7-3.0 7155=71, 3133/7159=45...(12) H LEU 42 - H PHE 45 far 0 71 0 - 4.7-5.0 H LEU 42 - H ALA 71 far 0 100 0 - 7.8-8.3 Violated in 0 structures by 0.00 A. Peak 7158 from nnoeabs.peaks (4.02, 8.26, 119.60 ppm; 3.98 A): 1 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 far 0 85 0 - 4.5-5.0 HB2 SER 49 - H PHE 45 far 0 36 0 - 7.8-9.3 HA GLU 75 - H ALA 71 far 0 93 0 - 8.0-8.4 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 8 assignments used, quality = 0.97: * HB2 LEU 70 + H ALA 71 OK 97 100 100 97 2.2-2.6 1.8/7161=53, 3140=46...(13) QB ALA 67 - H ALA 71 far 0 73 0 - 4.8-5.1 HG3 LYS 68 - H ALA 71 far 0 92 0 - 5.7-6.3 HG2 LYS 39 - H ALA 71 far 0 87 0 - 5.9-7.5 HG3 LYS 40 - H PHE 45 far 0 68 0 - 7.1-7.9 HB3 ARG 30 - H PHE 45 far 0 71 0 - 8.3-8.9 HG2 LYS 39 - H PHE 45 far 0 55 0 - 8.3-9.6 HB3 LEU 2 - H PHE 45 far 0 39 0 - 8.9-9.9 Violated in 0 structures by 0.00 A. Peak 7160 from nnoeabs.peaks (1.72, 8.26, 119.60 ppm; 3.43 A): 1 out of 8 assignments used, quality = 1.00: * HB3 LEU 70 + H ALA 71 OK 100 100 100 100 3.1-3.5 1.8/7159=84, 3149=78...(11) HG LEU 70 - H ALA 71 far 0 95 0 - 4.3-4.6 HD3 LYS 47 - H PHE 45 far 0 42 0 - 5.2-6.5 HD2 LYS 47 - H PHE 45 far 0 41 0 - 5.6-7.3 HD3 LYS 66 - H ALA 71 far 0 97 0 - 7.5-8.3 HB3 LYS 40 - H PHE 45 far 0 45 0 - 8.4-9.1 HB2 GLU 28 - H PHE 45 far 0 51 0 - 8.7-9.2 HB2 LEU 2 - H PHE 45 far 0 65 0 - 8.7-9.5 Violated in 2 structures by 0.00 A. Peak 7161 from nnoeabs.peaks (1.70, 8.26, 119.60 ppm; 3.43 A): 1 out of 10 assignments used, quality = 0.95: HB3 LEU 70 + H ALA 71 OK 95 95 100 100 3.1-3.5 1.8/7159=84, 3149=72...(11) ! HG LEU 70 - H ALA 71 far 0 100 0 - 4.3-4.6 HD3 LYS 47 - H PHE 45 far 0 63 0 - 5.2-6.5 HD2 LYS 47 - H PHE 45 far 0 62 0 - 5.6-7.3 HD2 LYS 73 - H ALA 71 far 0 75 0 - 6.7-8.1 HB ILE 52 - H PHE 45 far 0 50 0 - 7.2-7.7 HD3 LYS 73 - H ALA 71 far 0 71 0 - 7.4-8.2 HD3 LYS 66 - H ALA 71 far 0 100 0 - 7.5-8.3 HB3 LYS 40 - H PHE 45 far 0 65 0 - 8.4-9.1 HB2 LEU 2 - H PHE 45 far 0 71 0 - 8.7-9.5 Violated in 2 structures by 0.00 A. Peak 7162 from nnoeabs.peaks (0.81, 8.26, 119.60 ppm; 4.31 A increased from 3.83 A): 1 out of 12 assignments used, quality = 1.00: * QD1 LEU 70 + H ALA 71 OK 100 100 100 100 3.8-4.3 3.1/7159=83, 3.1/7160=75...(12) QD1 ILE 76 - H PHE 45 far 10 65 15 - 4.4-5.2 QD1 ILE 76 - H ALA 71 far 5 96 5 - 4.5-5.5 QD2 LEU 70 - H ALA 71 far 0 99 0 - 4.6-4.8 QG2 ILE 52 - H PHE 45 far 0 38 0 - 5.3-5.7 QD2 LEU 38 - H ALA 71 far 0 100 0 - 6.2-6.7 QD2 LEU 2 - H PHE 45 far 0 70 0 - 7.4-9.9 QG2 VAL 32 - H ALA 71 far 0 96 0 - 8.3-8.8 QD2 LEU 38 - H PHE 45 far 0 70 0 - 8.3-8.8 QG2 VAL 32 - H PHE 45 far 0 64 0 - 8.4-8.7 QG2 ILE 52 - H ALA 71 far 0 63 0 - 9.6-10.7 QG2 ILE 8 - H ALA 71 far 0 79 0 - 9.9-10.3 Violated in 1 structures by 0.00 A. Peak 7163 from nnoeabs.peaks (0.81, 8.26, 119.60 ppm; 4.31 A increased from 3.83 A): 1 out of 14 assignments used, quality = 0.99: QD1 LEU 70 + H ALA 71 OK 99 99 100 100 3.8-4.3 3.1/7159=83, 3.1/7160=75...(11) QD1 ILE 76 - H PHE 45 far 10 70 15 - 4.4-5.2 QD1 ILE 76 - H ALA 71 far 5 100 5 - 4.5-5.5 ! QD2 LEU 70 - H ALA 71 far 0 100 0 - 4.6-4.8 QG2 ILE 52 - H PHE 45 far 0 49 0 - 5.3-5.7 QD1 LEU 6 - H PHE 45 far 0 38 0 - 5.6-6.1 QD2 LEU 38 - H ALA 71 far 0 96 0 - 6.2-6.7 QD1 LEU 6 - H ALA 71 far 0 63 0 - 6.6-7.1 QD2 LEU 2 - H PHE 45 far 0 71 0 - 7.4-9.9 QG2 VAL 32 - H ALA 71 far 0 87 0 - 8.3-8.8 QD2 LEU 38 - H PHE 45 far 0 65 0 - 8.3-8.8 QG2 VAL 32 - H PHE 45 far 0 55 0 - 8.4-8.7 QG2 ILE 52 - H ALA 71 far 0 79 0 - 9.6-10.7 QG2 ILE 8 - H ALA 71 far 0 91 0 - 9.9-10.3 Violated in 1 structures by 0.00 A. Peak 7164 from nnoeabs.peaks (3.85, 8.26, 119.60 ppm; 3.21 A): 1 out of 9 assignments used, quality = 1.00: * HA ALA 71 + H ALA 71 OK 100 100 100 100 2.8-2.8 3.0=100 HA ALA 67 - H ALA 71 far 0 99 0 - 4.0-4.4 HA GLU 43 - H PHE 45 far 0 38 0 - 4.1-4.8 HA LYS 40 - H PHE 45 far 0 61 0 - 6.8-7.3 HB3 SER 49 - H PHE 45 far 0 68 0 - 7.5-8.6 HA LEU 38 - H ALA 71 far 0 81 0 - 7.8-8.5 HA ALA 71 - H PHE 45 far 0 71 0 - 8.6-9.1 HA LEU 38 - H PHE 45 far 0 50 0 - 8.7-9.0 HA GLU 43 - H ALA 71 far 0 63 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 7165 from nnoeabs.peaks (1.41, 8.26, 119.60 ppm; 2.78 A): 1 out of 7 assignments used, quality = 0.95: * QB ALA 71 + H ALA 71 OK 95 100 100 95 2.0-2.2 2.9=86, 7170/7166=37...(10) HG3 LYS 39 - H ALA 71 far 0 75 0 - 5.9-9.0 HG13 ILE 76 - H PHE 45 far 0 53 0 - 6.7-7.4 HG13 ILE 76 - H ALA 71 far 0 84 0 - 7.4-8.0 QB ALA 71 - H PHE 45 far 0 71 0 - 7.6-8.3 HB3 ARG 30 - H PHE 45 far 0 34 0 - 8.3-8.9 HG3 LYS 39 - H PHE 45 far 0 46 0 - 8.4-10.3 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 2.5-2.8 7168=98, 7170/7165=53...(14) H GLU 69 - H ALA 71 far 0 100 0 - 4.0-4.4 H ASP 65 - H ALA 71 far 0 98 0 - 9.2-9.5 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 2.5-2.8 7166=100, 7165/7170=53...(14) 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 2 assignments used, quality = 1.00: * HA ALA 71 + H GLN 72 OK 100 100 100 100 3.5-3.5 3.6=100 HA ALA 67 - H GLN 72 far 0 99 0 - 6.3-6.6 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 2.5-2.9 3181=75, 7165/7166=52...(15) HG13 ILE 76 - H GLN 72 far 0 84 0 - 7.2-7.6 HG3 LYS 39 - H GLN 72 far 0 75 0 - 7.5-10.9 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 - 5.2-5.3 Violated in 0 structures by 0.00 A. Peak 7172 from nnoeabs.peaks (2.16, 7.91, 115.96 ppm; 3.66 A increased from 3.09 A): 1 out of 10 assignments used, quality = 1.00: * HB2 GLN 72 + H GLN 72 OK 100 100 100 100 3.4-3.5 3191=99, 1.8/7173=89...(12) HB3 GLU 69 - H GLN 72 far 0 63 0 - 5.0-5.5 HB2 GLU 69 - H GLN 72 far 0 63 0 - 5.2-5.6 HG2 GLU 69 - H GLN 72 far 0 63 0 - 6.1-7.0 HG2 GLU 75 - H GLN 72 far 0 99 0 - 7.4-9.6 HG3 GLU 75 - H GLN 72 far 0 99 0 - 7.7-9.4 HB3 GLU 75 - H GLN 72 far 0 84 0 - 8.3-8.5 HB2 GLU 75 - H GLN 72 far 0 81 0 - 8.3-8.8 HG3 GLU 35 - H GLN 72 far 0 71 0 - 9.1-10.6 HG2 GLU 35 - H GLN 72 far 0 71 0 - 9.5-10.9 Violated in 0 structures by 0.00 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 2.1-2.2 3200=79, 1.8/7172=49...(12) HG3 GLU 35 - H GLN 72 far 0 59 0 - 9.1-10.6 HG2 GLU 35 - H GLN 72 far 0 59 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 7174 from nnoeabs.peaks (2.42, 7.91, 115.96 ppm; 4.22 A increased from 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 72 + H GLN 72 OK 100 100 100 100 3.6-4.0 3209=99, 1.8/7175=91...(14) Violated in 0 structures by 0.00 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 2.9-3.4 3218=68, 3.0/7173=65...(12) HG2 MET 74 - H GLN 72 far 0 99 0 - 5.3-6.1 Violated in 0 structures by 0.00 A. Peak 7178 from nnoeabs.peaks (7.84, 7.91, 115.96 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 73 + H GLN 72 OK 100 100 100 100 2.5-2.7 7196=100, 7199/7173=47...(13) H LYS 66 - H GLN 72 far 0 59 0 - 8.9-9.1 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): 2 out of 5 assignments used, quality = 1.00: * HB2 GLN 72 + HE21 GLN 72 OK 100 100 100 100 3.6-4.7 4.4=100 HG2 GLU 69 + HE21 GLN 72 OK 27 63 50 84 3.9-7.3 4.1/9570=74, ~9033=17...(6) HB3 GLU 69 - HE21 GLN 72 poor 13 63 20 - 5.5-7.6 HB2 GLU 69 - HE21 GLN 72 far 10 63 15 - 5.5-7.8 HG2 GLU 75 - HE21 GLN 72 far 0 99 0 - 9.1-11.8 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 3.8-4.1 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 1 assignment used, quality = 1.00: * HG3 GLN 72 + HE21 GLN 72 OK 100 100 100 100 3.4-3.7 3.5=100 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 4.6-5.1 3186/3.5=91, 3187/3.5=88...(7) HA LYS 73 - HE22 GLN 72 far 0 95 0 - 6.3-8.4 Violated in 0 structures by 0.00 A. Peak 7190 from nnoeabs.peaks (2.16, 7.44, 111.53 ppm; 5.23 A): 3 out of 7 assignments used, quality = 1.00: * HB2 GLN 72 + HE22 GLN 72 OK 100 100 100 100 2.7-4.5 4.4=100 HB3 GLU 69 + HE22 GLN 72 OK 22 63 35 97 4.5-7.2 3.0/9571=74, ~9570=50...(8) HG2 GLU 69 + HE22 GLN 72 OK 21 63 45 72 3.8-6.5 4.1/9571=62, 1.8/9033=13...(4) HB2 GLU 69 - HE22 GLN 72 poor 13 63 20 - 4.6-6.9 HG2 GLU 75 - HE22 GLN 72 far 0 99 0 - 8.8-11.6 HG3 GLU 75 - HE22 GLN 72 far 0 99 0 - 9.9-12.1 HB2 GLU 75 - HE22 GLN 72 far 0 81 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 7191 from nnoeabs.peaks (2.23, 7.44, 111.53 ppm; 5.61 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 72 + HE22 GLN 72 OK 100 100 100 100 2.0-3.9 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 3.0-3.6 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 2.1-2.7 3.5=100 HG2 MET 74 - HE22 GLN 72 far 0 99 0 - 8.6-10.8 Violated in 0 structures by 0.00 A. Peak 7194 from nnoeabs.peaks (6.85, 7.44, 111.53 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 72 + HE22 GLN 72 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 7195 from nnoeabs.peaks (7.84, 7.84, 119.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 73 + H LYS 73 OK 100 100 - 100 Peak 7196 from nnoeabs.peaks (7.91, 7.84, 119.03 ppm; 3.11 A): 1 out of 2 assignments used, quality = 0.99: * H GLN 72 + H LYS 73 OK 99 100 100 99 2.5-2.7 7178=80, 7173/7199=40...(13) H GLU 69 - H LYS 73 far 0 100 0 - 5.8-6.2 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 = 0.98: HA LYS 73 + H LYS 73 OK 95 95 100 100 2.8-2.8 3.0=100 * HA GLN 72 + H LYS 73 OK 59 100 60 99 3.5-3.6 3.6=76, 3.0/7196=54...(9) 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 10 assignments used, quality = 0.99: * HB2 GLN 72 + H LYS 73 OK 99 100 100 99 2.9-3.5 1.8/7199=69, 3199=68...(11) HB3 GLU 69 - H LYS 73 far 0 63 0 - 4.7-5.2 HB2 GLU 69 - H LYS 73 far 0 63 0 - 5.7-6.1 HG2 GLU 75 - H LYS 73 far 0 99 0 - 6.1-8.4 HG3 GLU 75 - H LYS 73 far 0 99 0 - 6.2-8.1 HG2 GLU 69 - H LYS 73 far 0 63 0 - 6.5-7.4 HB3 GLU 75 - H LYS 73 far 0 84 0 - 7.4-7.8 HB2 GLU 75 - H LYS 73 far 0 81 0 - 7.7-8.2 HG3 GLU 35 - H LYS 73 far 0 71 0 - 9.4-10.2 HG2 GLU 35 - H LYS 73 far 0 71 0 - 9.5-10.9 Violated in 0 structures by 0.00 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 2.6-3.0 1.8/7198=77, 3208=74...(11) HG3 GLU 35 - H LYS 73 far 0 59 0 - 9.4-10.2 HG2 GLU 35 - H LYS 73 far 0 59 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 7200 from nnoeabs.peaks (2.42, 7.84, 119.03 ppm; 5.20 A increased from 4.62 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 72 + H LYS 73 OK 100 100 100 100 4.8-5.0 3.0/7198=93, 3.0/7199=92...(8) Violated in 0 structures by 0.00 A. Peak 7201 from nnoeabs.peaks (2.54, 7.84, 119.03 ppm; 4.98 A increased from 4.42 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 72 + H LYS 73 OK 100 100 100 100 4.7-5.0 3.0/7198=90, 3.0/7199=88...(7) HG2 MET 74 + H LYS 73 OK 98 99 100 100 4.2-4.9 7228/7213=84...(10) Violated in 0 structures by 0.00 A. Peak 7204 from nnoeabs.peaks (4.17, 7.84, 119.03 ppm; 3.06 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 73 + H LYS 73 OK 100 100 100 100 2.8-2.8 3.0=100 HA GLN 72 - H LYS 73 far 0 95 0 - 3.5-3.6 Violated in 0 structures by 0.00 A. Peak 7205 from nnoeabs.peaks (1.96, 7.84, 119.03 ppm; 2.81 A): 1 out of 4 assignments used, quality = 0.97: * HB2 LYS 73 + H LYS 73 OK 97 100 100 97 2.3-2.6 3238=73, 2.9/7208=35...(22) HB3 LYS 73 - H LYS 73 far 0 100 0 - 3.5-3.6 HB3 MET 74 - H LYS 73 far 0 100 0 - 4.5-4.9 HB2 ARG 46 - H LYS 73 far 0 95 0 - 9.3-12.2 Violated in 0 structures by 0.00 A. Peak 7206 from nnoeabs.peaks (1.96, 7.84, 119.03 ppm; 2.81 A): 1 out of 4 assignments used, quality = 0.97: HB2 LYS 73 + H LYS 73 OK 97 100 100 97 2.3-2.6 3249=73, 2.9/7208=35...(22) ! HB3 LYS 73 - H LYS 73 far 0 100 0 - 3.5-3.6 HB3 MET 74 - H LYS 73 far 0 100 0 - 4.5-4.9 HB2 ARG 46 - H LYS 73 far 0 94 0 - 9.3-12.2 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 3 assignments used, quality = 1.00: * HG2 LYS 73 + H LYS 73 OK 100 100 100 100 2.4-3.4 3260=94, 1.8/7208=85...(28) HB2 LEU 38 - H LYS 73 far 0 63 0 - 9.6-11.4 HG LEU 38 - H LYS 73 far 0 71 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 7208 from nnoeabs.peaks (1.60, 7.84, 119.03 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 73 + H LYS 73 OK 100 100 100 100 2.3-3.1 2.9/7205=67, 3271=66...(27) HD2 LYS 66 - H LYS 73 far 0 100 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 7209 from nnoeabs.peaks (1.67, 7.84, 119.03 ppm; 5.05 A increased from 4.25 A): 2 out of 10 assignments used, quality = 1.00: * HD2 LYS 73 + H LYS 73 OK 100 100 100 100 4.6-5.0 3.6/7206=92, 3.0/7208=92...(35) HD3 LYS 73 + H LYS 73 OK 100 100 100 100 4.6-5.0 3.6/7205=92, 3.0/7208=92...(34) HG LEU 70 - H LYS 73 far 0 75 0 - 5.8-6.1 HB ILE 76 - H LYS 73 far 0 88 0 - 6.4-6.8 HD2 LYS 39 - H LYS 73 far 0 98 0 - 7.1-10.6 HD3 LYS 39 - H LYS 73 far 0 84 0 - 7.6-9.6 HG2 LYS 68 - H LYS 73 far 0 85 0 - 7.8-8.4 HD3 LYS 68 - H LYS 73 far 0 96 0 - 8.3-9.9 HD2 LYS 68 - H LYS 73 far 0 96 0 - 8.5-10.1 HD3 LYS 66 - H LYS 73 far 0 70 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 7210 from nnoeabs.peaks (1.67, 7.84, 119.03 ppm; 4.98 A increased from 3.98 A): 2 out of 10 assignments used, quality = 1.00: * HD3 LYS 73 + H LYS 73 OK 100 100 100 100 4.6-5.0 3.6/7205=91, 3.0/7208=91...(34) HD2 LYS 73 + H LYS 73 OK 100 100 100 100 4.6-5.0 3.6/7206=91, 3.0/7208=91...(35) HG LEU 70 - H LYS 73 far 0 71 0 - 5.8-6.1 HB ILE 76 - H LYS 73 far 0 91 0 - 6.4-6.8 HD2 LYS 39 - H LYS 73 far 0 99 0 - 7.1-10.6 HD3 LYS 39 - H LYS 73 far 0 87 0 - 7.6-9.6 HG2 LYS 68 - H LYS 73 far 0 88 0 - 7.8-8.4 HD3 LYS 68 - H LYS 73 far 0 97 0 - 8.3-9.9 HD2 LYS 68 - H LYS 73 far 0 98 0 - 8.5-10.1 HD3 LYS 66 - H LYS 73 far 0 65 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 7211 from nnoeabs.peaks (2.95, 7.84, 119.03 ppm; 5.99 A increased from 5.64 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 73 + H LYS 73 OK 95 100 95 100 4.4-6.3 4.0/7208=93, 4.9/7205=90...(23) HE3 LYS 73 + H LYS 73 OK 95 100 95 100 4.4-6.4 4.0/7208=93, 4.9/7206=90...(25) Violated in 0 structures by 0.00 A. Peak 7212 from nnoeabs.peaks (2.95, 7.84, 119.03 ppm; 5.99 A increased from 5.64 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 73 + H LYS 73 OK 95 100 95 100 4.4-6.4 4.0/7208=93, 4.9/7206=90...(25) HE2 LYS 73 + H LYS 73 OK 95 100 95 100 4.4-6.3 4.0/7208=93, 4.9/7205=90...(23) HE3 LYS 68 - H LYS 73 far 0 61 0 - 7.8-10.3 HE2 LYS 68 - H LYS 73 far 0 65 0 - 8.2-11.0 Violated in 0 structures by 0.00 A. Peak 7213 from nnoeabs.peaks (7.75, 7.84, 119.03 ppm; 3.15 A): 1 out of 2 assignments used, quality = 0.98: * H MET 74 + H LYS 73 OK 98 100 100 98 2.5-2.6 7215=79, 4.6/7206=29...(16) H VAL 78 - H LYS 73 far 0 99 0 - 8.4-8.8 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 2.5-2.6 7213=100, 7206/4.6=35...(16) 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 74 95 80 97 3.7-4.3 3.6/7213=59, 10848=51...(10) Violated in 0 structures by 0.00 A. Peak 7217 from nnoeabs.peaks (1.96, 7.75, 115.79 ppm; 3.05 A): 2 out of 5 assignments used, quality = 0.99: HB3 MET 74 + H MET 74 OK 97 100 100 97 2.3-2.5 1.8/7226=50, 4.0=43...(14) * HB2 LYS 73 + H MET 74 OK 58 100 65 90 2.7-4.1 7205/7213=49, 3259=31...(12) HB3 LYS 73 - H MET 74 far 0 100 0 - 3.7-4.3 HB2 ARG 46 - H MET 74 far 0 95 0 - 6.9-9.7 HB3 ARG 46 - H MET 74 far 0 100 0 - 8.2-9.4 Violated in 0 structures by 0.00 A. Peak 7218 from nnoeabs.peaks (1.96, 7.75, 115.79 ppm; 3.05 A): 2 out of 5 assignments used, quality = 0.99: HB3 MET 74 + H MET 74 OK 97 100 100 97 2.3-2.5 1.8/7226=50, 4.0=43...(14) HB2 LYS 73 + H MET 74 OK 58 100 65 90 2.7-4.1 7206/7213=49, 3259=31...(12) ! HB3 LYS 73 - H MET 74 far 0 100 0 - 3.7-4.3 HB2 ARG 46 - H MET 74 far 0 94 0 - 6.9-9.7 HB3 ARG 46 - H MET 74 far 0 100 0 - 8.2-9.4 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 2 assignments used, quality = 1.00: * HG2 LYS 73 + H MET 74 OK 100 100 100 100 3.9-4.9 7207/7213=85...(12) HB2 LEU 38 - H MET 74 far 0 63 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 7220 from nnoeabs.peaks (1.60, 7.75, 115.79 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 73 + H MET 74 OK 100 100 100 100 2.3-4.9 7208/7213=89...(12) Violated in 0 structures by 0.00 A. Peak 7221 from nnoeabs.peaks (1.67, 7.75, 115.79 ppm; 5.48 A increased from 5.16 A): 3 out of 7 assignments used, quality = 0.97: HB ILE 76 + H MET 74 OK 88 88 100 100 5.0-5.3 3.2/9592=78, 4.0/9583=73...(10) HD3 LYS 73 + H MET 74 OK 60 100 60 100 4.1-6.7 3.0/7220=78, 3.0/7219=77...(9) * HD2 LYS 73 + H MET 74 OK 45 100 45 100 3.8-6.7 3.0/7220=78, 3.0/7219=77...(10) HD3 LYS 39 - H MET 74 far 0 84 0 - 6.7-8.3 HD2 LYS 39 - H MET 74 far 0 98 0 - 6.7-9.6 HG LEU 70 - H MET 74 far 0 75 0 - 6.9-7.7 HG2 LYS 68 - H MET 74 far 0 85 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 7222 from nnoeabs.peaks (1.67, 7.75, 115.79 ppm; 5.53 A increased from 4.92 A): 3 out of 7 assignments used, quality = 0.99: HB ILE 76 + H MET 74 OK 91 91 100 100 5.0-5.3 3.2/9592=79, 4.0/9583=74...(10) * HD3 LYS 73 + H MET 74 OK 70 100 70 100 4.1-6.7 3.0/7220=79, 3.0/7219=78...(9) HD2 LYS 73 + H MET 74 OK 50 100 50 100 3.8-6.7 3.0/7220=79, 3.0/7219=78...(10) HD3 LYS 39 - H MET 74 far 0 87 0 - 6.7-8.3 HD2 LYS 39 - H MET 74 far 0 99 0 - 6.7-9.6 HG LEU 70 - H MET 74 far 0 71 0 - 6.9-7.7 HG2 LYS 68 - H MET 74 far 0 88 0 - 9.8-10.5 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 - 6.3-6.6 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 2 assignments used, quality = 1.00: * HB2 MET 74 + H MET 74 OK 100 100 100 100 3.6-3.7 4.0=75, 1.8/7230=75...(13) HB3 LEU 38 - H MET 74 far 0 99 0 - 9.8-11.9 Violated in 1 structures by 0.00 A. Peak 7227 from nnoeabs.peaks (1.96, 7.75, 115.79 ppm; 3.05 A): 2 out of 6 assignments used, quality = 0.99: * HB3 MET 74 + H MET 74 OK 98 100 100 98 2.3-2.5 1.8/7226=50, 4.0=43...(15) HB2 LYS 73 + H MET 74 OK 58 100 65 89 2.7-4.1 7205/7213=49, 3259=31...(12) HB3 LYS 73 - H MET 74 far 0 100 0 - 3.7-4.3 QE MET 74 - H MET 74 far 0 59 0 - 4.3-4.9 HB2 ARG 46 - H MET 74 far 0 98 0 - 6.9-9.7 HB3 ARG 46 - H MET 74 far 0 100 0 - 8.2-9.4 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 2.5-3.3 3350=71, 1.8/7229=66...(16) HG3 GLN 72 - H MET 74 far 0 99 0 - 5.9-6.7 Violated in 0 structures by 0.00 A. Peak 7229 from nnoeabs.peaks (2.62, 7.75, 115.79 ppm; 3.93 A increased from 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 74 + H MET 74 OK 100 100 100 100 3.1-4.0 1.8/7228=82, 2.9/7230=66...(17) HB3 ASP 77 - H MET 74 far 0 98 0 - 9.8-10.2 Violated in 2 structures by 0.00 A. Peak 7230 from nnoeabs.peaks (2.00, 7.75, 115.79 ppm; 3.61 A): 1 out of 3 assignments used, quality = 0.59: HB3 MET 74 + H MET 74 OK 59 59 100 100 2.3-2.5 4.0=72, 1.8/7226=71...(13) ! QE MET 74 - H MET 74 far 0 100 0 - 4.3-4.9 HB2 ARG 46 - H MET 74 far 0 82 0 - 6.9-9.7 Violated in 0 structures by 0.00 A. Peak 7231 from nnoeabs.peaks (8.08, 7.75, 115.79 ppm; 3.57 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 75 + H MET 74 OK 100 100 100 100 2.2-2.6 7233=94, 4.3/7230=38...(16) H LYS 39 - H MET 74 far 0 100 0 - 9.6-10.3 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 2.2-2.6 7231=100, 7230/4.3=39...(16) H VAL 78 - H GLU 75 far 0 99 0 - 7.7-8.1 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 3.1-3.3 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 4.2-4.4 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): 1 out of 6 assignments used, quality = 1.00: * HB3 MET 74 + H GLU 75 OK 100 100 100 100 3.5-3.8 4.3=100 HB2 LYS 73 - H GLU 75 far 10 100 10 - 4.7-5.5 HB3 LYS 73 - H GLU 75 far 0 100 0 - 5.1-5.4 QE MET 74 - H GLU 75 far 0 59 0 - 5.8-6.3 HB2 ARG 46 - H GLU 75 far 0 98 0 - 7.0-9.1 HB3 ARG 46 - H GLU 75 far 0 100 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 7237 from nnoeabs.peaks (2.53, 8.08, 116.25 ppm; 5.50 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 74 + H GLU 75 OK 100 100 100 100 4.5-5.3 4.8=100 HG3 GLN 72 - H GLU 75 far 0 99 0 - 6.2-7.0 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 4.8-5.5 4.8=100 HB3 ASP 77 - H GLU 75 far 0 98 0 - 8.6-9.0 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 3.5-3.8 4.3=100 ! QE MET 74 - H GLU 75 far 0 100 0 - 5.8-6.3 HB2 ARG 46 - H GLU 75 far 0 82 0 - 7.0-9.1 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 - 6.6-7.0 HA GLU 69 - H GLU 75 far 0 100 0 - 7.5-7.9 Violated in 0 structures by 0.00 A. Peak 7241 from nnoeabs.peaks (2.13, 8.08, 116.25 ppm; 3.50 A): 2 out of 6 assignments used, quality = 0.62: HG2 GLU 75 + H GLU 75 OK 49 63 95 82 2.7-4.5 5.0=34, 1.8/3402=22...(12) HG3 GLU 75 + H GLU 75 OK 25 59 50 85 2.9-4.5 5.0=34, 1.8/3402=23...(14) ! HB2 GLU 75 - H GLU 75 far 0 100 0 - 4.0-4.1 HB2 GLN 72 - H GLU 75 far 0 81 0 - 4.7-5.3 HB3 GLU 69 - H GLU 75 far 0 99 0 - 8.8-9.1 HB2 GLU 69 - H GLU 75 far 0 99 0 - 9.6-10.0 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 96 100 100 96 3.3-3.7 4.0=69, 4.1/7247=41...(14) HG2 GLU 75 + H GLU 75 OK 80 95 95 89 2.7-4.5 5.0=36, 3377/2.9=27...(14) HG3 GLU 75 + H GLU 75 OK 43 96 50 90 2.9-4.5 5.0=36, 3403/2.9=26...(15) HB2 GLN 72 - H GLU 75 far 0 84 0 - 4.7-5.3 HG2 GLU 43 - H GLU 75 far 0 100 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 7243 from nnoeabs.peaks (2.17, 8.08, 116.25 ppm; 3.35 A): 3 out of 6 assignments used, quality = 0.93: * HG2 GLU 75 + H GLU 75 OK 80 100 95 84 2.7-4.5 5.0=29, 3403/2.9=24...(14) HG3 GLU 75 + H GLU 75 OK 43 100 50 86 2.9-4.5 5.0=29, 3403/2.9=24...(15) HB3 GLU 75 + H GLU 75 OK 40 95 45 93 3.3-3.7 4.0=57, 4.1/7247=36...(13) HB2 GLU 75 - H GLU 75 far 0 63 0 - 4.0-4.1 HB2 GLN 72 - H GLU 75 far 0 99 0 - 4.7-5.3 HG2 GLU 43 - H GLU 75 far 0 96 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 7244 from nnoeabs.peaks (2.17, 8.08, 116.25 ppm; 3.35 A): 3 out of 6 assignments used, quality = 0.93: HG2 GLU 75 + H GLU 75 OK 80 100 95 84 2.7-4.5 5.0=29, 3403/2.9=24...(14) * HG3 GLU 75 + H GLU 75 OK 43 100 50 86 2.9-4.5 5.0=29, 3403/2.9=24...(15) HB3 GLU 75 + H GLU 75 OK 40 96 45 93 3.3-3.7 4.0=57, 4.1/7247=36...(13) HB2 GLU 75 - H GLU 75 far 0 59 0 - 4.0-4.1 HB2 GLN 72 - H GLU 75 far 0 99 0 - 4.7-5.3 HG2 GLU 43 - H GLU 75 far 0 97 0 - 9.8-11.8 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 2.7-2.9 7247=100, 7248/2.9=67...(11) 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 = 0.98: * H GLU 75 + H ILE 76 OK 98 100 100 98 2.7-2.9 7245=80, 2.9/7248=59...(11) 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 = 0.97: * HA GLU 75 + H ILE 76 OK 97 100 100 97 2.6-2.7 3380=83, 2.9/7247=47...(13) HA LEU 70 - H ILE 76 far 0 93 0 - 7.6-8.0 HA GLU 69 - H ILE 76 far 0 100 0 - 8.0-8.4 Violated in 0 structures by 0.00 A. Peak 7249 from nnoeabs.peaks (2.13, 7.56, 115.96 ppm; 4.70 A increased from 3.96 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 75 + H ILE 76 OK 100 100 100 100 4.3-4.5 4.1=100 HG2 GLU 75 + H ILE 76 OK 36 63 60 95 4.9-6.0 4.0/7248=73, 5.0/7247=55...(10) HG3 GLU 75 - H ILE 76 far 6 59 10 - 4.9-6.0 HB2 GLN 72 - H ILE 76 far 0 81 0 - 5.6-5.9 HB3 GLU 69 - H ILE 76 far 0 99 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 7250 from nnoeabs.peaks (2.19, 7.56, 115.96 ppm; 4.40 A increased from 4.14 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 75 + H ILE 76 OK 100 100 100 100 4.3-4.5 4.1=100 HG2 GLU 75 - H ILE 76 far 0 95 0 - 4.9-6.0 HG3 GLU 75 - H ILE 76 far 0 96 0 - 4.9-6.0 HB2 GLN 72 - H ILE 76 far 0 84 0 - 5.6-5.9 HG2 GLU 43 - H ILE 76 far 0 100 0 - 9.7-11.8 Violated in 2 structures by 0.00 A. Peak 7251 from nnoeabs.peaks (2.17, 7.56, 115.96 ppm; 4.55 A increased from 3.83 A): 2 out of 6 assignments used, quality = 0.98: HB3 GLU 75 + H ILE 76 OK 95 95 100 100 4.3-4.5 4.1=100 HB2 GLU 75 + H ILE 76 OK 63 63 100 100 4.3-4.5 4.1=100 ! HG2 GLU 75 - H ILE 76 far 0 100 0 - 4.9-6.0 HG3 GLU 75 - H ILE 76 far 0 100 0 - 4.9-6.0 HB2 GLN 72 - H ILE 76 far 0 99 0 - 5.6-5.9 HG2 GLU 43 - H ILE 76 far 0 96 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 7252 from nnoeabs.peaks (2.17, 7.56, 115.96 ppm; 4.55 A increased from 3.83 A): 2 out of 6 assignments used, quality = 0.99: HB3 GLU 75 + H ILE 76 OK 96 96 100 100 4.3-4.5 4.1=100 HB2 GLU 75 + H ILE 76 OK 59 59 100 100 4.3-4.5 4.1=100 HG2 GLU 75 - H ILE 76 far 0 100 0 - 4.9-6.0 ! HG3 GLU 75 - H ILE 76 far 0 100 0 - 4.9-6.0 HB2 GLN 72 - H ILE 76 far 0 99 0 - 5.6-5.9 HG2 GLU 43 - H ILE 76 far 0 97 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 7253 from nnoeabs.peaks (4.43, 7.56, 115.96 ppm; 3.57 A): 1 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 far 0 85 0 - 5.0-5.3 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 6 assignments used, quality = 1.00: * HB ILE 76 + H ILE 76 OK 100 100 100 100 2.7-2.9 3417=86, 2.1/3425=57...(14) HD2 LYS 73 - H ILE 76 far 0 88 0 - 7.5-10.1 HD3 LYS 73 - H ILE 76 far 0 91 0 - 7.8-10.1 HD2 LYS 39 - H ILE 76 far 0 99 0 - 9.9-12.5 HD3 LYS 39 - H ILE 76 far 0 100 0 - 10.0-11.4 HB ILE 52 - H ILE 76 far 0 84 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 7255 from nnoeabs.peaks (0.88, 7.56, 115.96 ppm; 4.09 A increased from 3.64 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 76 + H ILE 76 OK 100 100 100 100 3.9-4.0 4.0=100 QD1 LEU 38 - H ILE 76 far 0 88 0 - 7.8-8.4 Violated in 0 structures by 0.00 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 2.3-2.6 3433=80, 1.8/3441=61...(15) Violated in 0 structures by 0.00 A. Peak 7257 from nnoeabs.peaks (1.44, 7.56, 115.96 ppm; 3.86 A increased from 3.63 A): 2 out of 4 assignments used, quality = 1.00: * HG13 ILE 76 + H ILE 76 OK 100 100 100 100 3.4-3.7 3441=92, 1.8/7256=82...(14) QB ALA 71 + H ILE 76 OK 75 84 95 94 3.7-4.2 2.1/9649=53...(10) HG3 LYS 39 - H ILE 76 far 0 100 0 - 9.4-11.7 HG2 LYS 53 - H ILE 76 far 0 82 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 7258 from nnoeabs.peaks (0.80, 7.56, 115.96 ppm; 4.25 A): 1 out of 7 assignments used, quality = 1.00: * QD1 ILE 76 + H ILE 76 OK 100 100 100 100 3.8-4.1 2.1/7256=87, 3449=85...(12) QD2 LEU 42 - H ILE 76 far 0 70 0 - 5.0-5.5 QG2 ILE 52 - H ILE 76 far 0 90 0 - 6.4-7.4 QG1 VAL 54 - H ILE 76 far 0 59 0 - 8.1-8.8 QD2 LEU 70 - H ILE 76 far 0 100 0 - 8.3-8.8 QD1 LEU 70 - H ILE 76 far 0 96 0 - 8.9-9.4 QD1 LEU 6 - H ILE 76 far 0 77 0 - 9.0-9.4 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 4.3-4.5 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 4.3-4.5 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 2.1-2.3 3416=91, 3.2/7264=39...(11) HA GLN 50 - H ASP 77 far 0 77 0 - 7.6-9.1 HA MET 74 - H ASP 77 far 0 85 0 - 8.8-9.1 HA GLU 48 - H ASP 77 far 0 100 0 - 9.1-10.0 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 3 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...(14) HB ILE 52 - H ASP 77 far 0 84 0 - 6.4-7.6 HB3 ARG 79 - H ASP 77 far 0 99 0 - 9.9-10.4 Violated in 1 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 1.9-2.7 3432=93, 3.2/7262=64...(15) QD1 LEU 2 - H ASP 77 far 0 100 0 - 7.5-8.7 QD1 LEU 103 - H ASP 77 far 0 93 0 - 7.9-16.6 QD1 LEU 38 - H ASP 77 far 0 88 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 7265 from nnoeabs.peaks (1.09, 8.89, 126.14 ppm; 5.36 A increased from 5.05 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 76 + H ASP 77 OK 100 100 100 100 5.0-5.2 3440=100, 1.8/7266=91...(9) Violated in 0 structures by 0.00 A. Peak 7266 from nnoeabs.peaks (1.44, 8.89, 126.14 ppm; 4.85 A increased from 4.57 A): 1 out of 6 assignments used, quality = 1.00: * HG13 ILE 76 + H ASP 77 OK 100 100 100 100 4.4-4.7 3.2/7264=81, 3.8/7262=80...(9) QB ALA 71 - H ASP 77 poor 17 84 20 - 4.9-5.6 HG2 LYS 53 - H ASP 77 far 0 82 0 - 5.3-6.7 HG3 LYS 53 - H ASP 77 far 0 73 0 - 6.9-8.4 HG13 ILE 52 - H ASP 77 far 0 91 0 - 7.3-8.4 HD2 LYS 53 - H ASP 77 far 0 88 0 - 7.3-9.2 Violated in 0 structures by 0.00 A. Peak 7267 from nnoeabs.peaks (0.80, 8.89, 126.14 ppm; 4.97 A): 2 out of 7 assignments used, quality = 1.00: * QD1 ILE 76 + H ASP 77 OK 100 100 100 100 4.7-5.2 3456=88, 3452/3432=83...(10) QG2 ILE 52 + H ASP 77 OK 55 90 100 61 3.4-4.4 9199/9671=28...(5) QD2 LEU 42 - H ASP 77 far 3 70 5 - 5.3-5.9 QG1 VAL 54 - H ASP 77 far 0 59 0 - 6.7-7.4 QD2 LEU 103 - H ASP 77 far 0 84 0 - 8.5-15.7 QD1 LEU 6 - H ASP 77 far 0 77 0 - 8.5-9.0 QD2 LEU 2 - H ASP 77 far 0 99 0 - 9.1-10.6 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 2 assignments used, quality = 1.00: * HA ASP 77 + H ASP 77 OK 100 100 100 100 2.8-2.9 3.0=100 HA HIS 105 - H ASP 77 far 0 87 0 - 9.7-21.3 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 3 assignments used, quality = 0.99: * HB2 ASP 77 + H ASP 77 OK 99 100 100 99 2.9-3.6 3462=89, 1.8/7270=73...(9) HD3 ARG 46 - H ASP 77 far 0 96 0 - 7.6-9.3 HB2 HIS 106 - H ASP 77 far 0 87 0 - 9.0-23.8 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 2.1-3.1 3467=99, 1.8/7269=72...(8) HG3 MET 74 - H ASP 77 far 0 98 0 - 8.9-10.1 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 3.9-4.2 4.6=100 H SER 49 - H ASP 77 far 0 79 0 - 6.6-7.8 H MET 74 - H ASP 77 far 0 99 0 - 8.1-8.3 Violated in 0 structures by 0.00 A. Peak 7272 from nnoeabs.peaks (7.75, 7.75, 122.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 78 + H VAL 78 OK 100 100 - 100 Peak 7273 from nnoeabs.peaks (8.89, 7.75, 122.84 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 77 + H VAL 78 OK 100 100 100 100 3.9-4.2 4.6=94, 3.0/7274=93...(8) Violated in 0 structures by 0.00 A. Peak 7274 from nnoeabs.peaks (4.57, 7.75, 122.84 ppm; 2.74 A): 1 out of 1 assignment used, quality = 0.92: * HA ASP 77 + H VAL 78 OK 92 100 100 92 2.2-2.3 3461=80, 3.0/7273=21...(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 3 assignments used, quality = 1.00: * HB2 ASP 77 + H VAL 78 OK 100 100 100 100 3.9-4.3 4.4=100 HB2 HIS 106 - H VAL 78 far 0 87 0 - 9.4-24.6 HD3 ARG 46 - H VAL 78 far 0 96 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 7276 from nnoeabs.peaks (2.63, 7.75, 122.84 ppm; 4.89 A increased from 4.11 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 77 + H VAL 78 OK 100 100 100 100 4.4-4.7 4.4=100 HG3 MET 74 - H VAL 78 far 0 98 0 - 9.2-11.1 Violated in 0 structures by 0.00 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 - 7.3-7.6 Violated in 0 structures by 0.00 A. Peak 7278 from nnoeabs.peaks (1.78, 7.75, 122.84 ppm; 3.88 A increased from 3.45 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 78 + H VAL 78 OK 100 100 100 100 3.8-3.9 3.8=100 HB ILE 56 - H VAL 78 far 0 95 0 - 7.4-8.0 HB2 GLU 104 - H VAL 78 far 0 79 0 - 8.0-22.1 HG3 ARG 46 - H VAL 78 far 0 100 0 - 8.1-10.2 HB2 LEU 42 - H VAL 78 far 0 82 0 - 9.7-10.1 Violated in 1 structures by 0.00 A. Peak 7279 from nnoeabs.peaks (0.72, 7.75, 122.84 ppm; 2.99 A): 2 out of 8 assignments used, quality = 0.98: * QG2 VAL 78 + H VAL 78 OK 91 100 100 91 2.2-2.4 4.0=42, 2.1/3490=29...(12) QG1 VAL 78 + H VAL 78 OK 81 87 100 93 2.6-2.8 4.0=42, 2.1/3484=31...(15) QD1 ILE 56 - H VAL 78 far 0 97 0 - 5.1-5.6 QD1 LEU 42 - H VAL 78 far 0 71 0 - 6.5-6.9 HG13 ILE 56 - H VAL 78 far 0 100 0 - 7.6-8.1 QD1 ILE 52 - H VAL 78 far 0 82 0 - 8.0-9.2 QD1 LEU 64 - H VAL 78 far 0 92 0 - 8.6-9.6 QG1 VAL 5 - H VAL 78 far 0 100 0 - 9.9-10.5 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 10 assignments used, quality = 0.99: * QG1 VAL 78 + H VAL 78 OK 96 100 100 96 2.6-2.8 4.0=46, 2.1/3484=33...(15) QG2 VAL 78 + H VAL 78 OK 79 87 100 91 2.2-2.4 4.0=46, 2.1/3490=31...(11) QD1 ILE 56 - H VAL 78 far 0 61 0 - 5.1-5.6 QD2 LEU 42 - H VAL 78 far 0 91 0 - 5.3-5.6 QG2 ILE 52 - H VAL 78 far 0 71 0 - 5.9-7.0 QG1 VAL 54 - H VAL 78 far 0 96 0 - 6.1-6.4 HG13 ILE 56 - H VAL 78 far 0 75 0 - 7.6-8.1 QD1 LEU 6 - H VAL 78 far 0 85 0 - 7.7-8.1 QD1 LEU 64 - H VAL 78 far 0 100 0 - 8.6-9.6 QG1 VAL 5 - H VAL 78 far 0 93 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 7281 from nnoeabs.peaks (8.50, 7.75, 122.84 ppm; 4.50 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 79 + H VAL 78 OK 100 100 100 100 4.4-4.5 4.6=94, 7284/3.0=89...(8) H VAL 54 - H VAL 78 far 10 99 10 - 4.8-5.2 H LYS 53 - H VAL 78 far 0 73 0 - 8.2-8.9 Violated in 1 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 4.4-4.5 4.6=100 Violated in 0 structures by 0.00 A. Peak 7284 from nnoeabs.peaks (5.19, 8.50, 125.64 ppm; 3.02 A): 1 out of 2 assignments used, quality = 0.95: * HA VAL 78 + H ARG 79 OK 95 100 100 95 2.2-2.4 3.6=61, 3.0/7285=37...(15) HA VAL 54 - H ARG 79 far 0 71 0 - 4.8-5.1 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 3 assignments used, quality = 0.99: * HB VAL 78 + H ARG 79 OK 99 100 100 99 2.6-3.0 3.0/7284=67, 4.4=59...(15) HB ILE 56 - H ARG 79 far 0 95 0 - 5.1-5.6 HB2 GLU 104 - H ARG 79 far 0 79 0 - 7.6-20.4 Violated in 0 structures by 0.00 A. Peak 7286 from nnoeabs.peaks (0.72, 8.50, 125.64 ppm; 3.67 A increased from 3.27 A): 2 out of 15 assignments used, quality = 1.00: * QG2 VAL 78 + H ARG 79 OK 99 100 100 99 3.0-3.7 2.1/7285=68, 4.3=65...(14) QG1 VAL 78 + H ARG 79 OK 56 87 65 99 3.9-4.0 2.1/7285=68, 4.3=65...(14) QD1 ILE 56 - H ARG 79 far 0 97 0 - 4.3-5.1 HG13 ILE 56 - H ARG 79 far 0 100 0 - 5.7-6.3 QG1 VAL 5 - H ARG 79 far 0 100 0 - 6.4-7.1 HG3 ARG 81 - H ARG 79 far 0 94 0 - 6.9-10.0 QD1 LEU 64 - H ARG 79 far 0 92 0 - 7.2-7.6 QD1 LEU 42 - H ARG 79 far 0 71 0 - 7.6-8.3 QD1 ILE 52 - H ARG 79 far 0 82 0 - 7.9-9.3 QG1 VAL 58 - H ARG 79 far 0 100 0 - 8.2-8.7 QD2 LEU 6 - H ARG 79 far 0 68 0 - 8.7-9.0 QD1 ILE 8 - H ARG 79 far 0 98 0 - 8.9-9.3 QG2 ILE 93 - H ARG 79 far 0 79 0 - 9.3-10.4 QD2 LEU 27 - H ARG 79 far 0 99 0 - 9.6-10.7 HG13 ILE 93 - H ARG 79 far 0 90 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 7287 from nnoeabs.peaks (0.74, 8.50, 125.64 ppm; 3.72 A increased from 3.30 A): 2 out of 17 assignments used, quality = 0.98: QG2 VAL 78 + H ARG 79 OK 86 87 100 100 3.0-3.7 2.1/7285=69, 4.3=67...(14) * QG1 VAL 78 + H ARG 79 OK 85 100 85 99 3.9-4.0 2.1/7285=69, 4.3=67...(14) QD1 ILE 56 - H ARG 79 far 0 61 0 - 4.3-5.1 QG1 VAL 54 - H ARG 79 far 0 96 0 - 4.3-4.8 HG13 ILE 56 - H ARG 79 far 0 75 0 - 5.7-6.3 QD2 LEU 42 - H ARG 79 far 0 91 0 - 6.0-6.6 QG1 VAL 5 - H ARG 79 far 0 93 0 - 6.4-7.1 QD1 LEU 6 - H ARG 79 far 0 85 0 - 6.6-7.0 HG3 ARG 81 - H ARG 79 far 0 100 0 - 6.9-10.0 QG2 ILE 52 - H ARG 79 far 0 71 0 - 6.9-8.1 QD1 LEU 64 - H ARG 79 far 0 100 0 - 7.2-7.6 QD1 LEU 27 - H ARG 79 far 0 88 0 - 8.2-9.5 QG1 VAL 58 - H ARG 79 far 0 85 0 - 8.2-8.7 QD1 ILE 8 - H ARG 79 far 0 65 0 - 8.9-9.3 QG2 ILE 93 - H ARG 79 far 0 100 0 - 9.3-10.4 QD2 LEU 27 - H ARG 79 far 0 96 0 - 9.6-10.7 HG13 ILE 93 - H ARG 79 far 0 100 0 - 9.9-11.6 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 2.2-3.0 4.1=85, 3525/4.7=47...(16) HB2 LEU 103 - H ARG 79 far 0 96 0 - 9.6-20.2 HG LEU 103 - H ARG 79 far 0 94 0 - 9.9-18.7 Violated in 0 structures by 0.00 A. Peak 7290 from nnoeabs.peaks (1.65, 8.50, 125.64 ppm; 3.88 A): 1 out of 7 assignments used, quality = 1.00: * HB3 ARG 79 + H ARG 79 OK 100 100 100 100 2.9-3.8 4.1=87, 9252/9692=41...(15) HB3 LYS 53 - H ARG 79 far 0 75 0 - 5.7-6.6 HB ILE 76 - H ARG 79 far 0 99 0 - 7.3-7.8 HB3 LEU 6 - H ARG 79 far 0 100 0 - 8.7-9.3 HD3 LYS 68 - H ARG 79 far 0 100 0 - 9.4-11.3 HG2 LYS 68 - H ARG 79 far 0 98 0 - 9.5-10.3 HD2 LYS 68 - H ARG 79 far 0 100 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 7291 from nnoeabs.peaks (1.53, 8.50, 125.64 ppm; 4.48 A increased from 3.78 A): 3 out of 8 assignments used, quality = 1.00: HG3 ARG 79 + H ARG 79 OK 100 100 100 100 2.6-4.6 4.7=90, 3.0/7289=74...(16) HG12 ILE 56 + H ARG 79 OK 97 100 100 98 4.0-4.6 6924/9697=56...(9) * HG2 ARG 79 + H ARG 79 OK 65 100 65 100 3.9-4.8 4.7=90, 3525/7289=79...(16) HD3 LYS 53 - H ARG 79 far 0 94 0 - 5.5-7.4 HG LEU 6 - H ARG 79 far 0 99 0 - 8.1-8.6 HB3 LEU 103 - H ARG 79 far 0 99 0 - 8.2-19.5 HG LEU 57 - H ARG 79 far 0 71 0 - 8.5-9.5 HB2 LEU 3 - H ARG 79 far 0 93 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 7292 from nnoeabs.peaks (1.53, 8.50, 125.64 ppm; 4.48 A increased from 3.78 A): 3 out of 8 assignments used, quality = 1.00: * HG3 ARG 79 + H ARG 79 OK 100 100 100 100 2.6-4.6 4.7=90, 3.0/7289=74...(16) HG12 ILE 56 + H ARG 79 OK 97 100 100 98 4.0-4.6 6924/9697=56...(9) HG2 ARG 79 + H ARG 79 OK 65 100 65 100 3.9-4.8 4.7=90, 3534/7289=79...(16) HD3 LYS 53 - H ARG 79 far 0 95 0 - 5.5-7.4 HG LEU 6 - H ARG 79 far 0 99 0 - 8.1-8.6 HB3 LEU 103 - H ARG 79 far 0 98 0 - 8.2-19.5 HG LEU 57 - H ARG 79 far 0 70 0 - 8.5-9.5 HB2 LEU 3 - H ARG 79 far 0 94 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 7293 from nnoeabs.peaks (3.07, 8.50, 125.64 ppm; 4.29 A increased from 4.04 A): 2 out of 4 assignments used, quality = 0.93: * HD2 ARG 79 + H ARG 79 OK 90 100 90 100 1.9-5.5 3541=75, 3.8/7289=59...(18) HD3 ARG 79 + H ARG 79 OK 30 100 30 100 3.5-5.6 1.8/3541=59, 3.8/7289=59...(18) HB2 PHE 96 - H ARG 79 far 0 82 0 - 7.8-9.5 HB2 TRP 92 - H ARG 79 far 0 79 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 7294 from nnoeabs.peaks (3.07, 8.50, 125.64 ppm; 4.29 A increased from 4.04 A): 2 out of 4 assignments used, quality = 0.93: HD2 ARG 79 + H ARG 79 OK 90 100 90 100 1.9-5.5 3550=75, 3.8/7289=59...(18) * HD3 ARG 79 + H ARG 79 OK 30 100 30 100 3.5-5.6 1.8/3541=59, 3.8/7289=59...(18) HB2 PHE 96 - H ARG 79 far 0 85 0 - 7.8-9.5 HB2 TRP 92 - H ARG 79 far 0 82 0 - 9.9-11.3 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 3.9-4.5 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; 4.34 A increased from 4.09 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 79 + H THR 80 OK 100 100 100 100 3.9-4.5 3.0/7298=88, 4.6=82...(10) H VAL 54 - H THR 80 far 0 99 0 - 7.2-8.4 H ALA 67 - H THR 80 far 0 93 0 - 8.4-8.9 Violated in 2 structures by 0.01 A. Peak 7298 from nnoeabs.peaks (4.71, 8.42, 118.08 ppm; 2.84 A): 1 out of 2 assignments used, quality = 0.85: * HA ARG 79 + H THR 80 OK 85 100 100 85 2.1-2.4 3.6=51, 3.0/7297=25...(9) HA LYS 82 - H THR 80 far 0 99 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 7299 from nnoeabs.peaks (1.60, 8.42, 118.08 ppm; 4.67 A increased from 3.93 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 79 + H THR 80 OK 100 100 100 100 3.8-4.7 4.6=100 HB2 LEU 103 - H THR 80 far 0 96 0 - 9.2-23.8 Violated in 0 structures by 0.00 A. Peak 7300 from nnoeabs.peaks (1.65, 8.42, 118.08 ppm; 4.47 A increased from 3.76 A): 1 out of 7 assignments used, quality = 1.00: * HB3 ARG 79 + H THR 80 OK 100 100 100 100 2.5-4.3 4.6=94, 3.0/7298=90...(12) HD3 LYS 68 - H THR 80 far 0 100 0 - 5.5-7.6 HD2 LYS 68 - H THR 80 far 0 100 0 - 5.8-7.7 HG2 LYS 68 - H THR 80 far 0 98 0 - 6.7-7.1 HB ILE 76 - H THR 80 far 0 99 0 - 8.7-10.1 HB3 LYS 53 - H THR 80 far 0 75 0 - 9.6-10.6 HB3 LEU 6 - H THR 80 far 0 100 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 7301 from nnoeabs.peaks (1.53, 8.42, 118.08 ppm; 4.04 A increased from 3.80 A): 1 out of 6 assignments used, quality = 0.98: HG3 ARG 79 + H THR 80 OK 98 100 100 98 3.7-3.8 3531=69, 4.1/7298=61...(11) ! HG2 ARG 79 - H THR 80 far 10 100 10 - 3.9-5.3 HG12 ILE 56 - H THR 80 far 0 100 0 - 5.1-6.2 HB3 LEU 103 - H THR 80 far 0 99 0 - 8.4-23.3 HD3 LYS 53 - H THR 80 far 0 94 0 - 8.9-10.7 HG LEU 57 - H THR 80 far 0 71 0 - 8.9-9.9 Violated in 0 structures by 0.00 A. Peak 7302 from nnoeabs.peaks (1.53, 8.42, 118.08 ppm; 4.04 A increased from 3.80 A): 1 out of 6 assignments used, quality = 0.98: * HG3 ARG 79 + H THR 80 OK 98 100 100 98 3.7-3.8 3540=69, 4.1/7298=61...(11) HG2 ARG 79 - H THR 80 far 10 100 10 - 3.9-5.3 HG12 ILE 56 - H THR 80 far 0 100 0 - 5.1-6.2 HB3 LEU 103 - H THR 80 far 0 98 0 - 8.4-23.3 HD3 LYS 53 - H THR 80 far 0 95 0 - 8.9-10.7 HG LEU 57 - H THR 80 far 0 70 0 - 8.9-9.9 Violated in 0 structures by 0.00 A. Peak 7303 from nnoeabs.peaks (3.07, 8.42, 118.08 ppm; 5.73 A increased from 4.82 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 79 + H THR 80 OK 100 100 100 100 4.1-5.9 3.0/7302=94, 3.8/7300=81...(11) HD3 ARG 79 + H THR 80 OK 75 100 75 100 4.9-6.2 3.0/7302=94, 3.8/7300=81...(11) Violated in 0 structures by 0.00 A. Peak 7304 from nnoeabs.peaks (3.07, 8.42, 118.08 ppm; 5.73 A increased from 4.82 A): 2 out of 2 assignments used, quality = 1.00: HD2 ARG 79 + H THR 80 OK 100 100 100 100 4.1-5.9 3.0/7302=94, 3.8/7300=81...(11) * HD3 ARG 79 + H THR 80 OK 75 100 75 100 4.9-6.2 3.0/7302=94, 3.8/7300=81...(11) Violated in 0 structures by 0.00 A. Peak 7305 from nnoeabs.peaks (5.33, 8.42, 118.08 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 80 + H THR 80 OK 100 100 100 100 2.9-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 7306 from nnoeabs.peaks (3.68, 8.42, 118.08 ppm; 3.51 A): 1 out of 1 assignment used, quality = 0.98: * HB THR 80 + H THR 80 OK 98 100 100 98 3.0-3.6 3564=79, 2.1/7307=62...(9) Violated in 1 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 3.4-3.7 4.0=79, 2.1/7306=73...(8) HG LEU 55 - H THR 80 far 0 96 0 - 6.6-7.2 QG1 VAL 83 - H THR 80 far 0 77 0 - 8.4-9.1 QG2 VAL 83 - H THR 80 far 0 95 0 - 8.9-9.5 QG2 VAL 5 - H THR 80 far 0 70 0 - 9.0-9.2 Violated in 2 structures by 0.00 A. Peak 7308 from nnoeabs.peaks (8.76, 8.42, 118.08 ppm; 4.86 A increased from 4.57 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 81 + H THR 80 OK 100 100 100 100 4.3-4.6 4.6=100 H LYS 82 - H THR 80 far 0 63 0 - 7.0-7.8 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 4.3-4.6 4.6=100 H GLU 63 - H ARG 81 far 0 73 0 - 9.8-10.4 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...(18) 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 3.3-4.0 3568=100, 2.1/7313=83...(15) Violated in 2 structures by 0.00 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 2.3-3.2 3573=79, 3.2/7311=57...(20) HG LEU 55 - H ARG 81 far 0 96 0 - 4.4-5.6 QG1 VAL 83 - H ARG 81 far 0 77 0 - 4.9-5.6 QG2 VAL 83 - H ARG 81 far 0 95 0 - 5.2-5.8 QG2 VAL 5 - H ARG 81 far 0 70 0 - 7.7-8.5 Violated in 0 structures by 0.00 A. Peak 7314 from nnoeabs.peaks (4.36, 8.76, 122.84 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 81 + H ARG 81 OK 100 100 100 100 2.9-2.9 3.0=100 HA ASP 61 - H ARG 81 far 0 100 0 - 8.7-9.5 Violated in 0 structures by 0.00 A. Peak 7315 from nnoeabs.peaks (0.93, 8.76, 122.84 ppm; 4.02 A increased from 3.57 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ARG 81 + H ARG 81 OK 100 100 100 100 3.5-3.9 4.0=100 HG LEU 55 - H ARG 81 far 0 73 0 - 4.4-5.6 QG2 VAL 83 - H ARG 81 far 0 75 0 - 5.2-5.8 QG2 VAL 5 - H ARG 81 far 0 97 0 - 7.7-8.5 QG1 VAL 32 - H ARG 81 far 0 84 0 - 9.8-10.2 Violated in 0 structures by 0.00 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 2.6-2.8 4.0=88, 12132/11122=33...(17) HG2 LYS 82 - H ARG 81 far 0 100 0 - 6.4-7.0 HB3 LEU 55 - H ARG 81 far 0 77 0 - 6.5-7.5 Violated in 0 structures by 0.00 A. Peak 7317 from nnoeabs.peaks (0.43, 8.76, 122.84 ppm; 4.16 A increased from 3.91 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 55 + H ARG 81 OK 99 99 100 100 3.7-4.4 9280=75, 9258/7311=54...(16) * HG2 ARG 81 + H ARG 81 OK 70 100 70 100 2.8-5.0 2.9/7316=67, 4.9=61...(17) Violated in 0 structures by 0.00 A. Peak 7318 from nnoeabs.peaks (0.74, 8.76, 122.84 ppm; 3.64 A): 1 out of 15 assignments used, quality = 1.00: QD1 LEU 64 + H ARG 81 OK 100 100 100 100 2.7-3.4 10762/7313=57...(19) QG1 VAL 58 - H ARG 81 far 0 93 0 - 4.0-4.5 ! HG3 ARG 81 - H ARG 81 far 0 100 0 - 4.1-4.7 QD1 ILE 56 - H ARG 81 far 0 73 0 - 5.3-5.7 QG2 VAL 78 - H ARG 81 far 0 94 0 - 5.9-6.6 QD1 ILE 8 - H ARG 81 far 0 77 0 - 6.3-6.8 HG13 ILE 56 - H ARG 81 far 0 85 0 - 6.4-6.8 QG1 VAL 5 - H ARG 81 far 0 98 0 - 6.5-7.1 QG1 VAL 54 - H ARG 81 far 0 90 0 - 7.0-7.7 QG1 VAL 78 - H ARG 81 far 0 100 0 - 7.8-8.7 QD1 LEU 6 - H ARG 81 far 0 75 0 - 7.9-8.4 QD1 ILE 93 - H ARG 81 far 0 77 0 - 8.6-9.6 QD2 LEU 14 - H ARG 81 far 0 75 0 - 8.8-9.3 HG13 ILE 93 - H ARG 81 far 0 100 0 - 8.8-9.8 QD2 LEU 42 - H ARG 81 far 0 82 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 7319 from nnoeabs.peaks (1.73, 8.76, 122.84 ppm; 4.22 A): 1 out of 3 assignments used, quality = 0.61: HB ILE 56 + H ARG 81 OK 61 61 100 99 3.6-4.0 2.1/9735=63...(10) ! HD2 ARG 81 - H ARG 81 far 0 100 0 - 4.7-6.3 HB3 LYS 82 - H ARG 81 far 0 59 0 - 6.5-6.8 Violated in 0 structures by 0.00 A. Peak 7322 from nnoeabs.peaks (8.72, 8.72, 124.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 82 + H LYS 82 OK 100 100 - 100 Peak 7324 from nnoeabs.peaks (4.36, 8.72, 124.67 ppm; 2.84 A): 1 out of 2 assignments used, quality = 0.91: * HA ARG 81 + H LYS 82 OK 91 100 100 91 2.2-2.3 3.6=50, 3.0/7325=29...(13) HA ASP 61 - H LYS 82 far 0 100 0 - 6.8-7.6 Violated in 0 structures by 0.00 A. Peak 7325 from nnoeabs.peaks (0.93, 8.72, 124.67 ppm; 3.95 A increased from 3.72 A): 1 out of 3 assignments used, quality = 0.99: * HB2 ARG 81 + H LYS 82 OK 99 100 100 99 2.7-4.0 4.3=79, 3.0/7324=78...(9) QG2 VAL 83 - H LYS 82 far 0 75 0 - 4.9-5.6 HG LEU 55 - H LYS 82 far 0 73 0 - 7.8-8.7 Violated in 1 structures by 0.00 A. Peak 7326 from nnoeabs.peaks (1.06, 8.72, 124.67 ppm; 4.48 A increased from 3.78 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 81 + H LYS 82 OK 100 100 100 100 3.9-4.3 4.3=100 HG2 LYS 82 + H LYS 82 OK 100 100 100 100 4.4-4.5 2.9/7333=87, 2.9/7332=84...(14) Violated in 0 structures by 0.00 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 4.0-5.0 4.8=97, 3.9/7324=81...(8) QD1 LEU 55 - H LYS 82 far 0 99 0 - 6.4-6.9 Violated in 4 structures by 0.05 A. Peak 7328 from nnoeabs.peaks (0.74, 8.72, 124.67 ppm; 3.46 A): 2 out of 9 assignments used, quality = 0.99: QD1 LEU 64 + H LYS 82 OK 99 100 100 99 2.7-3.1 2.1/10939=54...(17) * HG3 ARG 81 + H LYS 82 OK 29 100 30 95 2.5-5.5 3.9/7324=47, 2.9/7325=46...(7) QG1 VAL 58 - H LYS 82 far 0 93 0 - 5.7-6.3 QD1 ILE 8 - H LYS 82 far 0 77 0 - 8.5-9.0 QD1 ILE 56 - H LYS 82 far 0 73 0 - 8.6-8.9 QG2 VAL 78 - H LYS 82 far 0 94 0 - 9.1-9.8 QD2 LEU 14 - H LYS 82 far 0 75 0 - 9.2-9.7 QG1 VAL 5 - H LYS 82 far 0 98 0 - 9.3-9.9 QD1 ILE 93 - H LYS 82 far 0 77 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 7329 from nnoeabs.peaks (1.73, 8.72, 124.67 ppm; 3.35 A): 2 out of 3 assignments used, quality = 0.69: HB3 LYS 82 + H LYS 82 OK 58 59 100 98 2.6-2.9 1.8/7332=71, 4.0=59...(13) * HD2 ARG 81 + H LYS 82 OK 27 100 30 90 1.9-5.3 3580/7324=42...(7) HB ILE 56 - H LYS 82 far 0 61 0 - 7.8-8.0 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 1 assignment used, quality = 1.00: * HD3 ARG 81 + H LYS 82 OK 100 100 100 100 2.5-4.6 3629/7324=79...(10) Violated in 1 structures by 0.00 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 - 8.7-9.3 HA LEU 55 - H LYS 82 far 0 75 0 - 9.3-9.8 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 3 assignments used, quality = 0.99: * HB2 LYS 82 + H LYS 82 OK 99 100 100 99 2.5-2.7 1.8/7333=75, 3648=64...(16) QB ALA 67 - H LYS 82 far 0 100 0 - 7.2-7.6 QB ALA 89 - H LYS 82 far 0 100 0 - 8.3-8.8 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 = 0.98: * HB3 LYS 82 + H LYS 82 OK 98 100 100 98 2.6-2.9 1.8/7332=64, 3659=60...(12) HD2 ARG 81 - H LYS 82 poor 18 59 30 - 1.9-5.3 HB ILE 56 - H LYS 82 far 0 100 0 - 7.8-8.0 HB3 GLU 63 - H LYS 82 far 0 97 0 - 8.2-8.8 Violated in 0 structures by 0.00 A. Peak 7334 from nnoeabs.peaks (1.06, 8.72, 124.67 ppm; 4.48 A increased from 3.78 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 82 + H LYS 82 OK 100 100 100 100 4.4-4.5 2.9/7333=87, 2.9/7332=84...(14) HB3 ARG 81 + H LYS 82 OK 100 100 100 100 3.9-4.3 4.3=100 Violated in 0 structures by 0.00 A. Peak 7335 from nnoeabs.peaks (1.14, 8.72, 124.67 ppm; 4.82 A increased from 4.29 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 82 + H LYS 82 OK 100 100 100 100 4.5-4.6 2.9/7333=93, 2.9/7332=91...(12) Violated in 0 structures by 0.00 A. Peak 7336 from nnoeabs.peaks (1.46, 8.72, 124.67 ppm; 5.29 A increased from 4.45 A): 2 out of 4 assignments used, quality = 1.00: * HD2 LYS 82 + H LYS 82 OK 100 100 100 100 4.9-5.1 3.5/7333=92, 3.5/7332=90...(14) HB3 LEU 64 + H LYS 82 OK 75 75 100 100 4.5-5.1 3.1/10939=87...(9) HG LEU 64 - H LYS 82 far 0 91 0 - 5.8-6.2 HG12 ILE 7 - H LYS 82 far 0 68 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 7337 from nnoeabs.peaks (1.57, 8.72, 124.67 ppm; 6.07 A increased from 5.40 A): 1 out of 5 assignments used, quality = 1.00: * HD3 LYS 82 + H LYS 82 OK 100 100 100 100 6.0-6.1 5.8=100 HG3 ARG 79 - H LYS 82 far 0 75 0 - 7.7-9.8 HG2 ARG 79 - H LYS 82 far 0 73 0 - 8.6-9.6 HB2 ARG 79 - H LYS 82 far 0 70 0 - 9.7-10.3 HG12 ILE 56 - H LYS 82 far 0 68 0 - 10.0-10.4 Violated in 3 structures by 0.00 A. Peak 7340 from nnoeabs.peaks (9.11, 8.72, 124.67 ppm; 4.77 A increased from 4.49 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 83 + H LYS 82 OK 100 100 100 100 4.3-4.6 4.5=100 Violated in 0 structures by 0.00 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 4.3-4.6 4.5=100 H ARG 81 - H VAL 83 far 0 63 0 - 5.8-6.4 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; 4.69 A increased from 4.17 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 82 + H VAL 83 OK 100 100 100 100 4.2-4.5 4.6=100 QB ALA 89 - H VAL 83 far 0 100 0 - 5.9-6.6 QB ALA 67 - H VAL 83 far 0 100 0 - 7.7-8.2 HG LEU 14 - H VAL 83 far 0 100 0 - 7.7-8.3 HG12 ILE 8 - H VAL 83 far 0 92 0 - 8.6-9.3 Violated in 0 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 3.7-4.2 3.0/7343=85, 4.6=82...(11) HD2 ARG 81 - H VAL 83 far 0 59 0 - 5.2-8.7 HB3 GLU 63 - H VAL 83 far 0 97 0 - 6.8-7.2 HB ILE 56 - H VAL 83 far 0 100 0 - 8.6-9.2 Violated in 0 structures by 0.00 A. Peak 7346 from nnoeabs.peaks (1.06, 9.11, 122.38 ppm; 3.67 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 82 + H VAL 83 OK 100 100 100 100 3.2-3.8 1.8/7347=69, 3680=62...(15) HB3 ARG 81 - H VAL 83 far 0 100 0 - 5.4-6.6 Violated in 3 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 2.6-3.8 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; 5.79 A increased from 5.15 A): 2 out of 4 assignments used, quality = 1.00: * HD2 LYS 82 + H VAL 83 OK 100 100 100 100 5.3-5.9 2.9/7346=98, 2.9/7347=97...(11) HB3 LEU 64 + H VAL 83 OK 74 75 100 99 5.8-6.0 9379/9803=90...(7) HG12 ILE 7 - H VAL 83 far 0 68 0 - 6.8-7.5 HG LEU 64 - H VAL 83 far 0 91 0 - 8.3-8.5 Violated in 0 structures by 0.00 A. Peak 7349 from nnoeabs.peaks (1.57, 9.11, 122.38 ppm; 5.66 A increased from 5.33 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 82 + H VAL 83 OK 100 100 100 100 5.0-5.7 3713=98, 2.9/7346=97...(10) Violated in 1 structures by 0.00 A. Peak 7352 from nnoeabs.peaks (4.80, 9.11, 122.38 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 83 + H VAL 83 OK 100 100 100 100 2.9-2.9 3.0=100 HA ASN 60 - H VAL 83 far 0 96 0 - 6.1-7.1 Violated in 0 structures by 0.00 A. Peak 7353 from nnoeabs.peaks (2.11, 9.11, 122.38 ppm; 3.92 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 83 + H VAL 83 OK 100 100 100 100 3.7-3.9 4.0=97, 2.1/7354=86...(7) HB3 GLU 88 - H VAL 83 far 0 68 0 - 5.9-6.5 HG2 GLU 88 - H VAL 83 far 0 79 0 - 6.1-8.1 HB2 LEU 64 - H VAL 83 far 0 100 0 - 7.2-7.6 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 4 assignments used, quality = 0.99: * QG2 VAL 83 + H VAL 83 OK 99 100 100 99 1.9-2.3 3748=88, 2.1/3754=46...(12) HB2 ARG 81 - H VAL 83 far 0 75 0 - 5.1-7.0 QG2 THR 80 - H VAL 83 far 0 95 0 - 6.5-7.4 HG LEU 55 - H VAL 83 far 0 100 0 - 8.3-9.2 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 2.8-3.3 3754=73, 2.1/3748=72...(11) QG2 THR 80 - H VAL 83 far 0 77 0 - 6.5-7.4 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 - 9.4-10.1 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 0 structures by 0.00 A. Peak 7359 from nnoeabs.peaks (4.80, 9.20, 113.18 ppm; 2.84 A): 1 out of 2 assignments used, quality = 0.90: * HA VAL 83 + H THR 84 OK 90 100 100 90 2.2-2.2 3.6=51, 3.0/7360=33...(9) HA ASN 60 - H THR 84 far 0 96 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 7360 from nnoeabs.peaks (2.11, 9.20, 113.18 ppm; 3.61 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 83 + H THR 84 OK 100 100 100 100 2.9-3.1 3747=69, 3.0/7359=68...(13) HG2 GLU 88 - H THR 84 far 8 79 10 - 3.2-5.1 HB3 GLU 88 - H THR 84 far 0 68 0 - 4.4-5.0 HB2 PRO 86 - H THR 84 far 0 100 0 - 8.8-9.0 HB3 PRO 86 - H THR 84 far 0 99 0 - 9.3-9.4 Violated in 0 structures by 0.00 A. Peak 7361 from nnoeabs.peaks (0.96, 9.20, 113.18 ppm; 4.26 A increased from 3.78 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 83 + H THR 84 OK 100 100 100 100 3.8-4.1 4.0=100 HB2 ARG 81 - H THR 84 far 0 75 0 - 7.6-9.6 Violated in 0 structures by 0.00 A. Peak 7362 from nnoeabs.peaks (1.01, 9.20, 113.18 ppm; 4.01 A): 1 out of 1 assignment used, quality = 0.99: * QG1 VAL 83 + H THR 84 OK 99 100 100 99 3.5-4.0 4.0=99 Violated in 0 structures by 0.00 A. Peak 7363 from nnoeabs.peaks (4.58, 9.20, 113.18 ppm; 3.67 A): 1 out of 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 2 assignments used, quality = 1.00: * HB THR 84 + H THR 84 OK 100 100 100 100 3.8-3.8 4.0=100 HA SER 9 - H THR 84 far 0 99 0 - 9.9-10.5 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 2.5-2.9 3770=77, 3763/3.0=62...(7) QB ALA 18 - H THR 84 far 0 96 0 - 9.0-9.4 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 = 0.97: * H SER 85 + H THR 84 OK 97 100 100 97 2.4-2.8 7368=72, 4.3/7365=27...(12) 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 2.4-2.8 7366=100, 7365/4.3=35...(13) 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 2.8-3.1 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 4.4-4.5 4.7=100 HA SER 9 - H SER 85 far 0 99 0 - 8.6-9.3 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 4.2-4.4 4.3=100 QB ALA 18 - H SER 85 far 0 96 0 - 7.4-7.9 Violated in 0 structures by 0.00 A. Peak 7372 from nnoeabs.peaks (5.14, 7.69, 115.56 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 85 + H SER 85 OK 100 100 100 100 2.8-2.9 3.0=100 HA ILE 7 - H SER 85 far 0 100 0 - 9.6-10.0 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 2.8-3.2 4.0=100 HA ALA 89 - H SER 85 far 0 100 0 - 6.4-6.7 HB3 SER 9 - H SER 85 far 0 88 0 - 7.0-8.6 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 3.7-4.1 4.0=100 HB2 SER 59 - H SER 85 far 0 73 0 - 5.9-7.3 HA ASP 87 - H SER 85 far 0 71 0 - 7.5-7.6 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 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 7377 from nnoeabs.peaks (2.12, 8.13, 115.38 ppm; 3.43 A): 1 out of 5 assignments used, quality = 0.93: HB3 PRO 86 + H ASP 87 OK 93 96 100 97 3.1-3.3 3.9=66, 2.3/7380=45...(14) HG2 GLU 88 - H ASP 87 far 0 90 0 - 4.0-6.5 ! HB2 PRO 86 - H ASP 87 far 0 100 0 - 4.0-4.1 HB VAL 83 - H ASP 87 far 0 100 0 - 6.3-6.7 QE MET 21 - H ASP 87 far 0 91 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 7378 from nnoeabs.peaks (2.10, 8.13, 115.38 ppm; 3.48 A): 1 out of 7 assignments used, quality = 0.98: * HB3 PRO 86 + H ASP 87 OK 98 100 100 98 3.1-3.3 3.9=69, 2.3/7380=47...(14) HG2 GLU 88 - H ASP 87 far 0 63 0 - 4.0-6.5 HB2 PRO 86 - H ASP 87 far 0 96 0 - 4.0-4.1 HB3 GLU 88 - H ASP 87 far 0 82 0 - 6.3-6.4 HB VAL 83 - H ASP 87 far 0 99 0 - 6.3-6.7 QE MET 21 - H ASP 87 far 0 100 0 - 9.6-10.0 HB2 GLU 16 - H ASP 87 far 0 79 0 - 9.9-10.6 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 2.2-3.8 2.3/7377=96, 1.8/7380=91...(11) HD3 LYS 90 + H ASP 87 OK 95 100 95 100 3.7-5.4 10315/2.9=67...(21) HB3 ARG 91 - H ASP 87 far 0 99 0 - 7.1-7.5 HD2 LYS 13 - H ASP 87 far 0 99 0 - 8.3-11.1 HD3 LYS 13 - H ASP 87 far 0 99 0 - 8.7-11.3 HD3 LYS 20 - H ASP 87 far 0 94 0 - 9.5-12.6 HD2 LYS 20 - H ASP 87 far 0 96 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 7380 from nnoeabs.peaks (2.19, 8.13, 115.38 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 86 + H ASP 87 OK 100 100 100 100 2.1-3.8 2.3/7377=86, 3846=64...(11) 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: * HD2 PRO 86 + H ASP 87 OK 99 100 100 99 2.6-2.7 3.0/7377=59, 2.3/7380=52...(13) HD3 PRO 86 + H ASP 87 OK 99 100 100 99 3.8-3.8 3.0/7377=59, 2.3/7380=52...(13) 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: HD2 PRO 86 + H ASP 87 OK 99 100 100 99 2.6-2.7 3.0/7377=59, 2.3/7380=52...(13) * HD3 PRO 86 + H ASP 87 OK 99 100 100 99 3.8-3.8 3.0/7377=59, 2.3/7380=52...(13) 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 2.8-2.8 2.9=100 HB3 SER 85 + H ASP 87 OK 63 71 100 88 2.5-3.5 1.8/9846=35, 3.0/9898=31...(12) 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 = 0.85: * HB2 ASP 87 + H ASP 87 OK 78 100 100 78 2.2-2.7 3857=52, 4.6/7386=22...(10) HB3 ASP 87 + H ASP 87 OK 32 100 40 79 2.6-3.6 1.8/3857=40, 4.0=40...(9) HD2 ARG 91 - H ASP 87 far 0 99 0 - 8.3-9.0 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 = 0.85: HB2 ASP 87 + H ASP 87 OK 78 100 100 78 2.2-2.7 3857=52, 4.6/7386=22...(10) * HB3 ASP 87 + H ASP 87 OK 32 100 40 79 2.6-3.6 1.8/3857=40, 4.0=40...(9) HD2 ARG 91 - H ASP 87 far 0 99 0 - 8.3-9.0 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 2.7-2.8 7388=98, 6372/3.5=38...(21) H LEU 14 - H ASP 87 far 0 93 0 - 8.1-8.5 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 2.7-2.8 7386=100, 3.5/6372=38...(21) H TRP 92 - H GLU 88 far 0 100 0 - 5.9-6.3 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 3.5-3.5 3.6=100 HB3 SER 85 + H GLU 88 OK 62 71 90 96 3.1-4.3 1.8/8599=63, 3.0/8600=31...(13) Violated in 0 structures by 0.00 A. Peak 7390 from nnoeabs.peaks (2.50, 7.57, 120.01 ppm; 4.02 A increased from 3.22 A): 2 out of 5 assignments used, quality = 1.00: * HB2 ASP 87 + H GLU 88 OK 97 100 100 97 2.6-4.0 4.6=66, 4.0/7386=53...(14) HB3 ASP 87 + H GLU 88 OK 97 100 100 97 2.8-4.0 4.6=66, 4.0/7386=53...(13) HG3 GLU 23 - H LYS 24 far 5 99 5 - 4.3-4.8 HD2 ARG 91 - H GLU 88 far 0 99 0 - 5.9-6.9 HG3 GLU 95 - H GLU 88 far 0 81 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 7391 from nnoeabs.peaks (2.50, 7.57, 120.01 ppm; 4.02 A increased from 3.22 A): 2 out of 5 assignments used, quality = 1.00: HB2 ASP 87 + H GLU 88 OK 97 100 100 97 2.6-4.0 4.6=66, 4.0/7386=53...(14) * HB3 ASP 87 + H GLU 88 OK 97 100 100 97 2.8-4.0 4.6=66, 4.0/7386=53...(13) HG3 GLU 23 - H LYS 24 far 5 99 5 - 4.3-4.8 HD2 ARG 91 - H GLU 88 far 0 99 0 - 5.9-6.9 HG3 GLU 95 - H GLU 88 far 0 81 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 7392 from nnoeabs.peaks (3.66, 7.57, 120.01 ppm; 3.40 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 88 + H GLU 88 OK 100 100 100 100 2.8-2.9 3.0=100 HA LYS 90 - H GLU 88 far 0 99 0 - 6.8-7.1 HA LEU 14 - H GLU 88 far 0 88 0 - 6.9-7.4 HA LYS 90 - H LYS 24 far 0 98 0 - 8.0-8.3 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 7 assignments used, quality = 1.00: * HB2 GLU 88 + H GLU 88 OK 100 100 100 100 2.3-2.7 3.9=69, 1.8/3879=61...(14) HB2 LYS 90 - H GLU 88 far 0 100 0 - 5.1-5.5 HB3 LYS 90 - H GLU 88 far 0 85 0 - 6.8-7.2 HB ILE 93 - H LYS 24 far 0 99 0 - 7.0-7.4 HB3 LYS 90 - H LYS 24 far 0 84 0 - 8.5-8.7 HB ILE 93 - H GLU 88 far 0 100 0 - 9.2-9.5 HB3 LEU 57 - H GLU 88 far 0 96 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 7394 from nnoeabs.peaks (2.08, 7.57, 120.01 ppm; 3.62 A increased from 2.89 A): 2 out of 8 assignments used, quality = 1.00: * HB3 GLU 88 + H GLU 88 OK 100 100 100 100 3.6-3.6 3879=87, 1.8/7393=78...(12) HB2 GLU 23 + H LYS 24 OK 43 99 45 97 3.8-4.0 1.8/1034=63, 1026=56...(7) QE MET 21 - H LYS 24 far 9 90 10 - 3.9-4.2 HB VAL 83 - H GLU 88 far 0 68 0 - 4.3-4.6 HB3 PRO 86 - H GLU 88 far 0 82 0 - 5.0-5.4 HB2 MET 21 - H LYS 24 far 0 81 0 - 5.5-5.7 QE MET 21 - H GLU 88 far 0 91 0 - 9.0-9.6 HB2 MET 21 - H GLU 88 far 0 82 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 7395 from nnoeabs.peaks (2.14, 7.57, 120.01 ppm; 3.05 A): 2 out of 5 assignments used, quality = 0.97: HB3 GLU 23 + H LYS 24 OK 86 97 100 89 2.7-2.9 1034=44, 6366/6376=38...(8) * HG2 GLU 88 + H GLU 88 OK 78 100 80 98 1.9-4.0 3886=49, 3.0/7393=42...(15) HB VAL 83 - H GLU 88 far 0 79 0 - 4.3-4.6 HB3 PRO 86 - H GLU 88 far 0 63 0 - 5.0-5.4 HB2 PRO 86 - H GLU 88 far 0 90 0 - 5.6-6.0 Violated in 0 structures by 0.00 A. Peak 7396 from nnoeabs.peaks (1.94, 7.57, 120.01 ppm; 2.76 A): 2 out of 10 assignments used, quality = 0.92: HB2 LYS 24 + H LYS 24 OK 90 92 100 98 2.1-2.5 1061=70, 2.9/6386=25...(25) * HG3 GLU 88 + H GLU 88 OK 23 100 25 93 2.2-3.7 1.8/3886=35, 3.0/7393=34...(13) HB3 LYS 24 - H LYS 24 far 14 92 15 - 2.9-3.6 HB3 LYS 20 - H LYS 24 far 0 99 0 - 5.3-6.4 HB2 GLU 17 - H GLU 88 far 0 100 0 - 6.5-7.3 HB2 LYS 94 - H LYS 24 far 0 90 0 - 7.4-9.8 HB3 ARG 19 - H LYS 24 far 0 96 0 - 7.7-8.4 HB2 GLU 17 - H LYS 24 far 0 100 0 - 9.6-10.4 HB3 LYS 13 - H GLU 88 far 0 79 0 - 9.7-10.5 HB2 LYS 94 - H GLU 88 far 0 91 0 - 9.9-12.0 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 2.6-2.8 7400=89, 7402/7393=35...(20) HE ARG 19 - H LYS 24 far 0 81 0 - 8.2-12.1 HE3 TRP 92 - H GLU 88 far 0 100 0 - 9.7-10.2 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 2 assignments used, quality = 1.00: * H LYS 90 + H GLU 88 OK 100 100 100 100 4.1-4.5 7408/7397=94, 7411=82...(12) H GLU 17 - H GLU 88 far 0 95 0 - 9.2-9.8 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 2.6-2.8 7397=100, 7393/7402=39...(20) H LEU 14 - H ALA 89 far 0 93 0 - 8.9-9.2 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 3.6-3.6 3.6=100 HA LYS 90 - H ALA 89 far 0 99 0 - 5.4-5.5 HA LEU 14 - H ALA 89 far 0 88 0 - 6.3-6.7 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 2.2-2.5 4.3=62, 1.8/3885=58...(18) HB2 LYS 90 - H ALA 89 far 0 100 0 - 5.0-5.2 HB3 LYS 90 - H ALA 89 far 0 85 0 - 6.4-6.5 HB3 LEU 57 - H ALA 89 far 0 96 0 - 6.8-7.2 HB ILE 93 - H ALA 89 far 0 100 0 - 7.3-7.7 Violated in 0 structures by 0.00 A. Peak 7403 from nnoeabs.peaks (2.08, 7.42, 118.87 ppm; 3.80 A increased from 3.38 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLU 88 + H ALA 89 OK 100 100 100 100 3.1-3.7 1.8/7402=79, 3885=75...(16) HB VAL 83 + H ALA 89 OK 67 68 100 100 3.4-3.7 2.1/9780=64, 2.1/9794=62...(18) HB3 PRO 86 - H ALA 89 far 0 82 0 - 5.3-5.5 HB2 MET 21 - H ALA 89 far 0 82 0 - 7.7-8.2 QE MET 21 - H ALA 89 far 0 91 0 - 7.9-8.5 Violated in 0 structures by 0.00 A. Peak 7404 from nnoeabs.peaks (2.14, 7.42, 118.87 ppm; 3.99 A): 2 out of 5 assignments used, quality = 0.93: HB VAL 83 + H ALA 89 OK 79 79 100 100 3.4-3.7 2.1/9780=70, 2.1/9794=68...(18) * HG2 GLU 88 + H ALA 89 OK 65 100 65 100 3.8-4.9 3.0/7402=65...(16) HB3 PRO 86 - H ALA 89 far 0 63 0 - 5.3-5.5 HB2 PRO 86 - H ALA 89 far 0 90 0 - 5.5-5.8 HB3 GLU 95 - H ALA 89 far 0 95 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 7405 from nnoeabs.peaks (1.94, 7.42, 118.87 ppm; 4.74 A increased from 4.46 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 88 + H ALA 89 OK 100 100 100 100 3.8-4.7 3.0/7402=83, 3.0/3885=74...(17) HB2 GLU 17 - H ALA 89 far 0 100 0 - 5.8-6.9 HB2 LYS 94 - H ALA 89 far 0 91 0 - 8.9-11.2 HB3 LYS 13 - H ALA 89 far 0 79 0 - 9.9-10.5 Violated in 0 structures by 0.00 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 2.7-2.8 3.0=100 HB2 SER 85 - H ALA 89 far 0 100 0 - 4.8-6.0 HA ARG 91 - H ALA 89 far 0 98 0 - 6.9-7.2 HB3 SER 9 - H ALA 89 far 0 85 0 - 8.3-9.9 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 - 4.8-5.3 HG2 LYS 94 - H ALA 89 far 0 100 0 - 8.3-11.3 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 = 0.99: * H LYS 90 + H ALA 89 OK 99 100 100 99 2.9-3.0 7413=94, 7415/7407=55...(15) H GLU 17 - H ALA 89 far 0 95 0 - 8.3-8.7 H ILE 15 - H ALA 89 far 0 81 0 - 8.8-9.2 H GLU 16 - H ALA 89 far 0 77 0 - 9.9-10.3 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 - 4.1-4.6 HZ2 TRP 92 - H ALA 89 far 0 91 0 - 7.9-8.6 HE3 TRP 92 - H ALA 89 far 0 59 0 - 8.4-8.6 Violated in 20 structures by 1.40 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 4.1-4.5 7398=100, 7397/7408=97...(12) H LEU 14 - H LYS 90 far 0 93 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 7412 from nnoeabs.peaks (3.66, 8.05, 114.83 ppm; 3.53 A): 1 out of 3 assignments used, quality = 0.99: HA LYS 90 + H LYS 90 OK 99 99 100 100 2.8-2.8 3.0=100 ! HA GLU 88 - H LYS 90 far 0 100 0 - 4.5-4.7 HA LEU 14 - H LYS 90 far 0 88 0 - 6.6-7.1 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 2.9-3.0 7408=100, 7407/7415=57...(15) HE3 TRP 92 - H LYS 90 far 0 100 0 - 8.7-9.0 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 3.6-3.6 3.6=100 HA ARG 91 - H LYS 90 far 0 98 0 - 5.3-5.5 HB2 SER 85 - H LYS 90 far 0 100 0 - 6.9-8.3 HA LYS 94 - H LYS 90 far 0 68 0 - 8.4-9.0 HB3 SER 9 - H LYS 90 far 0 85 0 - 9.9-11.4 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 2.3-2.5 3910=81, 7407/7408=51...(15) HG LEU 14 - H LYS 90 far 0 99 0 - 5.7-6.5 HG2 LYS 94 - H LYS 90 far 0 100 0 - 6.4-9.4 QB ALA 25 - H LYS 90 far 0 100 0 - 8.5-9.1 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 2.8-2.8 3.0=100 HA GLU 88 - H LYS 90 far 0 99 0 - 4.5-4.7 HA LEU 14 - H LYS 90 far 0 98 0 - 6.6-7.1 Violated in 0 structures by 0.00 A. Peak 7417 from nnoeabs.peaks (1.81, 8.05, 114.83 ppm; 3.08 A): 1 out of 5 assignments used, quality = 0.98: * HB2 LYS 90 + H LYS 90 OK 98 100 100 98 2.5-2.7 2.8/7419=45, 4.1=43...(14) HB3 LYS 90 - H LYS 90 far 0 90 0 - 3.6-3.6 HB2 GLU 88 - H LYS 90 far 0 100 0 - 4.9-5.2 HB ILE 93 - H LYS 90 far 0 99 0 - 5.2-5.5 HB3 LEU 57 - H LYS 90 far 0 98 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 7418 from nnoeabs.peaks (1.83, 8.05, 114.83 ppm; 3.17 A): 1 out of 6 assignments used, quality = 0.88: HB2 LYS 90 + H LYS 90 OK 88 90 100 99 2.5-2.7 2.8/7419=48, 4.1=47...(13) ! HB3 LYS 90 - H LYS 90 far 0 100 0 - 3.6-3.6 HB2 GLU 88 - H LYS 90 far 0 85 0 - 4.9-5.2 HB ILE 93 - H LYS 90 far 0 75 0 - 5.2-5.5 HB3 LEU 57 - H LYS 90 far 0 99 0 - 7.9-8.3 HB VAL 5 - H LYS 90 far 0 82 0 - 9.9-10.7 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 2.0-2.4 2.8/7417=61, 1.8/7420=56...(18) Violated in 0 structures by 0.00 A. Peak 7420 from nnoeabs.peaks (1.58, 8.05, 114.83 ppm; 3.94 A increased from 3.50 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 90 + H LYS 90 OK 100 100 100 100 3.5-3.8 3957=94, 1.8/7419=88...(20) HD3 LYS 94 - H LYS 90 far 0 97 0 - 6.3-10.2 HG2 ARG 19 - H LYS 90 far 0 100 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 7421 from nnoeabs.peaks (1.74, 8.05, 114.83 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 90 + H LYS 90 OK 100 100 100 100 2.8-3.4 2.9/7419=73, 3968=72...(15) HG3 ARG 19 - H LYS 90 far 0 91 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 7422 from nnoeabs.peaks (1.70, 8.05, 114.83 ppm; 4.06 A): 1 out of 9 assignments used, quality = 1.00: * HD3 LYS 90 + H LYS 90 OK 100 100 100 100 3.2-4.1 2.9/7419=72...(20) HB3 ARG 91 - H LYS 90 far 0 97 0 - 4.8-5.0 HG2 PRO 86 - H LYS 90 far 0 100 0 - 6.2-7.4 HG3 LYS 20 - H LYS 90 far 0 90 0 - 8.0-10.9 HD3 LYS 20 - H LYS 90 far 0 90 0 - 8.0-10.9 HD2 LYS 20 - H LYS 90 far 0 93 0 - 8.5-10.9 HD3 LYS 24 - H LYS 90 far 0 100 0 - 9.4-12.5 HG12 ILE 15 - H LYS 90 far 0 100 0 - 9.8-11.3 HD2 LYS 24 - H LYS 90 far 0 100 0 - 10.0-13.0 Violated in 1 structures by 0.00 A. Peak 7423 from nnoeabs.peaks (2.81, 8.05, 114.83 ppm; 5.63 A increased from 5.29 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 90 + H LYS 90 OK 100 100 100 100 4.1-5.4 3.0/7422=93, 3.0/7421=93...(15) 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 8 assignments used, quality = 1.00: HG2 MET 21 + H LYS 90 OK 100 100 100 100 4.2-4.8 3920/3.0=84...(14) * HE3 LYS 90 + H LYS 90 OK 65 100 65 100 4.8-5.4 4005/7419=81...(15) HE2 LYS 20 - H LYS 90 far 0 87 0 - 7.4-11.9 HE3 LYS 94 - H LYS 90 far 0 85 0 - 7.6-11.5 HE2 LYS 94 - H LYS 90 far 0 96 0 - 7.7-11.5 HE3 LYS 20 - H LYS 90 far 0 88 0 - 8.4-11.9 HE3 LYS 24 - H LYS 90 far 0 84 0 - 9.4-13.5 HE2 LYS 24 - H LYS 90 far 0 84 0 - 10.0-14.0 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 2.7-3.0 7431=100, 7433/7417=40...(14) HE3 TRP 92 - H LYS 90 far 0 59 0 - 8.7-9.0 HZ2 TRP 92 - H LYS 90 far 0 91 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 7426 from nnoeabs.peaks (8.14, 8.05, 114.83 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 92 + H LYS 90 OK 100 100 100 100 3.9-4.1 7453=100, 7448/7431=76...(10) H ASP 87 - H LYS 90 far 0 100 0 - 5.0-5.2 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; 3.71 A increased from 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=100 * HA GLU 88 + H ARG 91 OK 98 100 100 98 3.4-3.8 3869=67, 4034/7443=49...(11) HA LEU 14 - H ARG 91 far 0 88 0 - 9.3-9.7 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 - 4.1-4.6 HE3 TRP 92 - H ARG 91 far 0 100 0 - 7.2-7.7 Violated in 20 structures by 1.56 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 - 7.3-7.6 HB2 SER 85 - H ARG 91 far 0 100 0 - 7.6-9.1 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 = 0.99: * H LYS 90 + H ARG 91 OK 99 100 100 99 2.7-3.0 7425=87, 7417/7433=36...(14) H GLU 17 - H ARG 91 far 0 95 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 7432 from nnoeabs.peaks (3.67, 7.47, 119.03 ppm; 3.72 A increased from 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=100 HA GLU 88 + H ARG 91 OK 97 99 100 98 3.4-3.8 3869=67, 4034/7443=49...(11) HA LEU 14 - H ARG 91 far 0 98 0 - 9.3-9.7 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 = 0.97: * HB2 LYS 90 + H ARG 91 OK 96 100 100 96 2.2-2.7 7417/7431=49, 4.1=47...(11) HB3 LYS 90 + H ARG 91 OK 34 90 40 94 3.4-3.8 4.1=47, 4.1/7431=35...(12) HB ILE 93 - H ARG 91 far 0 99 0 - 5.3-5.6 HB2 GLU 88 - H ARG 91 far 0 100 0 - 5.3-5.8 HB3 LEU 57 - H ARG 91 far 0 98 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 7434 from nnoeabs.peaks (1.83, 7.47, 119.03 ppm; 3.36 A): 2 out of 5 assignments used, quality = 0.94: HB2 LYS 90 + H ARG 91 OK 87 90 100 97 2.2-2.7 4.1=54, 7418/7431=52...(11) * HB3 LYS 90 + H ARG 91 OK 58 100 60 96 3.4-3.8 4.1=54, 4.1/7431=39...(12) HB ILE 93 - H ARG 91 far 0 75 0 - 5.3-5.6 HB2 GLU 88 - H ARG 91 far 0 85 0 - 5.3-5.8 HB3 LEU 57 - H ARG 91 far 0 99 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 7435 from nnoeabs.peaks (1.29, 7.47, 119.03 ppm; 4.55 A increased from 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 90 + H ARG 91 OK 100 100 100 100 4.2-4.5 7419/7431=80...(11) Violated in 0 structures by 0.00 A. Peak 7436 from nnoeabs.peaks (1.58, 7.47, 119.03 ppm; 5.36 A increased from 4.29 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 90 + H ARG 91 OK 100 100 100 100 4.9-5.2 1.8/7435=95...(13) HD3 LYS 94 + H ARG 91 OK 55 97 60 95 4.1-8.1 6.3/10980=41...(24) Violated in 0 structures by 0.00 A. Peak 7437 from nnoeabs.peaks (1.74, 7.47, 119.03 ppm; 4.31 A increased from 3.83 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 90 + H ARG 91 OK 100 100 100 100 3.8-4.1 3978=68, 7421/7431=63...(8) HD2 ARG 81 - H ARG 91 far 0 97 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 7438 from nnoeabs.peaks (1.70, 7.47, 119.03 ppm; 3.24 A): 1 out of 6 assignments used, quality = 0.97: HB3 ARG 91 + H ARG 91 OK 97 97 100 100 2.3-2.5 4035=82, 1.8/7442=76...(18) ! HD3 LYS 90 - H ARG 91 far 0 100 0 - 4.6-5.4 HG2 PRO 86 - H ARG 91 far 0 100 0 - 8.0-9.5 HD2 ARG 81 - H ARG 91 far 0 79 0 - 9.4-11.3 HG3 LYS 20 - H ARG 91 far 0 90 0 - 9.5-12.7 HD3 LYS 24 - H ARG 91 far 0 100 0 - 9.7-13.2 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 - 7.3-7.6 HB2 SER 85 - H ARG 91 far 0 96 0 - 7.6-9.1 Violated in 0 structures by 0.00 A. Peak 7442 from nnoeabs.peaks (1.49, 7.47, 119.03 ppm; 3.03 A): 1 out of 4 assignments used, quality = 0.98: * HB2 ARG 91 + H ARG 91 OK 98 100 100 98 2.5-2.8 1.8/7443=68, 4025=55...(17) HG3 ARG 91 - H ARG 91 far 0 70 0 - 4.3-4.5 HG LEU 57 - H ARG 91 far 0 96 0 - 7.3-8.0 HG2 LYS 20 - H ARG 91 far 0 79 0 - 9.6-13.4 Violated in 0 structures by 0.00 A. Peak 7443 from nnoeabs.peaks (1.68, 7.47, 119.03 ppm; 3.04 A): 1 out of 5 assignments used, quality = 0.99: * HB3 ARG 91 + H ARG 91 OK 99 100 100 99 2.3-2.5 4035=71, 1.8/7442=68...(18) HD3 LYS 90 - H ARG 91 far 0 97 0 - 4.6-5.4 HG2 PRO 86 - H ARG 91 far 0 99 0 - 8.0-9.5 HG3 LYS 20 - H ARG 91 far 0 99 0 - 9.5-12.7 HD3 LYS 24 - H ARG 91 far 0 97 0 - 9.7-13.2 Violated in 0 structures by 0.00 A. Peak 7444 from nnoeabs.peaks (1.08, 7.47, 119.03 ppm; 4.66 A increased from 4.39 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 91 + H ARG 91 OK 100 100 100 100 4.4-4.6 4.8=94, 2.8/7442=93...(17) HB3 ARG 81 - H ARG 91 far 0 92 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 7445 from nnoeabs.peaks (1.45, 7.47, 119.03 ppm; 3.08 A): 1 out of 5 assignments used, quality = 0.68: HB2 ARG 91 + H ARG 91 OK 68 70 100 98 2.5-2.8 1.8/7443=69, 3.9=49...(18) ! HG3 ARG 91 - H ARG 91 far 0 100 0 - 4.3-4.5 QB ALA 22 - H ARG 91 far 0 95 0 - 8.8-9.2 HG12 ILE 7 - H ARG 91 far 0 81 0 - 9.5-10.2 HG2 LYS 20 - H ARG 91 far 0 100 0 - 9.6-13.4 Violated in 0 structures by 0.00 A. Peak 7446 from nnoeabs.peaks (2.49, 7.47, 119.03 ppm; 5.20 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 91 + H ARG 91 OK 100 100 100 100 4.1-5.0 4062=100, 3.5/7442=93...(17) HB3 ASP 87 + H ARG 91 OK 45 99 50 91 5.2-6.1 3.0/9963=78...(7) HB2 ASP 87 - H ARG 91 far 0 99 0 - 5.9-6.7 HG3 GLU 95 - H ARG 91 far 0 59 0 - 6.1-8.0 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 4.8-5.1 4071=100, 3.5/7442=96...(16) 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 2.5-2.8 7455=95, 7458/7443=44...(17) H ASP 87 - H ARG 91 far 0 100 0 - 6.1-6.5 Violated in 0 structures by 0.00 A. Peak 7449 from nnoeabs.peaks (8.36, 7.47, 119.03 ppm; 4.87 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 93 + H ARG 91 OK 100 100 100 100 3.9-4.5 7472/7448=83...(14) H GLU 95 - H ARG 91 far 0 100 0 - 5.8-6.2 Violated in 0 structures by 0.00 A. Peak 7450 from nnoeabs.peaks (8.14, 8.14, 118.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TRP 92 + H TRP 92 OK 100 100 - 100 Peak 7451 from nnoeabs.peaks (3.66, 8.14, 118.10 ppm; 4.50 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 88 + H TRP 92 OK 99 100 100 99 4.0-4.4 3869/7448=64...(11) HA LYS 90 + H TRP 92 OK 99 99 100 100 4.0-4.4 3.6/7448=75, 3.0/7453=69...(9) 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 4 assignments used, quality = 1.00: * HA ALA 89 + H TRP 92 OK 98 100 100 98 3.3-3.6 3904=46, 3.6/7453=42...(13) 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 - 6.6-7.0 HB2 SER 85 - H TRP 92 far 0 100 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 7453 from nnoeabs.peaks (8.05, 8.14, 118.10 ppm; 4.24 A increased from 3.57 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 90 + H TRP 92 OK 100 100 100 100 3.9-4.1 7426=96, 7431/7448=74...(10) Violated in 0 structures by 0.00 A. Peak 7454 from nnoeabs.peaks (3.67, 8.14, 118.10 ppm; 4.41 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 90 + H TRP 92 OK 100 100 100 100 4.0-4.4 3.6/7448=73, 3.0/7453=66...(9) HA GLU 88 + H TRP 92 OK 98 99 100 99 4.0-4.4 3869/7448=61...(11) 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 2.5-2.8 7448=100, 7443/7458=46...(17) HE3 TRP 92 - H TRP 92 far 0 59 0 - 4.8-5.2 HZ2 TRP 92 - H TRP 92 far 0 91 0 - 6.8-7.3 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 4 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 98 3.3-3.6 3904=45, 3.6/7453=42...(13) HA LYS 94 - H TRP 92 far 0 90 0 - 6.6-7.0 HB2 SER 85 - H TRP 92 far 0 96 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 7457 from nnoeabs.peaks (1.49, 8.14, 118.10 ppm; 4.27 A increased from 3.42 A): 2 out of 4 assignments used, quality = 1.00: * HB2 ARG 91 + H TRP 92 OK 100 100 100 100 4.0-4.1 4.3=98, 1.8/7458=90...(9) HG3 ARG 91 + H TRP 92 OK 59 70 85 99 3.7-4.6 2.8/7458=74, 1.8/7459=66...(9) HG LEU 57 - H TRP 92 far 0 96 0 - 5.5-6.0 HB ILE 7 - H TRP 92 far 0 65 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 7458 from nnoeabs.peaks (1.68, 8.14, 118.10 ppm; 3.69 A): 1 out of 4 assignments used, quality = 0.99: * HB3 ARG 91 + H TRP 92 OK 99 100 100 99 2.8-3.0 4.3=63, 7443/7448=62...(11) HD3 LYS 90 - H TRP 92 far 0 97 0 - 6.9-7.4 HB3 ARG 79 - H TRP 92 far 0 81 0 - 9.5-11.8 HG2 PRO 86 - H TRP 92 far 0 99 0 - 9.8-11.2 Violated in 0 structures by 0.00 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 3.7-4.8 2.8/7458=84, 4052=83...(10) HB3 ARG 81 - H TRP 92 far 0 92 0 - 7.1-7.9 Violated in 4 structures by 0.01 A. Peak 7460 from nnoeabs.peaks (1.45, 8.14, 118.10 ppm; 4.15 A increased from 3.49 A): 2 out of 4 assignments used, quality = 0.92: * HG3 ARG 91 + H TRP 92 OK 75 100 75 100 3.7-4.6 4061=72, 2.8/7458=71...(9) HB2 ARG 91 + H TRP 92 OK 69 70 100 100 4.0-4.1 4.3=90, 1.8/7458=87...(9) QB ALA 22 - H TRP 92 far 0 95 0 - 8.2-8.6 HG12 ILE 7 - H TRP 92 far 0 81 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 7463 from nnoeabs.peaks (4.82, 8.14, 118.10 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * HA TRP 92 + H TRP 92 OK 100 100 100 100 2.8-2.9 2.9=100 HA VAL 83 - H TRP 92 far 0 90 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 7464 from nnoeabs.peaks (3.10, 8.14, 118.10 ppm; 3.43 A): 1 out of 2 assignments used, quality = 0.97: * HB2 TRP 92 + H TRP 92 OK 97 100 100 97 2.2-2.3 1.8/7465=63, 4.0=61...(11) HB2 PHE 96 - H TRP 92 far 0 100 0 - 6.5-7.4 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 3.5-3.6 1.8/7464=82, 4.0=79...(8) 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 3.2-3.4 3.9/7464=58, 3.9/7465=54...(13) Violated in 0 structures by 0.00 A. Peak 7467 from nnoeabs.peaks (7.43, 8.14, 118.10 ppm; 3.95 A): 1 out of 3 assignments used, quality = 0.59: H ARG 91 + H TRP 92 OK 59 59 100 99 2.5-2.8 4.6=62, 3.9/7458=51...(17) H ALA 89 - H TRP 92 far 0 100 0 - 4.6-4.8 ! HE3 TRP 92 - H TRP 92 far 0 100 0 - 4.8-5.2 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 5.1-5.5 2.6/7466=99, 9967=99...(7) 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 2.3-2.6 7482=79, 7484/7464=40...(13) H GLU 95 - H TRP 92 far 0 100 0 - 4.5-4.9 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 3.8-4.3 7498/7472=60, 7503=54...(9) Violated in 4 structures by 0.01 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 - 6.3-7.1 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): 2 out of 3 assignments used, quality = 1.00: * HA ALA 89 + H ILE 93 OK 100 100 100 100 3.8-4.2 2.1/9939=77...(9) HA ARG 91 + H ILE 93 OK 96 98 100 99 4.3-4.8 3.6/7472=80, 3.0/7449=68...(10) HA LYS 94 - H ILE 93 poor 20 68 30 97 5.1-5.4 3.0/7498=87...(8) 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 3.3-3.7 3922=100, 4129/7493=66...(12) HA GLU 88 - H ILE 93 far 0 99 0 - 6.4-6.8 Violated in 0 structures by 0.00 A. Peak 7480 from nnoeabs.peaks (7.47, 8.36, 120.59 ppm; 5.51 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 91 + H ILE 93 OK 100 100 100 100 3.9-4.5 7449=100, 7448/7472=93...(14) HE3 TRP 92 + H ILE 93 OK 56 59 100 95 5.4-5.7 4.2/7484=74, 5.9/7472=59...(4) HZ2 TRP 92 - H ILE 93 far 0 91 0 - 8.7-8.9 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 3 assignments used, quality = 1.00: * HA ARG 91 + H ILE 93 OK 99 100 100 99 4.3-4.8 3.6/7472=80, 3.0/7449=68...(10) HA ALA 89 + H ILE 93 OK 97 98 100 100 3.8-4.2 2.1/9939=77...(9) HA LYS 94 + H ILE 93 OK 26 90 30 98 5.1-5.4 3.0/7498=87...(9) 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 2.3-2.6 7472=100, 7464/7484=47...(13) H ASP 87 - H ILE 93 far 0 100 0 - 9.5-9.7 H GLY 100 - H ILE 93 far 0 100 0 - 9.9-11.0 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 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 7484 from nnoeabs.peaks (3.10, 8.36, 120.59 ppm; 4.27 A): 1 out of 3 assignments used, quality = 0.99: * HB2 TRP 92 + H ILE 93 OK 99 100 100 99 2.5-3.0 4.5=85, 7464/7472=67...(10) HB2 PHE 96 - H ILE 93 far 0 100 0 - 4.7-5.5 HD3 ARG 79 - H ILE 93 far 0 82 0 - 9.5-12.3 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 3.2-3.7 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 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 7493 from nnoeabs.peaks (1.80, 8.36, 120.59 ppm; 3.47 A): 1 out of 5 assignments used, quality = 0.99: * HB ILE 93 + H ILE 93 OK 99 100 100 99 2.4-2.6 4130=82, 3.0/7495=48...(15) HB3 LYS 90 - H ILE 93 far 0 75 0 - 5.2-5.7 HB2 LYS 90 - H ILE 93 far 0 99 0 - 5.3-5.8 HB3 LEU 57 - H ILE 93 far 0 91 0 - 6.8-7.6 HB2 GLU 88 - H ILE 93 far 0 100 0 - 7.2-7.8 Violated in 0 structures by 0.00 A. Peak 7494 from nnoeabs.peaks (0.75, 8.36, 120.59 ppm; 3.35 A): 2 out of 8 assignments used, quality = 1.00: HG13 ILE 93 + H ILE 93 OK 98 100 100 98 2.0-2.6 1.8/7495=57, 3.0/7493=50...(13) QD1 ILE 93 + H ILE 93 OK 92 93 100 99 2.6-3.6 2.1/7495=53, 3.2/7493=47...(19) ! QG2 ILE 93 - H ILE 93 far 0 100 0 - 3.8-3.8 QG1 VAL 5 - H ILE 93 far 0 87 0 - 4.7-5.5 QD1 LEU 27 - H ILE 93 far 0 94 0 - 5.9-6.5 HG3 ARG 81 - H ILE 93 far 0 99 0 - 7.5-9.0 QD2 LEU 27 - H ILE 93 far 0 91 0 - 8.5-9.1 QG1 VAL 54 - H ILE 93 far 0 99 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 7495 from nnoeabs.peaks (2.04, 8.36, 120.59 ppm; 3.85 A increased from 3.62 A): 1 out of 7 assignments used, quality = 1.00: * HG12 ILE 93 + H ILE 93 OK 100 100 100 100 3.4-4.0 3.0/7493=65, 4146=63...(13) HB3 LYS 94 - H ILE 93 far 0 96 0 - 4.4-5.5 HB2 MET 21 - H ILE 93 far 0 98 0 - 5.5-6.3 HB3 GLU 17 - H ILE 93 far 0 75 0 - 8.6-9.2 HB2 GLU 98 - H ILE 93 far 0 100 0 - 8.7-9.8 HB2 GLU 99 - H ILE 93 far 0 100 0 - 9.2-12.2 HB3 GLU 99 - H ILE 93 far 0 100 0 - 10.0-11.6 Violated in 1 structures by 0.01 A. Peak 7496 from nnoeabs.peaks (0.74, 8.36, 120.59 ppm; 3.35 A): 2 out of 9 assignments used, quality = 1.00: * HG13 ILE 93 + H ILE 93 OK 98 100 100 98 2.0-2.6 1.8/7495=57, 3.0/7493=50...(13) QD1 ILE 93 + H ILE 93 OK 83 84 100 99 2.6-3.6 2.1/7495=53, 3.2/7493=47...(19) QG2 ILE 93 - H ILE 93 far 0 100 0 - 3.8-3.8 QG1 VAL 5 - H ILE 93 far 0 95 0 - 4.7-5.5 QD1 LEU 27 - H ILE 93 far 0 85 0 - 5.9-6.5 HG3 ARG 81 - H ILE 93 far 0 100 0 - 7.5-9.0 QD2 LEU 14 - H ILE 93 far 0 68 0 - 8.4-9.1 QD2 LEU 27 - H ILE 93 far 0 97 0 - 8.5-9.1 QG1 VAL 54 - H ILE 93 far 0 94 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 7497 from nnoeabs.peaks (0.77, 8.36, 120.59 ppm; 3.46 A): 2 out of 8 assignments used, quality = 1.00: * QD1 ILE 93 + H ILE 93 OK 100 100 100 100 2.6-3.6 2.1/7495=57, 4162=57...(19) HG13 ILE 93 + H ILE 93 OK 83 84 100 99 2.0-2.6 1.8/7495=61, 3.0/7493=53...(13) QG2 ILE 93 - H ILE 93 far 5 93 5 - 3.8-3.8 QD2 LEU 57 - H ILE 93 far 0 84 0 - 4.7-5.8 QD1 LEU 27 - H ILE 93 far 0 100 0 - 5.9-6.5 HG3 ARG 81 - H ILE 93 far 0 77 0 - 7.5-9.0 QG2 ILE 7 - H ILE 93 far 0 79 0 - 8.7-9.2 QG1 VAL 54 - H ILE 93 far 0 99 0 - 9.5-10.4 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 2.5-2.8 7507/7493=54, 4.6=52...(18) H GLU 23 - H ILE 93 far 0 98 0 - 9.3-9.9 H LEU 27 - H ILE 93 far 0 88 0 - 10.0-10.8 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 3.9-4.4 10979=68, 4129/7507=62...(13) HA GLU 88 - H LYS 94 far 0 99 0 - 7.8-8.1 Violated in 0 structures by 0.00 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 95 100 100 95 3.5-3.8 4021=49, 3.6/7473=41...(17) HA LYS 94 + H LYS 94 OK 90 90 100 100 2.8-2.9 3.0=100 HA ALA 89 - H LYS 94 far 0 98 0 - 6.3-6.7 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 3.8-4.3 7473=100, 7472/7498=83...(9) H GLY 100 - H LYS 94 far 0 100 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 7504 from nnoeabs.peaks (4.82, 8.26, 121.69 ppm; 5.48 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 92 + H LYS 94 OK 100 100 100 100 4.2-4.8 2.9/7473=90, 3.6/7498=89...(8) 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 2.5-2.7 7528=78, 4207/7514=35...(17) * H ILE 93 + H LYS 94 OK 97 100 100 97 2.5-2.8 7498=58, 7493/7507=37...(16) 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 2.4-2.8 4137=68, 2.1/7508=61...(16) HB3 LYS 90 - H LYS 94 far 0 75 0 - 4.9-5.4 HB2 LYS 90 - H LYS 94 far 0 99 0 - 5.5-6.1 HB2 GLU 88 - H LYS 94 far 0 100 0 - 9.3-9.8 HB3 LEU 57 - H LYS 94 far 0 91 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 7508 from nnoeabs.peaks (0.75, 8.26, 121.69 ppm; 3.69 A increased from 3.47 A): 1 out of 7 assignments used, quality = 1.00: * QG2 ILE 93 + H LYS 94 OK 100 100 100 100 3.2-3.6 2.1/7507=73, 4.3=63...(17) QD1 ILE 93 - H LYS 94 far 9 93 10 - 4.0-4.6 HG13 ILE 93 - H LYS 94 far 0 100 0 - 4.2-4.5 QD1 LEU 27 - H LYS 94 far 0 94 0 - 5.4-6.0 QG1 VAL 5 - H LYS 94 far 0 87 0 - 6.3-6.8 QD2 LEU 27 - H LYS 94 far 0 91 0 - 7.8-8.4 HG3 ARG 81 - H LYS 94 far 0 99 0 - 9.2-11.3 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 = 0.94: HB3 LYS 94 + H LYS 94 OK 94 96 100 98 2.1-2.9 4197=64, 1.8/7513=53...(13) ! HG12 ILE 93 - H LYS 94 far 0 100 0 - 5.0-5.2 HB2 MET 21 - H LYS 94 far 0 98 0 - 5.5-6.3 HB2 GLU 98 - H LYS 94 far 0 100 0 - 6.7-7.8 HB2 GLU 99 - H LYS 94 far 0 100 0 - 8.4-11.4 HB3 GLU 98 - H LYS 94 far 0 100 0 - 8.5-9.4 HB3 GLU 99 - H LYS 94 far 0 100 0 - 9.1-10.7 HB3 GLU 17 - H LYS 94 far 0 75 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 7510 from nnoeabs.peaks (0.74, 8.26, 121.69 ppm; 3.69 A increased from 3.47 A): 1 out of 7 assignments used, quality = 0.99: QG2 ILE 93 + H LYS 94 OK 99 100 100 100 3.2-3.6 2.1/7507=73, 4.3=63...(17) QD1 ILE 93 - H LYS 94 far 8 84 10 - 4.0-4.6 ! HG13 ILE 93 - H LYS 94 far 0 100 0 - 4.2-4.5 QD1 LEU 27 - H LYS 94 far 0 85 0 - 5.4-6.0 QG1 VAL 5 - H LYS 94 far 0 95 0 - 6.3-6.8 QD2 LEU 27 - H LYS 94 far 0 97 0 - 7.8-8.4 HG3 ARG 81 - H LYS 94 far 0 100 0 - 9.2-11.3 Violated in 0 structures by 0.00 A. Peak 7511 from nnoeabs.peaks (0.77, 8.26, 121.69 ppm; 3.70 A): 1 out of 6 assignments used, quality = 0.93: QG2 ILE 93 + H LYS 94 OK 93 93 100 100 3.2-3.6 2.1/7507=73, 4.3=64...(17) ! QD1 ILE 93 - H LYS 94 far 10 100 10 - 4.0-4.6 HG13 ILE 93 - H LYS 94 far 0 84 0 - 4.2-4.5 QD1 LEU 27 - H LYS 94 far 0 100 0 - 5.4-6.0 QD2 LEU 57 - H LYS 94 far 0 84 0 - 6.7-7.8 HG3 ARG 81 - H LYS 94 far 0 77 0 - 9.2-11.3 Violated in 0 structures by 0.00 A. Peak 7512 from nnoeabs.peaks (3.87, 8.26, 121.69 ppm; 3.30 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 94 + H LYS 94 OK 100 100 100 100 2.8-2.9 3.0=100 HA ARG 91 - H LYS 94 far 13 90 15 - 3.5-3.8 HA ALA 22 - H LYS 94 far 0 59 0 - 6.1-6.8 HA ALA 89 - H LYS 94 far 0 68 0 - 6.3-6.7 Violated in 0 structures by 0.00 A. Peak 7513 from nnoeabs.peaks (1.92, 8.26, 121.69 ppm; 3.69 A increased from 3.11 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 94 + H LYS 94 OK 100 100 100 100 2.2-3.6 4185=91, 1.8/7514=87...(12) HB2 GLU 17 - H LYS 94 far 0 93 0 - 8.6-9.8 HB3 LYS 20 - H LYS 94 far 0 98 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 7514 from nnoeabs.peaks (2.02, 8.26, 121.69 ppm; 3.12 A): 1 out of 8 assignments used, quality = 0.98: * HB3 LYS 94 + H LYS 94 OK 98 100 100 98 2.1-2.9 4197=67, 1.8/7513=53...(12) HG12 ILE 93 - H LYS 94 far 0 96 0 - 5.0-5.2 HB2 MET 21 - H LYS 94 far 0 81 0 - 5.5-6.3 HB2 GLU 98 - H LYS 94 far 0 90 0 - 6.7-7.8 HB2 GLU 99 - H LYS 94 far 0 91 0 - 8.4-11.4 HB3 GLU 98 - H LYS 94 far 0 91 0 - 8.5-9.4 HB3 GLU 99 - H LYS 94 far 0 96 0 - 9.1-10.7 HB3 GLU 17 - H LYS 94 far 0 96 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 7515 from nnoeabs.peaks (1.34, 8.26, 121.69 ppm; 4.38 A increased from 4.13 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 94 + H LYS 94 OK 100 100 100 100 2.3-4.3 2.9/7514=85, 2.9/7513=76...(19) QB ALA 25 - H LYS 94 far 5 100 5 - 4.7-5.2 QB ALA 89 - H LYS 94 far 0 100 0 - 6.1-6.4 HB3 LEU 27 - H LYS 94 far 0 100 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 7516 from nnoeabs.peaks (1.38, 8.26, 121.69 ppm; 4.46 A increased from 4.20 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 94 + H LYS 94 OK 100 100 100 100 1.9-4.4 2.9/7514=87, 4219=79...(16) HB3 LEU 27 - H LYS 94 far 0 63 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 7517 from nnoeabs.peaks (1.62, 8.26, 121.69 ppm; 5.09 A increased from 4.53 A): 2 out of 4 assignments used, quality = 0.99: * HD2 LYS 94 + H LYS 94 OK 95 100 95 100 3.9-5.5 3.5/7514=91, 3.5/7513=83...(15) HD3 LYS 94 + H LYS 94 OK 71 84 85 100 3.7-5.8 3.5/7514=91, 3.5/7513=83...(15) HG LEU 27 - H LYS 94 far 0 84 0 - 7.8-8.6 HG2 LYS 24 - H LYS 94 far 0 61 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 7518 from nnoeabs.peaks (1.60, 8.26, 121.69 ppm; 5.02 A increased from 4.46 A): 2 out of 5 assignments used, quality = 0.97: * HD3 LYS 94 + H LYS 94 OK 85 100 85 100 3.7-5.8 3.5/7514=90, 3.5/7513=82...(15) HD2 LYS 94 + H LYS 94 OK 80 84 95 100 3.9-5.5 3.5/7514=90, 3.5/7513=82...(13) HG3 LYS 90 - H LYS 94 far 0 97 0 - 6.5-7.1 HG LEU 27 - H LYS 94 far 0 100 0 - 7.8-8.6 HG2 LYS 24 - H LYS 94 far 0 98 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 7519 from nnoeabs.peaks (2.92, 8.26, 121.69 ppm; 5.35 A increased from 4.76 A): 3 out of 4 assignments used, quality = 0.97: HG2 MET 21 + H LYS 94 OK 92 92 100 100 4.3-5.2 8534=89, 3.4/8536=86...(10) * HE2 LYS 94 + H LYS 94 OK 55 100 55 100 5.0-7.2 4.8/7514=77, 3.9/7515=73...(12) HE3 LYS 94 + H LYS 94 OK 30 99 30 100 4.7-6.6 4.8/7514=77, 3.9/7515=73...(12) HE3 LYS 90 - H LYS 94 far 0 96 0 - 7.5-9.7 Violated in 0 structures by 0.00 A. Peak 7520 from nnoeabs.peaks (2.91, 8.26, 121.69 ppm; 5.35 A increased from 4.76 A): 3 out of 4 assignments used, quality = 0.93: HG2 MET 21 + H LYS 94 OK 79 79 100 100 4.3-5.2 3.4/8536=86, 8534=72...(10) HE2 LYS 94 + H LYS 94 OK 55 99 55 100 5.0-7.2 4.8/7514=77, 3.9/7515=73...(12) * HE3 LYS 94 + H LYS 94 OK 30 100 30 100 4.7-6.6 4.8/7514=77, 3.9/7515=73...(12) HE3 LYS 90 - H LYS 94 far 0 85 0 - 7.5-9.7 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 2.5-2.7 7528=78, 4207/7514=35...(17) H ILE 93 + H LYS 94 OK 97 100 100 97 2.5-2.8 7498=58, 7493/7507=37...(16) Violated in 0 structures by 0.00 A. Peak 7522 from nnoeabs.peaks (8.21, 8.26, 121.69 ppm; 4.02 A increased from 3.22 A): 1 out of 3 assignments used, quality = 0.99: * H PHE 96 + H LYS 94 OK 99 100 100 99 3.7-4.0 7550/7528=62...(11) H SER 97 - H LYS 94 far 0 100 0 - 4.4-5.2 H LEU 27 - H LYS 94 far 0 79 0 - 9.3-10.1 Violated in 0 structures by 0.00 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 5 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 78 100 100 78 3.6-4.2 4021/7528=40...(9) HA ALA 89 - H GLU 95 far 0 98 0 - 7.4-8.0 HA2 GLY 101 - H GLU 95 far 0 90 0 - 9.4-13.4 HA2 GLY 100 - H GLU 95 far 0 90 0 - 9.7-11.1 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 = 0.98: * HA TRP 92 + H GLU 95 OK 98 100 100 98 3.4-3.8 7546/7543=53, 4091=50...(7) 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 4.3-5.0 3.6/7528=94...(8) 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 1 assignment used, quality = 0.99: * H LYS 94 + H GLU 95 OK 99 100 100 99 2.5-2.7 7521=51, 7514/4207=42...(17) 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 6 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 63 90 100 70 3.6-4.2 4021/7528=30...(9) HA ALA 89 - H GLU 95 far 0 68 0 - 7.4-8.0 HA ALA 22 - H GLU 95 far 0 59 0 - 8.1-9.1 HA2 GLY 101 - H GLU 95 far 0 100 0 - 9.4-13.4 HA2 GLY 100 - H GLU 95 far 0 100 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 7530 from nnoeabs.peaks (1.92, 8.36, 118.50 ppm; 4.00 A increased from 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 94 + H GLU 95 OK 100 100 100 100 2.4-4.2 4195=95, 1.8/4207=77...(10) Violated in 2 structures by 0.01 A. Peak 7531 from nnoeabs.peaks (2.02, 8.36, 118.50 ppm; 4.04 A increased from 3.40 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LYS 94 + H GLU 95 OK 100 100 100 100 3.0-3.9 4207=100, 1.8/7530=77...(11) HB2 GLU 98 - H GLU 95 far 0 90 0 - 4.9-6.0 HB2 GLU 99 - H GLU 95 far 0 91 0 - 6.4-9.2 HG12 ILE 93 - H GLU 95 far 0 96 0 - 6.5-7.4 HB3 GLU 98 - H GLU 95 far 0 91 0 - 6.5-7.7 HB3 GLU 99 - H GLU 95 far 0 96 0 - 6.7-8.6 HB2 MET 21 - H GLU 95 far 0 81 0 - 8.1-9.0 Violated in 0 structures by 0.00 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 2.1-3.1 2.9/4207=70, 4.9=70...(12) QB ALA 25 - H GLU 95 far 0 100 0 - 5.8-6.2 QB ALA 89 - H GLU 95 far 0 100 0 - 7.5-8.0 HB3 LEU 27 - H GLU 95 far 0 100 0 - 9.5-11.0 Violated in 0 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 2.3-3.7 4.9=85, 2.9/4207=77...(13) HB3 LEU 27 - H GLU 95 far 0 63 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 7534 from nnoeabs.peaks (1.62, 8.36, 118.50 ppm; 5.07 A increased from 4.77 A): 2 out of 6 assignments used, quality = 0.99: * HD2 LYS 94 + H GLU 95 OK 95 100 95 100 4.6-5.5 3.0/7532=80, 3.5/4207=80...(16) HD3 LYS 94 + H GLU 95 OK 84 84 100 100 4.3-5.2 3.0/7532=80, 3.5/4207=80...(14) HG LEU 27 - H GLU 95 far 0 84 0 - 8.4-9.6 HB3 ARG 79 - H GLU 95 far 0 77 0 - 9.3-11.8 HB2 LEU 103 - H GLU 95 far 0 59 0 - 9.6-20.3 HB2 ARG 79 - H GLU 95 far 0 87 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 7535 from nnoeabs.peaks (1.60, 8.36, 118.50 ppm; 5.31 A increased from 4.72 A): 2 out of 7 assignments used, quality = 1.00: * HD3 LYS 94 + H GLU 95 OK 100 100 100 100 4.3-5.2 3.0/7532=85, 3.5/4207=84...(14) HD2 LYS 94 + H GLU 95 OK 84 84 100 100 4.6-5.5 3.0/7532=85, 3.5/4207=84...(16) HG LEU 103 - H GLU 95 far 0 96 0 - 7.8-20.2 HG LEU 27 - H GLU 95 far 0 100 0 - 8.4-9.6 HG3 LYS 90 - H GLU 95 far 0 97 0 - 8.8-9.4 HB2 LEU 103 - H GLU 95 far 0 98 0 - 9.6-20.3 HB2 ARG 79 - H GLU 95 far 0 100 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 7538 from nnoeabs.peaks (4.02, 8.36, 118.50 ppm; 3.38 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 95 + H GLU 95 OK 100 100 100 100 2.8-2.9 3.0=100 HB3 SER 97 - H GLU 95 far 0 59 0 - 5.5-7.1 Violated in 0 structures by 0.00 A. Peak 7539 from nnoeabs.peaks (2.20, 8.36, 118.50 ppm; 3.62 A increased from 3.22 A): 1 out of 3 assignments used, quality = 0.99: * HB2 GLU 95 + H GLU 95 OK 99 100 100 99 2.3-3.6 4.0=73, 2.9/4307=58...(17) HG2 GLU 99 - H GLU 95 far 0 95 0 - 6.1-8.2 HG2 GLU 98 - H GLU 95 far 0 99 0 - 6.6-7.9 Violated in 0 structures by 0.00 A. Peak 7540 from nnoeabs.peaks (2.16, 8.36, 118.50 ppm; 3.60 A increased from 3.20 A): 1 out of 1 assignment used, quality = 0.99: * HB3 GLU 95 + H GLU 95 OK 99 100 100 99 2.2-3.6 4.0=71, 2.9/4307=57...(14) Violated in 0 structures by 0.00 A. Peak 7541 from nnoeabs.peaks (2.27, 8.36, 118.50 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 95 + H GLU 95 OK 100 100 100 100 2.4-3.8 4300=100, 1.8/4307=81...(15) Violated in 0 structures by 0.00 A. Peak 7542 from nnoeabs.peaks (2.52, 8.36, 118.50 ppm; 3.61 A increased from 3.39 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 95 + H GLU 95 OK 100 100 100 100 2.2-3.6 4307=100, 1.8/4300=68...(17) HD2 ARG 91 - H GLU 95 far 0 59 0 - 5.9-7.5 Violated in 1 structures by 0.00 A. Peak 7543 from nnoeabs.peaks (8.21, 8.36, 118.50 ppm; 3.30 A): 1 out of 2 assignments used, quality = 0.99: * H PHE 96 + H GLU 95 OK 99 100 100 99 2.3-2.7 7550=81, 7552/7539=34...(12) H SER 97 - H GLU 95 far 0 100 0 - 3.8-4.6 Violated in 0 structures by 0.00 A. Peak 7544 from nnoeabs.peaks (8.22, 8.36, 118.50 ppm; 3.30 A): 1 out of 2 assignments used, quality = 0.99: H PHE 96 + H GLU 95 OK 99 100 100 99 2.3-2.7 7550=81, 7552/7539=34...(12) ! H SER 97 - H GLU 95 far 0 100 0 - 3.8-4.6 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 1 assignment used, quality = 0.96: * HA TRP 92 + H PHE 96 OK 96 100 100 96 3.8-4.3 7525/7543=62...(6) Violated in 0 structures by 0.00 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 3.3-3.8 4127/7557=54...(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 = 0.65: H LEU 103 + H GLU 104 OK 65 81 100 79 1.9-2.8 3.0/4473=37, 7654=30...(8) ! H LYS 94 - H PHE 96 far 0 100 0 - 3.7-4.0 H LEU 103 - H PHE 96 far 0 88 0 - 8.4-15.3 H LEU 27 - H PHE 96 far 0 88 0 - 9.7-10.6 Violated in 0 structures by 0.00 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 3.9-4.4 3.6/7543=85, 3.0/7522=83...(7) HB2 SER 102 + H GLU 104 OK 52 74 85 84 2.3-5.8 4.5/7548=76...(4) HA3 GLY 101 - H GLU 104 poor 15 75 20 - 3.3-8.4 HA2 GLY 101 - H GLU 104 poor 6 96 30 21 4.0-8.6 11029/7548=12...(3) HA ARG 91 - H PHE 96 far 0 90 0 - 6.0-6.6 HA2 GLY 100 - H GLU 104 far 0 96 0 - 6.6-11.2 HA2 GLY 101 - H PHE 96 far 0 100 0 - 7.0-11.3 HA ALA 22 - H PHE 96 far 0 59 0 - 7.6-8.4 HA2 GLY 100 - H PHE 96 far 0 100 0 - 7.7-9.3 HA ALA 89 - H PHE 96 far 0 68 0 - 7.9-8.3 HA3 GLY 101 - H PHE 96 far 0 82 0 - 8.3-10.0 HB2 SER 102 - H PHE 96 far 0 81 0 - 9.3-14.7 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 = 1.00: * H GLU 95 + H PHE 96 OK 100 100 100 100 2.3-2.7 7543=100, 7528/7522=42...(12) H ILE 93 - H PHE 96 far 0 100 0 - 4.5-4.8 H TYR 4 - H PHE 96 far 0 100 0 - 8.9-9.9 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 2 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 far 3 59 5 - 4.6-6.0 Violated in 0 structures by 0.00 A. Peak 7552 from nnoeabs.peaks (2.20, 8.21, 120.37 ppm; 4.09 A increased from 3.63 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 95 + H PHE 96 OK 100 100 100 100 2.9-4.0 4291=75, 1.8/4299=69...(8) HG2 GLU 99 - H PHE 96 far 5 95 5 - 4.3-7.0 HG2 GLU 99 - H GLU 104 far 0 89 0 - 6.2-15.0 HG2 GLU 98 - H PHE 96 far 0 99 0 - 6.8-7.9 HG2 MET 1 - H GLU 104 far 0 95 0 - 7.9-14.1 Violated in 0 structures by 0.00 A. Peak 7553 from nnoeabs.peaks (2.16, 8.21, 120.37 ppm; 4.08 A increased from 3.63 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLU 95 + H PHE 96 OK 100 100 100 100 2.9-4.1 4299=82, 1.8/4291=65...(8) HG2 GLU 104 + H GLU 104 OK 79 93 85 100 2.0-4.7 4535=86, 3.0/7664=70...(7) HB3 GLU 95 - H GLU 104 far 0 96 0 - 9.1-18.0 Violated in 0 structures by 0.00 A. Peak 7554 from nnoeabs.peaks (2.27, 8.21, 120.37 ppm; 5.21 A increased from 4.90 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 95 + H PHE 96 OK 100 100 100 100 2.5-5.2 4302/7552=90...(8) HD3 ARG 81 - H PHE 96 far 0 63 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 7555 from nnoeabs.peaks (2.52, 8.21, 120.37 ppm; 5.41 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 95 + H PHE 96 OK 100 100 100 100 2.4-5.2 4307/7543=92...(9) HD2 ARG 91 - H PHE 96 far 0 59 0 - 7.5-9.6 Violated in 0 structures by 0.00 A. Peak 7556 from nnoeabs.peaks (4.51, 8.21, 120.37 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 96 + H PHE 96 OK 100 100 100 100 2.8-2.9 3.0=100 HA PHE 96 - H GLU 104 far 0 96 0 - 7.8-14.7 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 9 assignments used, quality = 0.98: * HB2 PHE 96 + H PHE 96 OK 98 100 100 98 2.3-2.7 1.8/7558=70, 4.1=54...(12) HD3 ARG 79 - H GLU 104 far 4 79 5 - 3.3-17.8 HD2 ARG 79 - H GLU 104 far 0 75 0 - 4.6-17.1 HB3 HIS 105 - H GLU 104 far 0 63 0 - 4.6-7.6 HB2 HIS 105 - H GLU 104 far 0 77 0 - 5.2-7.3 HB2 TRP 92 - H PHE 96 far 0 100 0 - 5.7-6.1 HD3 ARG 79 - H PHE 96 far 0 85 0 - 7.3-9.8 HD2 ARG 79 - H PHE 96 far 0 82 0 - 8.8-10.6 HB3 ASN 26 - H GLU 104 far 0 67 0 - 9.8-22.7 Violated in 0 structures by 0.00 A. Peak 7558 from nnoeabs.peaks (3.47, 8.21, 120.37 ppm; 3.33 A): 1 out of 2 assignments used, quality = 0.98: * HB3 PHE 96 + H PHE 96 OK 98 100 100 98 2.3-3.0 1.8/7557=71, 4.1=55...(11) HB3 PHE 96 - H GLU 104 far 0 96 0 - 9.2-16.5 Violated in 0 structures by 0.00 A. Peak 7559 from nnoeabs.peaks (7.03, 8.21, 120.37 ppm; 4.36 A increased from 4.11 A): 1 out of 7 assignments used, quality = 1.00: * QD PHE 96 + H PHE 96 OK 100 100 100 100 4.1-4.2 4.5=91, 2.4/7557=89...(12) HZ3 TRP 92 - H PHE 96 far 0 71 0 - 6.4-7.0 QD PHE 96 - H GLU 104 far 0 96 0 - 6.9-13.5 HE ARG 91 - H PHE 96 far 0 68 0 - 7.3-9.8 HZ PHE 96 - H PHE 96 far 0 73 0 - 7.8-7.9 HZ3 TRP 92 - H GLU 104 far 0 65 0 - 8.0-20.6 HZ PHE 96 - H GLU 104 far 0 67 0 - 8.9-14.2 Violated in 0 structures by 0.00 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 1 assignment used, quality = 1.00: * H GLU 98 + H PHE 96 OK 100 100 100 100 3.8-4.7 7584/4.6=84, 7585/3.0=84...(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 = 0.99: * HA ILE 93 + H SER 97 OK 99 100 100 99 4.0-4.6 4127/7571=64...(11) Violated in 1 structures by 0.00 A. Peak 7566 from nnoeabs.peaks (3.87, 8.22, 111.97 ppm; 4.10 A): 1 out of 8 assignments used, quality = 0.98: * HA LYS 94 + H SER 97 OK 98 100 100 98 3.2-4.0 4349/4350=50...(8) HA3 GLY 101 - H SER 97 far 0 82 0 - 6.2-9.4 HA2 GLY 100 - H SER 97 far 0 100 0 - 6.3-7.7 HA ALA 22 - H SER 97 far 0 59 0 - 6.6-7.5 HA2 GLY 101 - H SER 97 far 0 100 0 - 6.7-10.3 HA ARG 91 - H SER 97 far 0 90 0 - 7.5-8.2 HB2 SER 102 - H SER 97 far 0 81 0 - 9.4-14.4 HA ALA 89 - H SER 97 far 0 68 0 - 9.6-10.2 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 = 0.98: * H GLU 95 + H SER 97 OK 98 100 100 98 3.8-4.6 3.6/7566=67, 7544/4.6=62...(8) H ILE 93 - H SER 97 far 0 100 0 - 5.9-6.4 H TYR 4 - H SER 97 far 0 100 0 - 8.0-8.9 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 = 0.81: HB3 SER 97 + H SER 97 OK 59 59 100 100 2.4-3.6 4.1=97, 1.8/4350=85...(12) * HA GLU 95 + H SER 97 OK 54 100 60 90 3.9-4.8 3.0/7567=48, 4280=37...(9) 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 3.4-3.6 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 = 0.98: * HB2 PHE 96 + H SER 97 OK 98 100 100 98 2.3-3.1 4.2=65, 2.4/7573=50...(10) HB2 TRP 92 - H SER 97 far 0 100 0 - 7.5-8.3 HD3 ARG 79 - H SER 97 far 0 85 0 - 7.9-10.9 HB3 ASN 26 - H SER 97 far 0 73 0 - 8.9-10.9 HD2 ARG 79 - H SER 97 far 0 82 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 7572 from nnoeabs.peaks (3.47, 8.22, 111.97 ppm; 4.27 A increased from 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 96 + H SER 97 OK 100 100 100 100 3.7-4.2 4.2=100 Violated in 0 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 3.0-4.2 4.5=86, 2.4/7571=81...(13) HZ PHE 96 - H SER 97 far 0 73 0 - 6.8-7.9 HZ3 TRP 92 - H SER 97 far 0 71 0 - 8.6-9.2 HE ARG 91 - H SER 97 far 0 68 0 - 9.3-11.6 Violated in 0 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 - 6.6-7.5 HB3 SER 102 - H SER 97 far 0 100 0 - 8.8-13.4 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 = 0.98: * HB2 SER 97 + H SER 97 OK 97 100 100 97 2.2-3.2 4350=66, 1.8/4356=58...(9) HB3 SER 97 + H SER 97 OK 38 68 60 94 2.4-3.6 1.8/4350=56, 4.1=48...(10) Violated in 0 structures by 0.00 A. Peak 7578 from nnoeabs.peaks (3.98, 8.22, 111.97 ppm; 3.17 A): 2 out of 3 assignments used, quality = 0.85: HB2 SER 97 + H SER 97 OK 64 68 100 94 2.2-3.2 1.8/4356=58, 4.1=48...(9) * HB3 SER 97 + H SER 97 OK 59 100 60 98 2.4-3.6 4356=70, 1.8/4350=56...(11) HA GLU 95 - H SER 97 far 0 59 0 - 3.9-4.8 Violated in 0 structures by 0.00 A. Peak 7579 from nnoeabs.peaks (7.66, 8.22, 111.97 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 98 + H SER 97 OK 100 100 100 100 2.3-2.8 7586=100, 4.5/4356=33...(14) 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 3.7-4.5 7595/7586=85...(13) H GLU 28 - H SER 97 far 0 100 0 - 9.1-10.5 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; 4.78 A increased from 4.50 A): 1 out of 7 assignments used, quality = 0.97: * HA LYS 94 + H GLU 98 OK 97 100 100 97 3.6-4.7 7566/7586=72...(8) HA2 GLY 101 - H GLU 98 far 0 100 0 - 5.5-10.2 HA3 GLY 101 - H GLU 98 far 0 82 0 - 5.6-9.6 HA2 GLY 100 - H GLU 98 far 0 100 0 - 5.7-6.8 HA ARG 91 - H GLU 98 far 0 90 0 - 8.3-8.9 HA ALA 22 - H GLU 98 far 0 59 0 - 8.5-9.5 HB2 SER 102 - H GLU 98 far 0 81 0 - 8.6-13.8 Violated in 0 structures by 0.00 A. Peak 7583 from nnoeabs.peaks (4.02, 7.66, 120.59 ppm; 3.98 A): 2 out of 2 assignments used, quality = 0.97: * HA GLU 95 + H GLU 98 OK 93 100 100 93 3.5-4.0 4368/7591=63, 4281=44...(7) HB3 SER 97 + H GLU 98 OK 58 59 100 97 2.2-3.8 4.5=68, 4.1/7586=53...(11) Violated in 0 structures by 0.00 A. Peak 7584 from nnoeabs.peaks (8.21, 7.66, 120.59 ppm; 3.37 A): 1 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...(14) ! H PHE 96 - H GLU 98 far 0 100 0 - 3.8-4.7 H LEU 27 - H GLU 98 far 0 79 0 - 9.1-10.1 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 4.0-5.0 3.6/7586=84...(4) Violated in 4 structures by 0.00 A. Peak 7586 from nnoeabs.peaks (8.22, 7.66, 120.59 ppm; 3.37 A): 1 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...(14) H PHE 96 - H GLU 98 far 0 100 0 - 3.8-4.7 H LEU 27 - H GLU 98 far 0 85 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 7587 from nnoeabs.peaks (3.82, 7.66, 120.59 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 97 + H GLU 98 OK 100 100 100 100 3.4-3.6 3.6=100 HB3 SER 102 - H GLU 98 far 0 100 0 - 7.9-13.2 HA ALA 22 - H GLU 98 far 0 99 0 - 8.5-9.5 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 = 0.93: * HB2 SER 97 + H GLU 98 OK 81 100 85 95 3.6-4.3 4.5=55, 4350/7586=52...(8) HB3 SER 97 + H GLU 98 OK 62 68 100 92 2.2-3.8 4.5=55, 4.1/7586=46...(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 2.2-3.8 4.5=60, 4356/7586=56...(11) HB2 SER 97 + H GLU 98 OK 54 68 85 95 3.6-4.3 4.5=60, 4.1/7584=49...(8) HA GLU 95 + H GLU 98 OK 40 59 100 68 3.5-4.0 4368/7591=35...(5) 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): 1 out of 6 assignments used, quality = 0.94: * HB2 GLU 98 + H GLU 98 OK 94 100 100 94 2.2-2.7 4.0=43, 3.0/7594=41...(10) HB3 GLU 98 - H GLU 98 far 0 100 0 - 3.5-3.6 HB2 GLU 99 - H GLU 98 far 0 100 0 - 4.2-6.6 HB3 GLU 99 - H GLU 98 far 0 100 0 - 4.7-6.4 HB3 LYS 94 - H GLU 98 far 0 90 0 - 5.5-6.8 HG12 ILE 93 - H GLU 98 far 0 100 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 7592 from nnoeabs.peaks (2.04, 7.66, 120.59 ppm; 3.02 A): 1 out of 6 assignments used, quality = 0.94: HB2 GLU 98 + H GLU 98 OK 94 100 100 94 2.2-2.7 4.0=43, 3.0/7594=41...(10) ! HB3 GLU 98 - H GLU 98 far 0 100 0 - 3.5-3.6 HB2 GLU 99 - H GLU 98 far 0 100 0 - 4.2-6.6 HB3 GLU 99 - H GLU 98 far 0 100 0 - 4.7-6.4 HB3 LYS 94 - H GLU 98 far 0 91 0 - 5.5-6.8 HG12 ILE 93 - H GLU 98 far 0 100 0 - 8.9-9.8 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 3 assignments used, quality = 1.00: * HG2 GLU 98 + H GLU 98 OK 100 100 100 100 2.8-3.7 1.8/7594=80, 3.0/7592=66...(8) HG2 GLU 99 - H GLU 98 far 0 100 0 - 4.0-6.4 HB2 GLU 95 - H GLU 98 far 0 99 0 - 5.2-6.4 Violated in 2 structures by 0.00 A. Peak 7594 from nnoeabs.peaks (2.47, 7.66, 120.59 ppm; 3.39 A): 1 out of 2 assignments used, quality = 0.99: * HG3 GLU 98 + H GLU 98 OK 99 100 100 99 2.1-3.4 1.8/7593=64, 3.0/7592=59...(10) HG3 GLU 99 - H GLU 98 far 0 68 0 - 4.5-6.1 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 2.3-3.1 7602=87, 4.6/7592=32...(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 = 0.99: * H GLY 100 + H GLU 98 OK 99 100 100 99 3.6-4.6 7619/7595=87...(4) H TRP 92 - H GLU 98 far 0 100 0 - 9.2-9.7 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 95 100 100 95 3.5-4.4 4368/4.6=73...(5) HB3 SER 97 + H GLU 99 OK 47 59 80 100 4.7-6.1 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 3.3-4.3 4322=90, 10181/7612=60...(8) 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 3.7-4.5 7580=98, 7586/7595=84...(12) H PHE 96 + H GLU 99 OK 85 100 90 94 4.5-5.3 3.0/7599=67, 4.6/7580=48...(4) H GLU 104 - H GLU 99 far 0 100 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 7601 from nnoeabs.peaks (3.82, 7.79, 120.07 ppm; 5.08 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 97 + H GLU 99 OK 100 100 100 100 4.0-5.1 3.6/7595=87, 3.0/7580=73...(6) HB3 SER 102 - H GLU 99 far 5 100 5 - 5.2-10.6 Violated in 1 structures by 0.00 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 2.3-3.1 7595=100, 7591/4.6=35...(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 3.5-3.6 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): 2 out of 5 assignments used, quality = 0.92: HB2 GLU 99 + H GLU 99 OK 73 100 80 91 2.2-3.6 3.9=46, 3.0/7611=37...(10) * HB2 GLU 98 + H GLU 99 OK 72 100 100 72 2.3-3.0 7591/7595=42, 4.6=28...(7) HB3 GLU 99 - H GLU 99 poor 20 100 20 - 2.4-3.6 HB3 GLU 98 - H GLU 99 far 15 100 15 - 2.6-3.9 HB3 LYS 94 - H GLU 99 far 0 90 0 - 7.8-8.9 Violated in 0 structures by 0.00 A. Peak 7605 from nnoeabs.peaks (2.04, 7.79, 120.07 ppm; 2.98 A): 2 out of 5 assignments used, quality = 0.92: HB2 GLU 99 + H GLU 99 OK 73 100 80 91 2.2-3.6 3.9=46, 3.0/7611=37...(10) HB2 GLU 98 + H GLU 99 OK 72 100 100 72 2.3-3.0 7592/7595=42, 4.6=28...(7) HB3 GLU 99 - H GLU 99 poor 20 100 20 - 2.4-3.6 ! HB3 GLU 98 - H GLU 99 far 15 100 15 - 2.6-3.9 HB3 LYS 94 - H GLU 99 far 0 91 0 - 7.8-8.9 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 = 0.99: HG2 GLU 99 + H GLU 99 OK 99 100 100 99 1.9-3.7 4390=75, 1.8/4428=67...(10) ! HG2 GLU 98 - H GLU 99 far 0 100 0 - 4.7-5.1 HB2 GLU 95 - H GLU 99 far 0 99 0 - 4.8-6.6 HG2 MET 1 - H GLU 99 far 0 95 0 - 9.5-10.7 Violated in 2 structures by 0.00 A. Peak 7607 from nnoeabs.peaks (2.47, 7.79, 120.07 ppm; 4.08 A): 2 out of 2 assignments used, quality = 0.79: HG3 GLU 99 + H GLU 99 OK 67 68 100 100 2.4-3.9 1.8/7611=85, 4.7=65...(9) * HG3 GLU 98 + H GLU 99 OK 34 100 35 98 4.1-4.8 7594/7595=67...(7) 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 1 assignment used, quality = 1.00: * HA GLU 99 + H GLU 99 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 7609 from nnoeabs.peaks (2.04, 7.79, 120.07 ppm; 2.98 A): 2 out of 5 assignments used, quality = 0.92: * HB2 GLU 99 + H GLU 99 OK 73 100 80 91 2.2-3.6 3.9=46, 3.0/7611=37...(10) HB2 GLU 98 + H GLU 99 OK 72 100 100 72 2.3-3.0 7592/7595=42, 4.6=28...(7) HB3 GLU 99 - H GLU 99 poor 20 100 20 - 2.4-3.6 HB3 GLU 98 - H GLU 99 far 15 100 15 - 2.6-3.9 HB3 LYS 94 - H GLU 99 far 0 91 0 - 7.8-8.9 Violated in 0 structures by 0.00 A. Peak 7610 from nnoeabs.peaks (2.04, 7.79, 120.07 ppm; 2.98 A): 2 out of 5 assignments used, quality = 0.92: HB2 GLU 99 + H GLU 99 OK 72 100 80 91 2.2-3.6 3.9=46, 3.0/7611=37...(9) HB2 GLU 98 + H GLU 99 OK 71 100 100 71 2.3-3.0 7592/7595=41, 4.6=28...(7) ! HB3 GLU 99 - H GLU 99 poor 18 100 20 91 2.4-3.6 3.9=46, 3.0/7606=37...(9) HB3 GLU 98 - H GLU 99 far 15 100 15 - 2.6-3.9 HB3 LYS 94 - H GLU 99 far 0 96 0 - 7.8-8.9 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 = 0.99: * HG2 GLU 99 + H GLU 99 OK 99 100 100 99 1.9-3.7 4421=75, 1.8/4428=67...(10) HG2 GLU 98 - H GLU 99 far 0 100 0 - 4.7-5.1 HB2 GLU 95 - H GLU 99 far 0 95 0 - 4.8-6.6 HG2 MET 1 - H GLU 99 far 0 88 0 - 9.5-10.7 Violated in 2 structures by 0.00 A. Peak 7612 from nnoeabs.peaks (2.44, 7.79, 120.07 ppm; 3.93 A increased from 3.70 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 99 + H GLU 99 OK 100 100 100 100 2.4-3.9 4428=100, 1.8/7611=81...(9) HG3 GLU 98 - H GLU 99 poor 14 68 20 - 4.1-4.8 HG3 MET 1 - H GLU 99 far 0 92 0 - 8.0-9.3 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 1 assignment used, quality = 1.00: * H GLY 100 + H GLU 99 OK 100 100 100 100 2.5-3.0 7619=100, 4.7/7606=42...(11) 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 3.2-4.1 10066/10085=43...(6) HB3 SER 102 - H GLY 100 far 0 100 0 - 5.1-9.1 Violated in 0 structures by 0.00 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 4.0-4.7 11026=86, 3.6/7619=85...(4) HA MET 1 - H GLY 100 far 0 77 0 - 8.8-10.5 Violated in 0 structures by 0.00 A. Peak 7619 from nnoeabs.peaks (7.79, 8.14, 107.80 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 99 + H GLY 100 OK 100 100 100 100 2.5-3.0 7613=95, 7606/4.7=40...(11) 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 3.5-3.6 3.6=100 HA MET 1 - H GLY 100 far 0 70 0 - 8.8-10.5 HA GLU 104 - H GLY 100 far 0 100 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 7621 from nnoeabs.peaks (2.04, 8.14, 107.80 ppm; 4.07 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 99 + H GLY 100 OK 97 100 100 97 2.5-4.1 4.7=67, 3.9/7619=51...(12) HB3 GLU 99 + H GLY 100 OK 97 100 100 97 2.9-4.1 4.7=67, 3.9/7619=51...(12) HB2 GLU 98 - H GLY 100 far 0 100 0 - 4.5-5.6 HB3 GLU 98 - H GLY 100 far 0 100 0 - 5.0-5.9 HB3 LYS 94 - H GLY 100 far 0 91 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 7622 from nnoeabs.peaks (2.04, 8.14, 107.80 ppm; 4.07 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLU 99 + H GLY 100 OK 97 100 100 97 2.9-4.1 4.7=67, 3.9/7619=51...(12) HB2 GLU 99 + H GLY 100 OK 97 100 100 97 2.5-4.1 4.7=67, 3.9/7619=51...(12) HB2 GLU 98 - H GLY 100 far 0 100 0 - 4.5-5.6 HB3 GLU 98 - H GLY 100 far 0 100 0 - 5.0-5.9 HB3 MET 1 - H GLY 100 far 0 68 0 - 7.3-9.1 HB3 LYS 94 - H GLY 100 far 0 96 0 - 9.5-10.9 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 1.9-5.0 4.7=100 HG2 GLU 98 - H GLY 100 far 0 100 0 - 6.2-6.9 HG2 MET 1 - H GLY 100 far 0 88 0 - 6.7-8.3 HB2 GLU 95 - H GLY 100 far 0 95 0 - 6.7-8.8 Violated in 0 structures by 0.00 A. Peak 7624 from nnoeabs.peaks (2.44, 8.14, 107.80 ppm; 5.68 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 99 + H GLY 100 OK 100 100 100 100 2.2-5.1 4.7=100 HG3 MET 1 + H GLY 100 OK 26 92 30 93 5.1-7.1 8095/10085=60...(7) HG3 GLU 98 - H GLY 100 far 7 68 10 - 5.7-7.0 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 HA3 GLY 101 - H GLY 100 far 0 82 0 - 4.3-5.6 HA2 GLY 101 - H GLY 100 far 0 100 0 - 4.7-5.7 HB2 SER 102 - H GLY 100 far 0 81 0 - 5.4-9.7 HA LYS 94 - H GLY 100 far 0 100 0 - 7.3-8.7 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 2.6-3.7 7629=100, 10099/3.6=49...(6) H SER 102 - H GLY 100 far 10 65 15 - 3.8-7.5 Violated in 0 structures by 0.00 A. Peak 7628 from nnoeabs.peaks (8.02, 8.02, 108.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 101 + H GLY 101 OK 100 100 - 100 Peak 7629 from nnoeabs.peaks (8.14, 8.02, 108.03 ppm; 3.91 A): 1 out of 2 assignments used, quality = 0.90: * H GLY 100 + H GLY 101 OK 90 100 100 90 2.6-3.7 7627=67, 3.6/10099=37...(6) H HIS 106 - H GLY 101 far 0 96 0 - 8.4-15.0 Violated in 0 structures by 0.00 A. Peak 7630 from nnoeabs.peaks (3.87, 8.02, 108.03 ppm; 3.06 A): 2 out of 5 assignments used, quality = 1.00: HA2 GLY 101 + H GLY 101 OK 100 100 100 100 2.3-3.0 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 far 15 100 15 - 2.6-3.6 HB2 SER 102 - H GLY 101 far 0 81 0 - 4.5-7.3 HA LYS 94 - H GLY 101 far 0 100 0 - 9.1-11.6 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 2.7-3.6 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): 2 out of 5 assignments used, quality = 1.00: * HA2 GLY 101 + H GLY 101 OK 100 100 100 100 2.3-3.0 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 far 15 100 15 - 2.6-3.6 HB2 SER 102 - H GLY 101 far 0 81 0 - 4.5-7.3 HA LYS 94 - H GLY 101 far 0 100 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 7633 from nnoeabs.peaks (3.89, 8.02, 108.03 ppm; 3.08 A increased from 2.90 A): 2 out of 5 assignments used, quality = 1.00: * HA3 GLY 101 + H GLY 101 OK 100 100 100 100 2.3-3.0 3.0=100 HA2 GLY 101 + H GLY 101 OK 82 82 100 100 2.3-3.0 3.0=100 HA2 GLY 100 - H GLY 101 far 12 82 15 - 2.6-3.6 HB2 SER 102 - H GLY 101 far 0 100 0 - 4.5-7.3 HA LYS 94 - H GLY 101 far 0 82 0 - 9.1-11.6 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 2.1-3.5 3.6=100 HB2 SER 102 + H SER 102 OK 60 81 90 83 2.4-4.1 4.0=76, 4.5/7644=28 HA2 GLY 100 - H SER 102 far 0 100 0 - 4.1-7.0 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 = 0.99: * HA3 GLY 101 + H SER 102 OK 91 100 100 91 2.1-3.5 3.6=88, 1.8/4450=16, 11029/4.6=8 HA2 GLY 101 + H SER 102 OK 76 82 100 92 2.1-3.6 3.6=88, 1.8/4450=26, 11029/4.6=5 HB2 SER 102 + H SER 102 OK 48 100 65 73 2.4-4.1 4.0=64, 4.5/7644=25 HA2 GLY 100 - H SER 102 far 0 82 0 - 4.1-7.0 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 4 assignments used, quality = 1.00: * HA SER 102 + H SER 102 OK 100 100 100 100 2.3-2.9 3.0=100 HA ALA 25 - H SER 102 far 0 71 0 - 8.4-17.3 HA HIS 106 - H SER 102 far 0 82 0 - 8.7-13.4 HA ASN 26 - H SER 102 far 0 88 0 - 9.5-19.3 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 = 0.99: HA3 GLY 101 + H SER 102 OK 91 100 100 91 2.1-3.5 3.6=88, 1.8/4450=16, 11029/4.6=8 HA2 GLY 101 + H SER 102 OK 74 81 100 92 2.1-3.6 3.6=88, 1.8/4450=26, 11029/4.6=5 * HB2 SER 102 + H SER 102 OK 48 100 65 73 2.4-4.1 4.0=64, 4.5/7644=25 HA2 GLY 100 - H SER 102 far 0 81 0 - 4.1-7.0 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 2.1-3.8 4.0=100 HA SER 97 - H SER 102 far 0 100 0 - 5.7-10.8 Violated in 0 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 2.6-4.6 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 2.6-4.6 4.6=99, 3.0/7645=90...(7) H GLY 101 - H LEU 103 poor 13 65 20 - 4.1-7.9 Violated in 1 structures by 0.00 A. Peak 7645 from nnoeabs.peaks (4.38, 8.29, 123.60 ppm; 3.05 A): 1 out of 2 assignments used, quality = 0.89: * HA SER 102 + H LEU 103 OK 89 100 100 89 2.1-3.0 4455=77, 3.0/7644=26...(7) HA HIS 106 - H LEU 103 far 0 82 0 - 7.3-11.3 Violated in 0 structures by 0.00 A. Peak 7646 from nnoeabs.peaks (3.89, 8.29, 123.60 ppm; 4.38 A increased from 3.90 A): 2 out of 4 assignments used, quality = 1.00: * HB2 SER 102 + H LEU 103 OK 100 100 100 100 2.0-4.6 4.5=90, 3.0/7645=85...(7) HA3 GLY 101 + H LEU 103 OK 23 100 35 67 3.3-6.9 3.6/7644=53, 11029=16...(5) HA2 GLY 101 - H LEU 103 poor 19 81 35 67 3.1-7.0 3.6/7644=53...(6) HA2 GLY 100 - H LEU 103 far 0 81 0 - 4.9-9.8 Violated in 0 structures by 0.00 A. Peak 7647 from nnoeabs.peaks (3.81, 8.29, 123.60 ppm; 4.65 A increased from 4.37 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 102 + H LEU 103 OK 100 100 100 100 3.3-4.6 4.5=100 HA SER 97 - H LEU 103 far 0 100 0 - 9.1-14.1 Violated in 0 structures by 0.00 A. Peak 7648 from nnoeabs.peaks (4.30, 8.29, 123.60 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 103 + H LEU 103 OK 100 100 100 100 2.3-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 7649 from nnoeabs.peaks (1.58, 8.29, 123.60 ppm; 3.75 A increased from 3.00 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 103 + H LEU 103 OK 100 100 100 100 2.1-4.0 4474=84, 1.8/7650=76...(13) HG LEU 103 + H LEU 103 OK 50 100 50 99 2.0-4.6 4493/7650=58...(12) HD3 LYS 53 - H LEU 103 far 0 71 0 - 4.7-11.3 HB2 ARG 79 - H LEU 103 far 0 96 0 - 6.2-16.3 HB2 LEU 3 - H LEU 103 far 0 73 0 - 8.9-15.2 Violated in 0 structures by 0.00 A. Peak 7650 from nnoeabs.peaks (1.52, 8.29, 123.60 ppm; 3.69 A): 1 out of 6 assignments used, quality = 0.99: * HB3 LEU 103 + H LEU 103 OK 99 100 100 99 2.3-3.9 4.0=76, 1.8/4474=66...(12) HD3 LYS 53 - H LEU 103 far 0 79 0 - 4.7-11.3 HG2 ARG 79 - H LEU 103 far 0 99 0 - 4.9-16.9 HG3 ARG 79 - H LEU 103 far 0 98 0 - 6.2-18.0 HG LEU 2 - H LEU 103 far 0 99 0 - 8.3-17.5 HB2 LEU 3 - H LEU 103 far 0 77 0 - 8.9-15.2 Violated in 1 structures by 0.01 A. Peak 7651 from nnoeabs.peaks (1.58, 8.29, 123.60 ppm; 3.74 A increased from 2.99 A): 2 out of 5 assignments used, quality = 1.00: HB2 LEU 103 + H LEU 103 OK 100 100 100 100 2.1-4.0 4474=83, 1.8/7650=75...(13) * HG LEU 103 + H LEU 103 OK 50 100 50 99 2.0-4.6 4493/7650=58...(12) HD3 LYS 53 - H LEU 103 far 0 77 0 - 4.7-11.3 HB2 ARG 79 - H LEU 103 far 0 94 0 - 6.2-16.3 HB2 LEU 3 - H LEU 103 far 0 79 0 - 8.9-15.2 Violated in 0 structures by 0.00 A. Peak 7652 from nnoeabs.peaks (0.83, 8.29, 123.60 ppm; 4.13 A): 2 out of 4 assignments used, quality = 0.98: * QD2 LEU 103 + H LEU 103 OK 95 100 95 100 2.2-4.7 4499/3.0=77, 4.7=67...(11) QD1 LEU 103 + H LEU 103 OK 61 61 100 100 2.3-4.4 4.7=67, 3.1/7650=66...(11) QD2 LEU 2 - H LEU 103 far 0 94 0 - 8.9-16.1 QD2 LEU 57 - H LEU 103 far 0 75 0 - 9.6-17.2 Violated in 0 structures by 0.00 A. Peak 7653 from nnoeabs.peaks (0.86, 8.29, 123.60 ppm; 4.22 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 103 + H LEU 103 OK 100 100 100 100 2.3-4.4 4.7=71, 3.1/7650=69...(12) QD2 LEU 103 + H LEU 103 OK 58 61 95 100 2.2-4.7 4.7=71, 3.1/7650=69...(10) QD1 LEU 2 - H LEU 103 far 0 94 0 - 7.8-14.3 Violated in 0 structures by 0.00 A. Peak 7654 from nnoeabs.peaks (8.22, 8.29, 123.60 ppm; 4.10 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 104 + H LEU 103 OK 100 100 100 100 1.9-2.8 7548=84, 4473/3.0=71...(8) H PHE 96 - H LEU 103 far 0 100 0 - 8.4-15.3 H SER 97 - H LEU 103 far 0 100 0 - 9.1-15.1 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 1.9-2.8 7654=83, 3.0/4473=65...(8) H LYS 94 + H PHE 96 OK 80 81 100 98 3.7-4.0 7522=74, 3.6/7547=45...(11) H LEU 103 - H PHE 96 far 0 96 0 - 8.4-15.3 Violated in 0 structures by 0.00 A. Peak 7657 from nnoeabs.peaks (4.30, 8.22, 120.51 ppm; 3.67 A increased from 3.09 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 103 + H GLU 104 OK 100 100 100 100 2.7-3.5 3.6=100 HA LEU 103 - H PHE 96 far 0 96 0 - 9.2-16.6 Violated in 0 structures by 0.00 A. Peak 7658 from nnoeabs.peaks (1.58, 8.22, 120.51 ppm; 4.48 A increased from 3.99 A): 2 out of 13 assignments used, quality = 1.00: * HB2 LEU 103 + H GLU 104 OK 100 100 100 100 3.0-4.5 4.3=100 HG LEU 103 + H GLU 104 OK 39 100 40 98 2.0-5.9 4493/7659=73...(5) HD3 LYS 53 - H GLU 104 far 0 71 0 - 5.5-13.4 HB2 ARG 79 - H GLU 104 far 0 96 0 - 6.4-18.0 HG LEU 103 - H PHE 96 far 0 96 0 - 6.5-18.6 HD3 LYS 94 - H PHE 96 far 0 92 0 - 6.8-7.4 HD2 LYS 94 - H PHE 96 far 0 53 0 - 6.9-7.3 HG LEU 27 - H PHE 96 far 0 92 0 - 7.4-8.4 HB2 ARG 79 - H PHE 96 far 0 90 0 - 7.9-10.3 HB2 LEU 3 - H PHE 96 far 0 67 0 - 8.1-9.7 HB2 LEU 103 - H PHE 96 far 0 96 0 - 8.3-18.4 HD3 LYS 53 - H PHE 96 far 0 65 0 - 8.8-9.8 HB2 LEU 3 - H GLU 104 far 0 73 0 - 9.6-17.0 Violated in 0 structures by 0.00 A. Peak 7659 from nnoeabs.peaks (1.52, 8.22, 120.51 ppm; 3.97 A): 1 out of 13 assignments used, quality = 0.99: * HB3 LEU 103 + H GLU 104 OK 99 100 100 99 2.9-4.2 4.3=79, 3.0/4473=67...(8) HG2 ARG 79 - H GLU 104 far 0 99 0 - 5.1-18.7 HD3 LYS 53 - H GLU 104 far 0 79 0 - 5.5-13.4 HG3 ARG 79 - H GLU 104 far 0 98 0 - 5.9-19.9 HG2 ARG 79 - H PHE 96 far 0 93 0 - 7.1-8.9 HB3 LEU 103 - H PHE 96 far 0 96 0 - 7.5-18.1 HB2 ARG 91 - H PHE 96 far 0 57 0 - 7.9-8.5 HG LEU 57 - H PHE 96 far 0 83 0 - 8.0-8.5 HB2 LEU 3 - H PHE 96 far 0 70 0 - 8.1-9.7 HG3 ARG 79 - H PHE 96 far 0 93 0 - 8.5-10.1 HD3 LYS 53 - H PHE 96 far 0 72 0 - 8.8-9.8 HG LEU 2 - H GLU 104 far 0 99 0 - 9.3-18.3 HB2 LEU 3 - H GLU 104 far 0 77 0 - 9.6-17.0 Violated in 4 structures by 0.04 A. Peak 7660 from nnoeabs.peaks (1.58, 8.22, 120.51 ppm; 4.58 A increased from 3.86 A): 2 out of 12 assignments used, quality = 1.00: HB2 LEU 103 + H GLU 104 OK 100 100 100 100 3.0-4.5 4.3=100 * HG LEU 103 + H GLU 104 OK 49 100 50 98 2.0-5.9 4493/7659=75...(5) HD3 LYS 53 - H GLU 104 far 0 77 0 - 5.5-13.4 HB2 ARG 79 - H GLU 104 far 0 94 0 - 6.4-18.0 HG LEU 103 - H PHE 96 far 0 96 0 - 6.5-18.6 HD3 LYS 94 - H PHE 96 far 0 90 0 - 6.8-7.4 HG LEU 27 - H PHE 96 far 0 90 0 - 7.4-8.4 HB2 ARG 79 - H PHE 96 far 0 88 0 - 7.9-10.3 HB2 LEU 3 - H PHE 96 far 0 72 0 - 8.1-9.7 HB2 LEU 103 - H PHE 96 far 0 96 0 - 8.3-18.4 HD3 LYS 53 - H PHE 96 far 0 70 0 - 8.8-9.8 HB2 LEU 3 - H GLU 104 far 0 79 0 - 9.6-17.0 Violated in 0 structures by 0.00 A. Peak 7661 from nnoeabs.peaks (0.83, 8.22, 120.51 ppm; 5.03 A increased from 4.24 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 103 + H GLU 104 OK 100 100 100 100 3.5-5.0 4.9=100 QD1 LEU 103 + H GLU 104 OK 52 61 85 100 3.3-5.6 4.9=100 QD1 LEU 103 - H PHE 96 far 3 55 5 - 4.2-16.3 QD2 LEU 103 - H PHE 96 far 0 96 0 - 6.2-14.9 QD2 LEU 57 - H PHE 96 far 0 69 0 - 6.5-7.1 QD1 LEU 57 - H PHE 96 far 0 96 0 - 7.0-7.6 QD2 LEU 2 - H GLU 104 far 0 94 0 - 9.6-16.9 Violated in 0 structures by 0.00 A. Peak 7662 from nnoeabs.peaks (0.86, 8.22, 120.51 ppm; 5.00 A increased from 4.45 A): 2 out of 6 assignments used, quality = 0.94: * QD1 LEU 103 + H GLU 104 OK 85 100 85 100 3.3-5.6 4.9=100 QD2 LEU 103 + H GLU 104 OK 61 61 100 100 3.5-5.0 4.9=100 QD1 LEU 103 - H PHE 96 far 5 96 5 - 4.2-16.3 QD2 LEU 103 - H PHE 96 far 0 55 0 - 6.2-14.9 QD1 LEU 57 - H PHE 96 far 0 57 0 - 7.0-7.6 QD1 LEU 2 - H GLU 104 far 0 94 0 - 9.1-14.8 Violated in 0 structures by 0.00 A. Peak 7663 from nnoeabs.peaks (4.13, 8.22, 120.51 ppm; 3.54 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 104 + H GLU 104 OK 100 100 100 100 2.3-2.9 3.0=100 HA GLU 99 - H GLU 104 far 0 100 0 - 6.9-13.1 HA GLU 99 - H PHE 96 far 0 96 0 - 6.9-8.0 HA MET 1 - H GLU 104 far 0 75 0 - 7.4-15.5 Violated in 0 structures by 0.00 A. Peak 7664 from nnoeabs.peaks (1.81, 8.22, 120.51 ppm; 3.16 A): 1 out of 7 assignments used, quality = 0.95: * HB2 GLU 104 + H GLU 104 OK 95 100 100 95 2.2-3.1 4521=55, 1.8/7665=55...(7) HB ILE 93 - H PHE 96 far 0 95 0 - 5.2-5.6 HB2 LYS 53 - H GLU 104 far 0 73 0 - 7.4-14.2 HB3 LYS 90 - H PHE 96 far 0 79 0 - 8.6-9.2 HB2 LYS 90 - H PHE 96 far 0 96 0 - 9.1-9.6 HB2 LYS 53 - H PHE 96 far 0 67 0 - 9.2-10.0 HB3 LEU 57 - H PHE 96 far 0 90 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 7665 from nnoeabs.peaks (1.87, 8.22, 120.51 ppm; 3.68 A increased from 3.46 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 104 + H GLU 104 OK 100 100 100 100 2.3-3.9 4528=87, 1.8/7664=86...(7) HB2 LYS 53 - H GLU 104 far 0 79 0 - 7.4-14.2 HB VAL 5 - H PHE 96 far 0 94 0 - 8.4-9.3 HB3 LYS 90 - H PHE 96 far 0 59 0 - 8.6-9.2 HB2 LYS 53 - H PHE 96 far 0 72 0 - 9.2-10.0 Violated in 1 structures by 0.01 A. Peak 7666 from nnoeabs.peaks (2.15, 8.22, 120.51 ppm; 4.12 A increased from 3.47 A): 2 out of 3 assignments used, quality = 0.99: HB3 GLU 95 + H PHE 96 OK 93 93 100 100 2.9-4.1 4299=83, 1.8/4291=66...(7) * HG2 GLU 104 + H GLU 104 OK 90 100 90 100 2.0-4.7 4535=91, 3.0/7664=77...(7) HB3 GLU 95 - H GLU 104 far 0 99 0 - 9.1-18.0 Violated in 0 structures by 0.00 A. Peak 7667 from nnoeabs.peaks (2.10, 8.22, 120.51 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 104 + H GLU 104 OK 100 100 100 100 2.0-4.0 3.0/7664=72, 1.8/4535=66...(7) QE MET 21 - H PHE 96 far 0 96 0 - 5.4-6.0 Violated in 2 structures by 0.01 A. Peak 7669 from nnoeabs.peaks (8.15, 8.15, 125.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H HIS 106 + H HIS 106 OK 100 100 - 100 Peak 7671 from nnoeabs.peaks (4.41, 8.15, 125.33 ppm; 4.39 A): 1 out of 4 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 4 82 5 - 4.3-11.9 HA ALA 25 - H HIS 106 far 0 100 0 - 7.7-27.6 HA GLN 50 - H HIS 106 far 0 99 0 - 9.7-24.3 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 - 7.9-23.4 Violated in 0 structures by 0.00 A. Peak 7677 from nnoeabs.peaks (3.18, 8.15, 125.33 ppm; 5.53 A): 1 out of 2 assignments used, quality = 1.00: * HB2 HIS 106 + H HIS 106 OK 100 100 100 100 2.2-4.0 4.0=100 HB2 ASP 77 - H HIS 106 far 0 87 0 - 7.8-20.8 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 5 assignments used, quality = 1.00: * HB3 HIS 106 + H HIS 106 OK 100 100 100 100 2.5-3.8 4.0=100 HB3 HIS 105 + H HIS 106 OK 96 99 100 98 2.6-4.5 4.7=87, 4552/3.6=78, 1.8/4095=23 HB3 ASN 26 - H HIS 106 far 0 98 0 - 5.3-28.9 HD3 ARG 79 - H HIS 106 far 0 92 0 - 8.3-20.4 HD2 ARG 79 - H HIS 106 far 0 94 0 - 9.1-19.4 Violated in 0 structures by 0.00 A. Peak 8044 from nnoeabs.peaks (5.34, 8.51, 127.16 ppm; 4.30 A): 1 out of 1 assignment used, quality = 0.99: HA ILE 52 + H LEU 2 OK 99 100 100 99 3.2-3.5 11126=61, 8046/4.0=46...(12) Violated in 0 structures by 0.00 A. Peak 8059 from nnoeabs.peaks (6.44, 7.84, 122.56 ppm; 5.58 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 4 + H LEU 3 OK 100 100 100 100 3.4-4.0 8041/6022=72, 8155/67=59...(12) QD TYR 4 + H LEU 3 OK 99 100 100 100 3.4-3.9 6042/6032=78...(14) 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 = 0.95: HA LEU 27 + H LEU 3 OK 95 98 100 97 4.6-5.4 4.0/12276=78...(3) 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 1.9-3.2 2.2/8120=76...(16) HD21 ASN 10 - H GLU 63 far 0 48 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 8120 from nnoeabs.peaks (7.07, 8.36, 119.31 ppm; 4.00 A): 1 out of 2 assignments used, quality = 0.97: HZ PHE 96 + H TYR 4 OK 97 100 100 97 2.9-4.1 2.2/8119=65...(15) QD PHE 96 - H TYR 4 far 9 59 15 - 4.0-5.5 Violated in 4 structures by 0.01 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 3.9-4.5 9293=100, 6902/10203=68...(11) Violated in 0 structures by 0.00 A. Peak 8122 from nnoeabs.peaks (8.48, 8.36, 119.31 ppm; 4.27 A): 2 out of 6 assignments used, quality = 0.98: H LYS 53 + H TYR 4 OK 97 98 100 100 3.1-3.7 11098=83, 9178/99=63...(15) H VAL 54 + H TYR 4 OK 30 99 30 100 4.4-4.8 11100=68, 3.0/10203=62...(11) H ALA 67 - H GLU 63 far 0 58 0 - 5.8-6.0 H ARG 79 - H TYR 4 far 0 93 0 - 6.8-7.4 H LEU 2 - H TYR 4 far 0 79 0 - 7.0-7.2 H LEU 29 - H TYR 4 far 0 79 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 8133 from nnoeabs.peaks (0.77, 8.36, 119.31 ppm; 4.87 A increased from 3.90 A): 2 out of 15 assignments used, quality = 1.00: QG1 VAL 54 + H TYR 4 OK 99 99 100 100 4.1-4.8 2.1/9227=81...(13) QD1 LEU 27 + H TYR 4 OK 99 100 100 99 4.2-5.2 10134/6035=62...(9) QG2 ILE 8 - H GLU 63 far 0 51 0 - 5.3-5.7 QG2 ILE 52 - H TYR 4 far 0 99 0 - 5.4-6.0 QG1 VAL 78 - H TYR 4 far 0 87 0 - 6.1-6.9 QD1 LEU 64 - H GLU 63 far 0 40 0 - 6.5-6.6 QD1 LEU 6 - H TYR 4 far 0 100 0 - 6.7-7.3 QG2 ILE 93 - H TYR 4 far 0 93 0 - 6.9-7.6 QD2 LEU 2 - H TYR 4 far 0 59 0 - 7.1-7.4 QD2 LEU 42 - H TYR 4 far 0 100 0 - 7.3-7.8 QD2 LEU 57 - H TYR 4 far 0 84 0 - 7.4-8.5 QD1 ILE 76 - H TYR 4 far 0 75 0 - 8.8-9.5 QD1 ILE 93 - H TYR 4 far 0 100 0 - 8.8-9.7 HG13 ILE 93 - H TYR 4 far 0 84 0 - 9.1-10.5 QD2 LEU 70 - H GLU 63 far 0 29 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 8134 from nnoeabs.peaks (0.66, 8.36, 119.31 ppm; 4.19 A increased from 3.95 A): 2 out of 8 assignments used, quality = 1.00: QG2 VAL 54 + H TYR 4 OK 100 100 100 100 3.5-4.2 9227=76, 9239/6040=62...(15) QG2 VAL 58 + H GLU 63 OK 49 49 100 99 4.0-4.4 9380/4.0=47...(19) QD1 ILE 52 - H TYR 4 far 0 61 0 - 4.6-5.7 QD1 LEU 29 - H TYR 4 far 0 100 0 - 7.5-8.2 QD2 LEU 6 - H TYR 4 far 0 77 0 - 7.6-8.0 QD2 LEU 29 - H TYR 4 far 0 97 0 - 8.6-9.3 QD1 LEU 42 - H TYR 4 far 0 73 0 - 9.8-10.3 QD1 ILE 7 - H GLU 63 far 0 31 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 8137 from nnoeabs.peaks (1.88, 8.36, 119.31 ppm; 5.42 A increased from 4.81 A): 3 out of 6 assignments used, quality = 0.90: HB2 LYS 53 + H TYR 4 OK 59 59 100 100 4.5-5.2 1.8/8138=93...(10) HB VAL 54 + H TYR 4 OK 55 100 55 100 5.4-6.0 2.1/9227=92...(8) HB3 LYS 66 + H GLU 63 OK 48 49 100 97 5.0-5.4 2771/2.9=88, ~2884=40...(7) HB VAL 5 - H TYR 4 far 0 93 0 - 6.1-6.3 HB ILE 8 - H GLU 63 far 0 53 0 - 6.8-7.3 HB3 LYS 68 - H GLU 63 far 0 56 0 - 9.5-10.0 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 6 assignments used, quality = 1.00: HB3 LYS 53 + H TYR 4 OK 100 100 100 100 3.4-4.0 8114/6037=72...(14) HB2 LEU 2 - H TYR 4 far 0 99 0 - 5.5-6.0 HB ILE 52 - H TYR 4 far 0 91 0 - 6.6-7.4 HD3 LYS 66 - H GLU 63 far 0 56 0 - 7.3-8.2 HB3 ARG 79 - H TYR 4 far 0 63 0 - 8.0-10.1 HD2 LYS 68 - H GLU 63 far 0 28 0 - 8.6-11.1 Violated in 0 structures by 0.00 A. Peak 8160 from nnoeabs.peaks (8.46, 8.92, 119.95 ppm; 5.46 A): 1 out of 7 assignments used, quality = 0.98: H LEU 29 + H VAL 5 OK 98 98 100 100 4.7-5.0 2.9/8172=94, 8695=85...(14) H ILE 7 - H VAL 5 far 0 100 0 - 6.1-6.6 H VAL 54 - H VAL 5 far 0 84 0 - 7.2-7.5 H LYS 53 - H VAL 5 far 0 100 0 - 7.2-7.8 H THR 31 - H VAL 5 far 0 73 0 - 7.7-8.2 H ARG 79 - H VAL 5 far 0 68 0 - 8.5-8.9 H VAL 32 - H VAL 5 far 0 96 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 8161 from nnoeabs.peaks (8.65, 8.92, 119.95 ppm; 5.61 A): 1 out of 1 assignment used, quality = 0.98: H LEU 55 + H VAL 5 OK 98 98 100 100 4.0-4.2 9295/3.0=96, 9296=90...(11) 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 3.3-3.7 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; 5.40 A increased from 4.80 A): 1 out of 4 assignments used, quality = 0.99: H GLU 28 + H VAL 5 OK 99 99 100 100 4.9-5.1 8650=98, 8123/146=83...(8) HE ARG 30 - H VAL 5 far 5 93 5 - 5.7-8.7 H LEU 3 - H VAL 5 far 0 65 0 - 7.2-7.4 H ASN 26 - H VAL 5 far 0 73 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 8172 from nnoeabs.peaks (5.66, 8.92, 119.95 ppm; 3.76 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 29 + H VAL 5 OK 99 100 100 99 2.3-2.8 8694=71, 8173/6053=49...(13) Violated in 0 structures by 0.00 A. Peak 8183 from nnoeabs.peaks (0.66, 8.92, 119.95 ppm; 5.07 A increased from 4.06 A): 4 out of 7 assignments used, quality = 1.00: QG2 VAL 54 + H VAL 5 OK 100 100 100 100 4.4-5.2 9224/6050=69...(12) QD1 LEU 29 + H VAL 5 OK 100 100 100 100 4.5-5.3 2.1/8186=82...(9) QD2 LEU 6 + H VAL 5 OK 77 77 100 100 4.4-5.0 2.1/8187=89, 8204=57...(12) QD2 LEU 29 + H VAL 5 OK 29 97 30 100 5.1-5.7 2.1/8186=82, 4.1/8172=74...(7) QD1 ILE 52 - H VAL 5 far 0 61 0 - 6.1-7.4 QD1 ILE 7 - H VAL 5 far 0 65 0 - 8.3-9.2 QD1 LEU 42 - H VAL 5 far 0 73 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 8184 from nnoeabs.peaks (1.16, 8.92, 119.95 ppm; 4.78 A): 1 out of 4 assignments used, quality = 1.00: HB2 LEU 29 + H VAL 5 OK 100 100 100 100 4.0-4.7 2.9/8172=84...(11) HB2 LEU 6 - H VAL 5 far 0 91 0 - 5.6-5.8 HB3 LEU 3 - H VAL 5 far 0 99 0 - 6.1-6.2 QG2 THR 31 - H VAL 5 far 0 94 0 - 7.6-8.0 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 6 assignments used, quality = 0.98: HB3 LEU 27 + H VAL 5 OK 92 100 100 92 4.6-5.4 8634/6055=75...(4) HB3 ARG 30 + H VAL 5 OK 71 81 100 88 4.4-4.9 4.0/8162=67, 8233/4.7=31...(6) QB ALA 25 - H VAL 5 far 0 100 0 - 7.3-8.1 HB3 LEU 2 - H VAL 5 far 0 99 0 - 8.8-9.2 QB ALA 89 - H VAL 5 far 0 100 0 - 9.0-9.8 HG12 ILE 8 - H VAL 5 far 0 92 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 8186 from nnoeabs.peaks (1.45, 8.92, 119.95 ppm; 4.82 A increased from 4.54 A): 1 out of 8 assignments used, quality = 0.99: HG LEU 29 + H VAL 5 OK 99 99 100 100 4.1-4.9 3.6/8172=74, 3.0/8184=67...(10) QB ALA 22 - H VAL 5 far 15 99 15 - 5.0-5.5 HB2 LEU 27 - H VAL 5 far 10 98 10 - 5.0-6.1 HG13 ILE 52 - H VAL 5 far 0 98 0 - 7.4-8.3 HG12 ILE 7 - H VAL 5 far 0 91 0 - 9.2-9.7 HG3 LYS 53 - H VAL 5 far 0 88 0 - 9.5-10.2 QB ALA 71 - H VAL 5 far 0 68 0 - 9.6-10.1 HG2 LYS 53 - H VAL 5 far 0 94 0 - 10.0-10.6 Violated in 3 structures by 0.00 A. Peak 8187 from nnoeabs.peaks (1.56, 8.92, 119.95 ppm; 4.42 A): 1 out of 10 assignments used, quality = 0.61: HG LEU 6 + H VAL 5 OK 61 63 100 96 4.1-4.2 2.1/8204=51, ~8220=32...(17) HB3 GLU 28 - H VAL 5 far 0 100 0 - 5.1-5.4 HB3 LEU 29 - H VAL 5 far 0 70 0 - 5.2-5.7 HG3 ARG 30 - H VAL 5 far 0 73 0 - 5.4-7.3 HB2 LEU 3 - H VAL 5 far 0 99 0 - 6.9-7.2 HG LEU 27 - H VAL 5 far 0 65 0 - 7.4-8.0 HG12 ILE 56 - H VAL 5 far 0 75 0 - 7.5-7.9 HG2 ARG 19 - H VAL 5 far 0 88 0 - 8.6-11.1 HG3 ARG 79 - H VAL 5 far 0 82 0 - 9.0-12.5 HB2 ARG 79 - H VAL 5 far 0 61 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 8188 from nnoeabs.peaks (1.75, 8.92, 119.95 ppm; 5.07 A): 1 out of 4 assignments used, quality = 0.99: HB2 GLU 28 + H VAL 5 OK 99 100 100 99 4.2-5.0 8656/146=76...(5) HB VAL 78 - H VAL 5 far 0 71 0 - 8.2-8.8 HG3 ARG 19 - H VAL 5 far 0 98 0 - 8.5-10.4 HB ILE 56 - H VAL 5 far 0 96 0 - 9.4-9.6 Violated in 0 structures by 0.00 A. Peak 8199 from nnoeabs.peaks (8.63, 9.31, 126.92 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: H LEU 55 + H LEU 6 OK 100 100 100 100 3.0-3.6 9294=99, 9295/6059=77...(12) 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 = 0.96: HA ILE 56 + H LEU 6 OK 96 100 100 97 2.8-3.0 6930/9333=46...(11) HA THR 31 - H LEU 6 far 0 100 0 - 6.5-6.9 HA ARG 30 - H LEU 6 far 0 85 0 - 7.3-7.4 Violated in 0 structures by 0.00 A. Peak 8217 from nnoeabs.peaks (4.69, 9.31, 126.92 ppm; 6.04 A): 1 out of 2 assignments used, quality = 0.96: HA LEU 55 + H LEU 6 OK 96 96 100 100 4.5-4.8 2.9/8199=94...(10) HA ARG 79 - H LEU 6 far 0 84 0 - 8.9-9.3 Violated in 0 structures by 0.00 A. Peak 8232 from nnoeabs.peaks (0.61, 9.31, 126.92 ppm; 4.77 A increased from 4.24 A): 1 out of 3 assignments used, quality = 0.98: QG2 ILE 56 + H LEU 6 OK 98 98 100 100 4.5-4.6 9311=97, 3.2/8216=80...(11) QD2 LEU 29 - H LEU 6 far 0 75 0 - 5.4-6.4 QD1 ILE 7 - H LEU 6 far 0 99 0 - 6.6-7.1 Violated in 0 structures by 0.00 A. Peak 8233 from nnoeabs.peaks (1.37, 9.31, 126.92 ppm; 5.94 A increased from 5.59 A): 1 out of 6 assignments used, quality = 0.99: HB3 ARG 30 + H LEU 6 OK 99 100 100 99 5.5-5.9 8234/2.9=82, ~8696=60...(8) HG12 ILE 8 - H LEU 6 far 15 100 15 - 6.2-6.7 QB ALA 67 - H LEU 6 far 0 75 0 - 6.9-7.1 QB ALA 89 - H LEU 6 far 0 79 0 - 7.3-7.8 HB3 LEU 27 - H LEU 6 far 0 87 0 - 7.9-8.6 QB ALA 25 - H LEU 6 far 0 79 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 8237 from nnoeabs.peaks (8.94, 8.46, 119.78 ppm; 5.43 A): 1 out of 3 assignments used, quality = 0.99: H LEU 57 + H ILE 7 OK 99 99 100 100 4.5-4.8 9332/3.0=94, 10685=90...(13) H VAL 5 - H ILE 7 far 0 91 0 - 6.1-6.6 H ARG 19 - H ILE 7 far 0 59 0 - 7.3-8.1 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 = 1.00: H ARG 30 + H ILE 7 OK 100 100 100 100 3.7-3.9 6475=99, 8698/6072=75...(11) Violated in 0 structures by 0.00 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 2.8-2.9 8255/6080=49...(7) HA ARG 30 - H ILE 7 far 0 92 0 - 5.1-5.3 HA ILE 56 - H ILE 7 far 0 99 0 - 5.2-5.3 Violated in 0 structures by 0.00 A. Peak 8252 from nnoeabs.peaks (4.25, 8.46, 119.78 ppm; 5.80 A increased from 4.88 A): 1 out of 1 assignment used, quality = 1.00: HB THR 31 + H ILE 7 OK 100 100 100 100 5.2-5.5 2.1/6073=100...(5) Violated in 0 structures by 0.00 A. Peak 8269 from nnoeabs.peaks (1.84, 8.46, 119.78 ppm; 5.26 A): 2 out of 3 assignments used, quality = 1.00: HB3 LEU 57 + H ILE 7 OK 98 98 100 100 4.6-5.3 8272/3.0=86, 8284/4.5=65...(15) HB VAL 5 + H ILE 7 OK 78 85 95 97 5.2-5.7 4.4/6071=64...(6) HB ILE 93 - H ILE 7 far 0 71 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 8270 from nnoeabs.peaks (1.94, 8.46, 119.78 ppm; 5.35 A increased from 5.04 A): 1 out of 4 assignments used, quality = 0.66: HB VAL 32 + H ILE 7 OK 66 100 100 66 4.8-5.4 8728/8252=39...(4) HB3 ARG 19 - H ILE 7 far 0 99 0 - 8.3-9.3 HB2 GLU 37 - H ILE 7 far 0 59 0 - 8.6-9.3 HB3 LEU 14 - H ILE 7 far 0 65 0 - 9.4-10.3 Violated in 3 structures by 0.00 A. Peak 8288 from nnoeabs.peaks (1.19, 8.80, 128.92 ppm; 4.51 A): 1 out of 5 assignments used, quality = 0.99: HB2 LEU 57 + H ILE 8 OK 99 100 100 100 4.0-4.2 1.8/8289=85...(10) QB ALA 18 - H ILE 8 far 0 59 0 - 5.4-6.0 HB2 LEU 6 - H ILE 8 far 0 99 0 - 6.4-6.6 QG2 THR 34 - H ILE 8 far 0 97 0 - 9.6-10.3 HB2 LEU 29 - H ILE 8 far 0 79 0 - 9.8-10.5 Violated in 0 structures by 0.00 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 3.5-4.1 1.8/8288=70...(13) HB2 GLU 88 - H ILE 8 far 0 98 0 - 9.4-9.9 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 5.1-5.6 3.0/8298=95...(8) Violated in 1 structures by 0.00 A. Peak 8292 from nnoeabs.peaks (8.92, 8.80, 128.92 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: H LEU 57 + H ILE 8 OK 100 100 100 100 3.7-4.1 9331=96, 9332/6087=74...(13) H ARG 19 - H ILE 8 far 0 87 0 - 9.1-9.8 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 3.0-3.3 9374/6094=55, 2654=49...(10) Violated in 0 structures by 0.00 A. Peak 8314 from nnoeabs.peaks (1.14, 7.81, 116.36 ppm; 4.91 A increased from 4.62 A): 1 out of 3 assignments used, quality = 0.99: QG2 THR 31 + H SER 9 OK 99 100 100 99 4.4-4.9 10515=71, 6507/8346=60...(7) QG2 THR 34 - H SER 9 far 0 73 0 - 7.5-8.3 HB2 LEU 6 - H SER 9 far 0 63 0 - 9.2-9.4 Violated in 0 structures by 0.00 A. Peak 8315 from nnoeabs.peaks (1.53, 7.81, 116.36 ppm; 5.70 A increased from 5.07 A): 1 out of 5 assignments used, quality = 0.71: HG3 LYS 33 + H SER 9 OK 71 88 100 81 5.3-5.4 10146/8346=64, 8726/8337=45 HB ILE 7 - H SER 9 far 0 100 0 - 6.3-6.4 HG2 LYS 33 - H SER 9 far 0 91 0 - 7.0-7.2 HB2 LEU 14 - H SER 9 far 0 100 0 - 7.9-8.5 HG LEU 57 - H SER 9 far 0 84 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 8316 from nnoeabs.peaks (1.73, 7.81, 116.36 ppm; 5.43 A): 1 out of 7 assignments used, quality = 0.71: HG12 ILE 15 + H SER 9 OK 71 71 100 100 3.7-4.6 2.1/8436=83...(9) HD3 LYS 33 - H SER 9 far 0 100 0 - 6.1-7.3 HB ILE 15 - H SER 9 far 0 100 0 - 6.3-7.0 HD2 LYS 12 - H SER 9 far 0 84 0 - 7.2-10.7 HD2 LYS 33 - H SER 9 far 0 100 0 - 7.3-8.0 HD3 LYS 12 - H SER 9 far 0 84 0 - 7.5-10.3 HG3 ARG 19 - H SER 9 far 0 70 0 - 8.8-9.2 Violated in 0 structures by 0.00 A. Peak 8332 from nnoeabs.peaks (0.77, 8.65, 122.44 ppm; 3.97 A): 4 out of 16 assignments used, quality = 0.99: QD1 ILE 15 + H ASN 10 OK 81 83 100 97 3.9-4.3 8356/3.0=63, 8436/4.6=33...(13) QD1 ILE 93 + H ALA 18 OK 79 100 80 99 4.1-4.4 10020/2.9=74...(11) QD1 ILE 15 + H ASP 11 OK 60 63 100 96 2.9-3.5 8356/3.6=55, 8380/4.7=34...(15) HG13 ILE 15 + H ASP 11 OK 36 60 80 75 3.8-5.6 2.1/8439=28...(11) HG13 ILE 15 - H ASN 10 far 0 80 0 - 4.9-5.8 QG2 ILE 7 - H ALA 18 far 0 73 0 - 5.0-5.4 QG2 ILE 8 - H ASN 10 far 0 73 0 - 5.2-5.7 HG13 ILE 15 - H ALA 18 far 0 98 0 - 5.8-6.2 QG2 ILE 7 - H ASP 11 far 0 40 0 - 6.2-6.9 QG2 ILE 7 - H ASN 10 far 0 55 0 - 6.4-6.7 QD1 ILE 15 - H ALA 18 far 0 100 0 - 6.4-6.7 HG13 ILE 93 - H ALA 18 far 0 88 0 - 6.6-7.4 QG2 ILE 8 - H ASP 11 far 0 53 0 - 6.6-7.1 QG2 ILE 93 - H ALA 18 far 0 96 0 - 6.7-7.1 QD2 LEU 57 - H ALA 18 far 0 79 0 - 7.6-9.1 QD1 LEU 27 - H ALA 18 far 0 100 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 8333 from nnoeabs.peaks (0.67, 8.65, 122.44 ppm; 4.18 A): 2 out of 13 assignments used, quality = 0.53: QD2 LEU 14 + H ASN 10 OK 34 44 90 86 4.1-4.5 8317/3.6=40, 8414/4.6=23...(12) QD2 LEU 14 + H ASP 11 OK 29 31 100 92 3.6-4.2 3.1/8397=34, 3.1/8370=24...(15) QD1 LEU 29 - H ALA 18 far 10 96 10 - 4.3-4.9 QD2 LEU 14 - H ALA 18 far 0 59 0 - 4.7-5.2 QD2 LEU 29 - H ALA 18 far 0 82 0 - 5.0-5.8 QD1 LEU 14 - H ASP 11 far 0 62 0 - 5.0-5.4 QD1 LEU 14 - H ASN 10 far 0 83 0 - 5.4-5.9 QD1 LEU 14 - H ALA 18 far 0 99 0 - 5.7-6.1 QD1 ILE 8 - H ASN 10 far 0 42 0 - 8.1-8.3 QG2 VAL 58 - H ASN 10 far 0 84 0 - 8.5-9.3 QD1 ILE 8 - H ASP 11 far 0 30 0 - 9.3-9.6 QG2 VAL 58 - H ASP 11 far 0 63 0 - 9.7-10.3 QD2 LEU 29 - H ASP 11 far 0 46 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 8334 from nnoeabs.peaks (1.33, 8.65, 122.44 ppm; 4.55 A): 2 out of 9 assignments used, quality = 1.00: QB ALA 89 + H ALA 18 OK 98 100 100 98 3.8-4.1 9940=74, 12030/2.9=69...(7) HG LEU 14 + H ALA 18 OK 83 96 90 96 4.5-4.9 587/6262=51, ~12013=46...(11) HG LEU 14 - H ASP 11 far 0 57 0 - 6.4-6.7 HG LEU 14 - H ASN 10 far 0 77 0 - 7.2-7.5 QB ALA 89 - H ASP 11 far 0 63 0 - 8.2-8.7 QB ALA 89 - H ASN 10 far 0 84 0 - 8.7-9.2 HG12 ILE 8 - H ASN 10 far 0 60 0 - 8.8-9.0 QB ALA 25 - H ALA 18 far 0 100 0 - 9.1-9.8 HG12 ILE 8 - H ASP 11 far 0 43 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 8335 from nnoeabs.peaks (1.71, 8.65, 122.44 ppm; 5.58 A increased from 4.96 A): 7 out of 30 assignments used, quality = 1.00: HB ILE 15 + H ALA 18 OK 93 93 100 100 5.4-5.7 3.0/6263=89...(10) HD3 LYS 90 + H ALA 18 OK 84 97 90 96 4.6-7.5 10433/6269=84...(5) HG12 ILE 15 + H ASP 11 OK 50 56 100 89 4.4-5.9 2.1/8439=49, ~8448=28...(7) HG12 ILE 15 + H ASN 10 OK 49 76 65 100 5.0-6.1 ~8356=70, 8320/4.6=66...(9) HD2 LYS 20 + H ALA 18 OK 41 71 80 72 4.6-6.7 5.9/6296=50, 447/6259=20...(5) HG3 LYS 20 + H ALA 18 OK 36 65 80 68 5.1-7.2 4.9/6296=61, 894/3.6=11 HD3 LYS 20 + H ALA 18 OK 22 65 55 60 5.0-7.4 5.9/6296=50, 905/3.6=12...(4) HB ILE 15 - H ASP 11 poor 19 54 35 - 5.7-6.2 HD3 LYS 12 - H ASP 11 poor 12 61 35 56 5.0-8.4 6156/4.7=43, 10396/8439=22 HD2 LYS 12 - H ASP 11 poor 10 61 40 40 4.9-9.0 437/4.7=27, 10396/8439=16 HG12 ILE 15 - H ALA 18 far 0 95 0 - 6.0-6.6 HD2 LYS 12 - H ASN 10 far 0 82 0 - 6.2-10.3 HD2 LYS 90 - H ALA 18 far 0 79 0 - 6.2-7.5 HD3 LYS 12 - H ASN 10 far 0 82 0 - 6.3-9.9 HB ILE 15 - H ASN 10 far 0 74 0 - 7.0-7.4 HG2 PRO 86 - H ALA 18 far 0 94 0 - 7.1-7.7 HD3 LYS 33 - H ASN 10 far 0 79 0 - 7.5-8.8 HD2 LYS 13 - H ASP 11 far 0 61 0 - 7.8-10.0 HD3 LYS 13 - H ALA 18 far 0 99 0 - 7.8-10.9 HD2 LYS 13 - H ALA 18 far 0 99 0 - 7.9-11.0 HD3 LYS 33 - H ASP 11 far 0 59 0 - 8.0-9.4 HD3 LYS 12 - H ALA 18 far 0 99 0 - 8.1-11.4 HD3 LYS 13 - H ASP 11 far 0 62 0 - 8.5-10.1 HD2 LYS 33 - H ASN 10 far 0 79 0 - 8.9-9.8 HD2 LYS 12 - H ALA 18 far 0 99 0 - 9.0-10.9 HG2 PRO 86 - H ASP 11 far 0 55 0 - 9.2-10.8 HD2 LYS 24 - H ALA 18 far 0 96 0 - 9.2-11.7 HD3 LYS 24 - H ALA 18 far 0 97 0 - 9.3-12.6 HD2 LYS 13 - H ASN 10 far 0 82 0 - 9.4-11.9 HD2 LYS 33 - H ASP 11 far 0 59 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 8337 from nnoeabs.peaks (4.23, 7.81, 116.36 ppm; 5.90 A increased from 5.55 A): 1 out of 1 assignment used, quality = 0.98: HB THR 31 + H SER 9 OK 98 98 100 100 5.1-5.6 2.1/8314=95...(6) Violated in 0 structures by 0.00 A. Peak 8338 from nnoeabs.peaks (4.91, 7.81, 116.36 ppm; 4.96 A): 1 out of 4 assignments used, quality = 0.80: HA ASN 10 + H SER 9 OK 80 84 100 96 4.6-4.6 ~6114=50, ~333=48...(6) HA THR 31 - H SER 9 far 0 87 0 - 5.4-5.8 HA ILE 56 - H SER 9 far 0 71 0 - 9.0-9.3 HA ARG 30 - H SER 9 far 0 100 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 8339 from nnoeabs.peaks (5.14, 7.81, 116.36 ppm; 5.79 A increased from 5.45 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 7 + H SER 9 OK 100 100 100 100 5.6-5.6 6087/6101=94...(8) Violated in 0 structures by 0.00 A. Peak 8340 from nnoeabs.peaks (6.07, 7.81, 116.36 ppm; 5.44 A): 1 out of 1 assignment used, quality = 0.99: HG SER 9 + H SER 9 OK 99 99 100 100 4.4-5.0 5.0=100 Violated in 0 structures by 0.00 A. Peak 8346 from nnoeabs.peaks (8.49, 7.81, 116.36 ppm; 4.63 A increased from 4.35 A): 1 out of 3 assignments used, quality = 0.98: H VAL 32 + H SER 9 OK 98 98 100 100 4.3-4.4 10516=75, 10147/6102=70...(11) H ILE 7 - H SER 9 far 0 70 0 - 6.4-6.5 H THR 31 - H SER 9 far 0 100 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. Peak 8350 from nnoeabs.peaks (6.06, 8.64, 122.61 ppm; 4.26 A): 1 out of 2 assignments used, quality = 0.97: HG SER 9 + H ASN 10 OK 97 100 100 97 2.2-3.3 2.8/6115=67, 4.1/6114=63...(8) HG SER 9 - H ALA 18 far 0 85 0 - 8.1-10.3 Violated in 0 structures by 0.00 A. Peak 8369 from nnoeabs.peaks (0.71, 8.67, 122.72 ppm; 4.42 A increased from 3.93 A): 1 out of 9 assignments used, quality = 1.00: QD2 LEU 14 + H ASP 11 OK 100 100 100 100 3.6-4.2 3.1/8370=67, 8400=60...(15) QD2 LEU 14 - H ALA 18 far 3 64 5 - 4.7-5.2 QD1 LEU 14 - H ASP 11 far 0 77 0 - 5.0-5.4 QD1 LEU 14 - H ALA 18 far 0 42 0 - 5.7-6.1 QG1 VAL 5 - H ALA 18 far 0 54 0 - 6.6-7.4 HG13 ILE 93 - H ALA 18 far 0 35 0 - 6.6-7.4 QD1 ILE 8 - H ASP 11 far 0 100 0 - 9.3-9.6 QG1 VAL 58 - H ASP 11 far 0 98 0 - 9.4-9.8 QG2 VAL 58 - H ASP 11 far 0 73 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 8370 from nnoeabs.peaks (1.90, 8.67, 122.72 ppm; 4.06 A): 1 out of 16 assignments used, quality = 0.98: HB3 LEU 14 + H ASP 11 OK 98 100 100 98 3.9-4.1 3.1/8369=52...(15) HB3 ARG 19 - H ALA 18 far 0 45 0 - 4.4-4.8 HB3 LYS 20 - H ALA 18 far 0 38 0 - 5.2-7.4 HB2 ARG 19 - H ALA 18 far 0 62 0 - 5.9-6.2 HB2 LYS 13 - H ASP 11 far 0 96 0 - 6.0-6.4 HB3 LEU 14 - H ALA 18 far 0 64 0 - 6.1-6.3 HB3 LYS 12 - H ASP 11 far 0 68 0 - 6.5-6.6 HB2 LYS 20 - H ALA 18 far 0 60 0 - 6.6-7.2 HB2 LYS 12 - H ASP 11 far 0 63 0 - 7.3-7.4 HB3 LYS 13 - H ALA 18 far 0 59 0 - 7.3-7.8 HB3 LYS 13 - H ASP 11 far 0 98 0 - 7.4-7.9 HB2 LYS 13 - H ALA 18 far 0 58 0 - 7.9-8.4 HB2 LYS 12 - H ALA 18 far 0 33 0 - 8.3-8.9 HB ILE 8 - H ASP 11 far 0 100 0 - 8.4-9.0 HB3 LYS 33 - H ASP 11 far 0 97 0 - 8.7-9.5 HB3 LYS 12 - H ALA 18 far 0 36 0 - 9.4-9.9 Violated in 1 structures by 0.00 A. Peak 8371 from nnoeabs.peaks (1.52, 8.67, 122.72 ppm; 5.37 A increased from 5.06 A): 1 out of 9 assignments used, quality = 1.00: HB2 LEU 14 + H ASP 11 OK 100 100 100 100 5.0-5.5 1.8/8370=99, 8397=95...(11) HB ILE 7 - H ALA 18 far 0 64 0 - 5.8-6.2 HB2 LEU 14 - H ALA 18 far 0 64 0 - 6.4-6.6 HG3 LYS 13 - H ASP 11 far 0 84 0 - 7.0-8.2 HG LEU 57 - H ALA 18 far 0 51 0 - 7.6-8.6 HG3 LYS 33 - H ASP 11 far 0 93 0 - 8.6-9.2 HG3 LYS 13 - H ALA 18 far 0 47 0 - 9.1-9.8 HB ILE 7 - H ASP 11 far 0 100 0 - 9.1-10.0 HG3 LYS 24 - H ALA 18 far 0 58 0 - 9.4-12.4 Violated in 2 structures by 0.01 A. Peak 8372 from nnoeabs.peaks (6.07, 8.67, 122.72 ppm; 3.73 A): 1 out of 2 assignments used, quality = 0.94: HG SER 9 + H ASP 11 OK 94 100 100 94 2.0-3.6 2.8/10388=45...(10) HG SER 9 - H ALA 18 far 0 63 0 - 8.1-10.3 Violated in 0 structures by 0.00 A. Peak 8380 from nnoeabs.peaks (0.75, 8.56, 125.74 ppm; 4.33 A): 1 out of 3 assignments used, quality = 1.00: QD1 ILE 15 + H LYS 12 OK 100 100 100 100 3.2-4.0 8381/2.9=82, 8438=52...(23) HG13 ILE 15 - H LYS 12 far 0 100 0 - 5.2-6.8 QG2 ILE 8 - H LYS 12 far 0 71 0 - 9.6-10.1 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 4.3-4.9 8381/3.6=88...(11) HG13 ILE 15 - H LYS 13 far 10 100 10 - 5.3-7.1 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 = 0.63: QD1 ILE 15 + H LYS 13 OK 63 68 100 93 4.3-4.9 8381/3.6=52...(11) HG13 ILE 15 - H LYS 13 far 4 77 5 - 5.3-7.1 QD2 LEU 14 - H LYS 13 far 0 96 0 - 5.7-6.2 Violated in 0 structures by 0.00 A. Peak 8389 from nnoeabs.peaks (3.67, 8.07, 119.60 ppm; 5.65 A increased from 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=100...(5) Violated in 0 structures by 0.00 A. Peak 8390 from nnoeabs.peaks (4.62, 8.07, 119.60 ppm; 4.68 A): 1 out of 1 assignment used, quality = 0.86: HA ASP 11 + H LYS 13 OK 86 87 100 99 3.5-3.8 3.6/6163=77, 3.0/6171=51...(10) Violated in 0 structures by 0.00 A. Peak 8394 from nnoeabs.peaks (8.68, 7.55, 122.27 ppm; 5.45 A): 1 out of 3 assignments used, quality = 0.99: H ASP 11 + H LEU 14 OK 99 99 100 100 4.6-4.9 8370/602=82...(11) H ALA 18 - H LEU 14 far 0 84 0 - 6.2-6.5 H ASN 10 - H LEU 14 far 0 57 0 - 6.3-6.8 Violated in 0 structures by 0.00 A. Peak 8418 from nnoeabs.peaks (2.45, 7.55, 122.27 ppm; 4.77 A): 1 out of 2 assignments used, quality = 0.91: HB2 ASP 11 + H LEU 14 OK 91 91 100 100 3.2-4.1 1.8/12269=89, 8377=61...(13) HG3 GLU 17 - H LEU 14 far 9 87 10 - 5.0-7.4 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 4.5-4.7 3.0/12269=92...(10) HA THR 84 - H LEU 14 far 0 90 0 - 9.0-9.3 HA ILE 8 - H LEU 14 far 0 99 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 8460 from nnoeabs.peaks (1.23, 8.07, 118.21 ppm; 4.63 A increased from 4.11 A): 2 out of 3 assignments used, quality = 0.97: QB ALA 18 + H GLU 17 OK 93 93 100 100 4.4-4.6 2.9/6266=85...(11) QB ALA 18 + H ILE 15 OK 60 100 60 100 4.7-5.2 643/3.0=85...(11) HB2 LEU 57 - H ILE 15 far 0 75 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 8461 from nnoeabs.peaks (2.99, 8.07, 118.21 ppm; 4.49 A): 2 out of 15 assignments used, quality = 0.99: HB3 ASP 11 + H ILE 15 OK 96 100 100 97 3.7-4.5 12269/6209=60...(10) HB2 SER 9 + H ILE 15 OK 64 100 65 99 4.1-5.7 8414/6215=69...(10) HE3 LYS 12 - H ILE 15 far 4 90 5 - 4.3-8.3 HE2 LYS 12 - H ILE 15 far 0 92 0 - 5.3-8.2 HE2 LYS 13 - H GLU 17 far 0 72 0 - 5.4-9.9 HE3 LYS 13 - H GLU 17 far 0 69 0 - 5.9-9.9 HE3 LYS 12 - H GLU 17 far 0 79 0 - 6.4-11.3 HE3 LYS 13 - H ILE 15 far 0 79 0 - 6.5-9.4 HE2 LYS 13 - H ILE 15 far 0 82 0 - 6.5-9.6 HB3 ASP 11 - H GLU 17 far 0 92 0 - 7.1-7.6 HB2 SER 9 - H GLU 17 far 0 93 0 - 8.0-9.1 HE2 LYS 12 - H GLU 17 far 0 82 0 - 8.0-10.9 HE3 LYS 33 - H ILE 15 far 0 71 0 - 8.4-11.8 HE2 LYS 33 - H ILE 15 far 0 71 0 - 8.7-10.6 HE3 LYS 24 - H GLU 17 far 0 75 0 - 9.8-14.7 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 4.7-5.1 643/3.6=90, 2.9/6264=89...(11) 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 = 0.82: HG13 ILE 76 + H ARG 46 OK 58 58 100 100 4.6-5.5 2.1/9630=87, ~9639=62...(17) HG2 LYS 12 + H GLU 16 OK 43 99 45 95 4.9-6.4 8468/684=66, 384/6225=55...(5) HG2 LYS 47 + H ARG 46 OK 27 33 100 82 3.6-5.5 4.9/6761=69, 3.0/8475=16...(6) HG2 LYS 13 - H GLU 16 far 0 88 0 - 6.0-7.4 HG2 LYS 20 - H GLU 16 far 0 100 0 - 6.2-8.0 HG13 ILE 52 - H ARG 46 far 0 65 0 - 7.4-7.8 HG12 ILE 7 - H GLU 16 far 0 79 0 - 8.0-8.2 QB ALA 22 - H GLU 16 far 0 94 0 - 8.3-8.7 HG3 LYS 39 - H ARG 46 far 0 61 0 - 8.4-9.8 HG LEU 29 - H GLU 16 far 0 94 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 8474 from nnoeabs.peaks (1.52, 8.02, 118.48 ppm; 5.42 A): 1 out of 5 assignments used, quality = 0.34: HG2 LYS 47 + H ARG 46 OK 34 39 100 86 3.6-5.5 4.9/6761=72...(6) HG3 LYS 13 - H GLU 16 far 0 82 0 - 5.8-6.7 HB2 LEU 14 - H GLU 16 far 0 100 0 - 5.9-6.3 HB ILE 7 - H GLU 16 far 0 100 0 - 7.7-8.1 HG LEU 6 - H ARG 46 far 0 65 0 - 9.2-10.1 Violated in 2 structures by 0.00 A. Peak 8475 from nnoeabs.peaks (1.90, 8.02, 118.48 ppm; 4.80 A increased from 4.04 A): 3 out of 13 assignments used, quality = 0.76: HB2 LYS 12 + H GLU 16 OK 49 71 100 68 4.2-4.6 3.0/6225=52, 3.0/8473=20 HB3 ARG 19 + H GLU 16 OK 39 73 55 97 4.6-5.3 6285/10416=57...(8) HB3 LYS 47 + H ARG 46 OK 23 47 55 91 4.8-5.2 4.0/6761=73, 3.0/8474=55...(4) HB3 LEU 14 - H GLU 16 far 10 100 10 - 5.0-5.4 HB2 GLU 43 - H ARG 46 far 0 63 0 - 5.2-5.7 HB3 LYS 13 - H GLU 16 far 0 95 0 - 5.3-5.9 HB3 LYS 12 - H GLU 16 far 0 75 0 - 5.4-5.7 HB2 LYS 13 - H GLU 16 far 0 93 0 - 5.5-5.9 HB2 ARG 19 - H GLU 16 far 0 100 0 - 6.2-6.8 HG LEU 42 - H ARG 46 far 0 65 0 - 6.3-7.0 HB3 LYS 20 - H GLU 16 far 0 63 0 - 6.9-9.2 HB2 LYS 20 - H GLU 16 far 0 99 0 - 7.3-9.1 HB VAL 54 - H ARG 46 far 0 61 0 - 7.7-8.5 Violated in 0 structures by 0.00 A. Peak 8476 from nnoeabs.peaks (1.97, 8.02, 118.48 ppm; 4.41 A): 2 out of 11 assignments used, quality = 0.87: 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 2.1-3.4 4.0=100 HB3 ARG 19 - H GLU 16 far 9 59 15 - 4.6-5.3 HB3 GLU 17 - H GLU 16 far 6 61 10 - 4.6-5.1 HB2 GLU 44 - H ARG 46 far 2 41 5 - 4.7-5.3 QE MET 74 - H ARG 46 far 0 39 0 - 4.8-5.5 HB3 GLU 44 - H ARG 46 far 0 41 0 - 5.4-6.1 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 - 6.4-7.9 HB3 LYS 20 - H GLU 16 far 0 70 0 - 6.9-9.2 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 - 8.8-9.7 H VAL 32 - H ARG 19 far 0 77 0 - 9.4-10.3 Violated in 20 structures by 2.81 A. Peak 8500 from nnoeabs.peaks (8.31, 8.90, 118.56 ppm; 6.43 A increased from 5.71 A): 1 out of 1 assignment used, quality = 0.70: H GLU 23 + H ARG 19 OK 70 71 100 98 6.0-6.4 3.6/8506=90...(4) Violated in 1 structures by 0.00 A. Peak 8504 from nnoeabs.peaks (0.80, 8.90, 118.56 ppm; 4.00 A): 1 out of 7 assignments used, quality = 0.97: QG2 ILE 15 + H ARG 19 OK 97 97 100 100 3.6-4.0 10415=66, 8530/6278=52...(16) QD1 ILE 93 - H ARG 19 poor 20 84 25 94 4.2-4.7 10020/6283=56...(7) QG2 ILE 7 - H ARG 19 far 0 100 0 - 4.5-5.0 QD1 ILE 15 - H ARG 19 far 0 65 0 - 6.6-6.8 QD2 LEU 57 - H ARG 19 far 0 100 0 - 8.0-9.9 QD1 LEU 57 - H ARG 19 far 0 73 0 - 8.7-9.2 QD1 LEU 27 - H ARG 19 far 0 82 0 - 9.1-9.8 Violated in 1 structures by 0.00 A. Peak 8505 from nnoeabs.peaks (0.65, 8.90, 118.56 ppm; 3.75 A increased from 3.53 A): 2 out of 5 assignments used, quality = 1.00: QD2 LEU 29 + H ARG 19 OK 100 100 100 100 3.3-4.0 8693=72, 8685/3.0=60...(22) QD1 LEU 29 + H ARG 19 OK 100 100 100 100 3.1-3.8 8691=64, 8672/6283=61...(25) QD1 ILE 7 - H ARG 19 poor 16 82 20 - 4.0-5.5 QD1 LEU 14 - H ARG 19 far 0 77 0 - 7.6-8.0 QD2 LEU 6 - H ARG 19 far 0 59 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 8506 from nnoeabs.peaks (1.45, 8.90, 118.56 ppm; 4.73 A increased from 4.45 A): 1 out of 7 assignments used, quality = 0.97: QB ALA 22 + H ARG 19 OK 97 98 100 100 4.3-4.7 787/3.0=58...(14) HG2 LYS 20 - H ARG 19 poor 20 99 20 - 3.6-6.5 HG LEU 29 - H ARG 19 far 0 98 0 - 5.9-6.5 HG12 ILE 7 - H ARG 19 far 0 87 0 - 6.7-7.2 HG2 LYS 12 - H ARG 19 far 0 100 0 - 8.6-10.4 HB2 LEU 27 - H ARG 19 far 0 99 0 - 9.5-10.1 HG2 LYS 13 - H ARG 19 far 0 94 0 - 10.0-11.6 Violated in 1 structures by 0.00 A. Peak 8526 from nnoeabs.peaks (1.24, 7.79, 118.64 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.98: QB ALA 18 + H LYS 20 OK 98 98 100 100 4.4-5.0 6283/6291=87, 8495=75...(14) Violated in 3 structures by 0.00 A. Peak 8527 from nnoeabs.peaks (0.77, 7.79, 118.64 ppm; 5.66 A increased from 5.33 A): 2 out of 9 assignments used, quality = 1.00: QD1 ILE 93 + H LYS 20 OK 100 100 100 100 5.0-5.8 8562/6315=75...(8) QG2 ILE 15 + H LYS 20 OK 63 68 95 99 5.4-6.0 8516/4.1=63...(9) QG2 ILE 93 - H LYS 20 far 0 87 0 - 6.4-6.9 QG2 ILE 7 - H LYS 20 far 0 87 0 - 6.8-7.4 QD1 ILE 15 - H LYS 20 far 0 96 0 - 8.3-8.8 HG13 ILE 93 - H LYS 20 far 0 75 0 - 8.4-9.2 HG13 ILE 15 - H LYS 20 far 0 92 0 - 8.9-9.3 QD1 LEU 27 - H LYS 20 far 0 100 0 - 9.4-10.1 QD2 LEU 57 - H LYS 20 far 0 91 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 8528 from nnoeabs.peaks (0.66, 7.79, 118.64 ppm; 5.16 A increased from 4.86 A): 2 out of 4 assignments used, quality = 1.00: QD1 LEU 29 + H LYS 20 OK 100 100 100 100 4.7-5.1 8691/6291=78...(14) QD2 LEU 29 + H LYS 20 OK 88 98 90 100 4.9-5.5 8685/3.6=82...(13) QD1 ILE 7 - H LYS 20 far 0 68 0 - 6.2-7.8 QD1 LEU 14 - H LYS 20 far 0 90 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 8550 from nnoeabs.peaks (3.67, 7.68, 118.10 ppm; 5.74 A increased from 5.40 A): 1 out of 2 assignments used, quality = 1.00: HA LYS 90 + H MET 21 OK 100 100 100 100 4.8-5.4 9948/6333=94...(10) HA LEU 14 - H MET 21 far 0 96 0 - 8.7-9.2 Violated in 0 structures by 0.00 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 4.6-5.1 2.1/6321=92, 8496=80...(11) Violated in 3 structures by 0.01 A. Peak 8561 from nnoeabs.peaks (1.31, 7.68, 118.10 ppm; 5.51 A increased from 5.19 A): 1 out of 6 assignments used, quality = 0.83: HG2 LYS 90 + H MET 21 OK 83 84 100 99 4.5-5.5 1.8/10441=89...(7) QB ALA 89 - H MET 21 far 0 84 0 - 6.0-6.6 QB ALA 25 - H MET 21 far 0 84 0 - 6.2-6.7 HG LEU 14 - H MET 21 far 0 63 0 - 9.0-9.5 HG2 LYS 94 - H MET 21 far 0 84 0 - 9.1-11.3 HB3 LEU 27 - H MET 21 far 0 75 0 - 9.8-11.0 Violated in 1 structures by 0.00 A. Peak 8562 from nnoeabs.peaks (0.76, 7.68, 118.10 ppm; 4.43 A increased from 4.17 A): 1 out of 8 assignments used, quality = 0.98: QD1 ILE 93 + H MET 21 OK 98 98 100 100 3.7-4.5 8480/6319=64...(19) QG2 ILE 93 - H MET 21 far 5 100 5 - 4.6-5.2 HG13 ILE 93 - H MET 21 far 0 98 0 - 6.7-7.6 QG1 VAL 5 - H MET 21 far 0 77 0 - 7.0-7.9 QD1 LEU 27 - H MET 21 far 0 98 0 - 7.8-8.6 QD2 LEU 57 - H MET 21 far 0 59 0 - 9.2-10.8 QD2 LEU 27 - H MET 21 far 0 82 0 - 9.7-10.2 QD1 ILE 15 - H MET 21 far 0 100 0 - 9.9-10.5 Violated in 2 structures by 0.01 A. Peak 8567 from nnoeabs.peaks (0.77, 8.81, 122.15 ppm; 3.57 A): 2 out of 7 assignments used, quality = 1.00: QD1 ILE 93 + H ALA 22 OK 99 100 100 99 2.7-3.8 10327/6353=55, 11004=44...(24) QG2 ILE 93 + H ALA 22 OK 87 88 100 99 2.7-3.4 8575/3.0=41, 11002=38...(21) HG13 ILE 93 - H ALA 22 far 0 77 0 - 5.5-6.2 QD1 LEU 27 - H ALA 22 far 0 100 0 - 5.7-6.4 QG2 ILE 15 - H ALA 22 far 0 65 0 - 7.2-7.7 QG2 ILE 7 - H ALA 22 far 0 85 0 - 7.3-7.7 QD2 LEU 57 - H ALA 22 far 0 90 0 - 7.9-9.6 Violated in 0 structures by 0.00 A. Peak 8568 from nnoeabs.peaks (0.65, 8.81, 122.15 ppm; 4.12 A): 1 out of 5 assignments used, quality = 1.00: QD1 LEU 29 + H ALA 22 OK 100 100 100 100 3.2-3.5 8690=61, 8672/8569=48...(21) QD2 LEU 29 - H ALA 22 far 0 99 0 - 4.7-5.2 QD1 ILE 7 - H ALA 22 far 0 77 0 - 6.6-8.5 QD2 LEU 6 - H ALA 22 far 0 65 0 - 9.8-10.3 QD1 LEU 14 - H ALA 22 far 0 82 0 - 10.0-10.5 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 4.4-4.7 8672/8568=71...(8) Violated in 3 structures by 0.00 A. Peak 8570 from nnoeabs.peaks (1.36, 8.81, 122.15 ppm; 5.10 A increased from 4.53 A): 1 out of 6 assignments used, quality = 0.89: QB ALA 25 + H ALA 22 OK 89 90 100 100 4.5-5.1 2.9/8604=68...(13) QB ALA 89 - H ALA 22 far 0 90 0 - 6.3-6.7 HB3 LEU 27 - H ALA 22 far 0 95 0 - 7.1-8.2 HG3 LYS 94 - H ALA 22 far 0 92 0 - 8.4-10.3 HG2 LYS 94 - H ALA 22 far 0 90 0 - 8.8-10.8 HG LEU 14 - H ALA 22 far 0 99 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 8571 from nnoeabs.peaks (1.61, 8.81, 122.15 ppm; 5.24 A increased from 4.93 A): 1 out of 7 assignments used, quality = 0.97: HB3 LEU 29 + H ALA 22 OK 97 97 100 100 4.8-5.2 8581/6353=94...(17) HG3 LYS 90 - H ALA 22 far 0 84 0 - 5.9-6.6 HG2 LYS 24 - H ALA 22 far 0 87 0 - 6.1-8.1 HG2 ARG 19 - H ALA 22 far 0 85 0 - 6.1-7.0 HG LEU 27 - H ALA 22 far 0 98 0 - 6.8-7.4 HD2 LYS 94 - H ALA 22 far 0 97 0 - 8.7-10.0 HD3 LYS 94 - H ALA 22 far 0 98 0 - 9.3-11.3 Violated in 1 structures by 0.00 A. Peak 8591 from nnoeabs.peaks (7.86, 7.57, 119.96 ppm; 4.76 A): 1 out of 1 assignment used, quality = 0.96: H ASN 26 + H LYS 24 OK 96 96 100 100 3.8-4.0 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; 4.31 A increased from 3.83 A): 2 out of 7 assignments used, quality = 1.00: QB ALA 25 + H LYS 24 OK 100 100 100 100 4.0-4.3 8607=94, 6408/6397=85...(10) QB ALA 89 + H GLU 88 OK 100 100 100 100 4.1-4.4 7407/7397=86, 9937=68...(14) HG LEU 14 - H GLU 88 far 0 96 0 - 6.0-6.7 HB3 LEU 27 - H LYS 24 far 0 99 0 - 7.9-8.6 HG2 LYS 94 - H GLU 88 far 0 100 0 - 9.1-11.9 QB ALA 89 - H LYS 24 far 0 100 0 - 9.4-9.7 HG2 LYS 94 - H LYS 24 far 0 100 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 8593 from nnoeabs.peaks (0.76, 7.57, 119.96 ppm; 5.80 A): 1 out of 12 assignments used, quality = 0.99: QG2 ILE 93 + H LYS 24 OK 99 99 100 100 4.8-5.2 10320/8607=78...(10) QD1 ILE 93 - H LYS 24 far 10 99 10 - 5.9-6.9 QD1 LEU 27 - H LYS 24 far 0 99 0 - 6.2-6.9 QD1 ILE 93 - H GLU 88 far 0 98 0 - 6.7-7.7 QD2 LEU 27 - H LYS 24 far 0 79 0 - 7.2-7.6 QG1 VAL 5 - H LYS 24 far 0 73 0 - 8.1-8.9 QD2 LEU 57 - H GLU 88 far 0 63 0 - 8.2-8.5 HG13 ILE 93 - H GLU 88 far 0 96 0 - 8.4-9.2 HG3 ARG 81 - H GLU 88 far 0 92 0 - 8.5-11.3 HG13 ILE 93 - H LYS 24 far 0 96 0 - 8.9-9.4 QG1 VAL 5 - H GLU 88 far 0 72 0 - 9.3-10.1 QG2 ILE 93 - H GLU 88 far 0 99 0 - 9.6-9.9 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 LYS 90 - H GLU 88 far 0 100 0 - 6.8-7.1 HA LEU 14 - H GLU 88 far 0 94 0 - 6.9-7.4 HA LYS 90 - H LYS 24 far 0 100 0 - 8.0-8.3 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 4 assignments used, quality = 0.99: HB2 SER 85 + H GLU 88 OK 99 99 100 100 2.8-4.2 9845=66, 1.8/9847=58...(14) HA ALA 89 - H GLU 88 far 0 100 0 - 5.2-5.4 HA ARG 91 - H GLU 88 far 0 99 0 - 7.3-7.7 HA LYS 94 - H LYS 24 far 0 77 0 - 7.3-8.1 Violated in 1 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 4.8-5.0 3.0/8599=89, 3.0/9847=78...(13) Violated in 0 structures by 0.00 A. Peak 8602 from nnoeabs.peaks (0.69, 7.57, 119.96 ppm; 5.45 A): 1 out of 6 assignments used, quality = 0.98: QD1 LEU 14 + H GLU 88 OK 98 98 100 100 4.5-4.9 9925/7397=83...(15) QD1 LEU 29 - H LYS 24 far 0 70 0 - 6.3-6.7 QD2 LEU 14 - H GLU 88 far 0 90 0 - 6.6-7.1 QG1 VAL 5 - H LYS 24 far 0 59 0 - 8.1-8.9 QG1 VAL 5 - H GLU 88 far 0 58 0 - 9.3-10.1 QD1 LEU 29 - H GLU 88 far 0 69 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 8603 from nnoeabs.peaks (1.83, 7.57, 119.96 ppm; 3.66 A): 1 out of 8 assignments used, quality = 0.89: HB2 GLU 88 + H GLU 88 OK 89 89 100 100 2.3-2.7 3.9=85, 1.8/3879=70...(14) HB2 LYS 90 - H GLU 88 far 0 92 0 - 5.1-5.5 HB3 LYS 90 - H GLU 88 far 0 100 0 - 6.8-7.2 HB ILE 93 - H LYS 24 far 0 81 0 - 7.0-7.4 HB3 LYS 90 - H LYS 24 far 0 100 0 - 8.5-8.7 HB VAL 5 - H LYS 24 far 0 77 0 - 8.9-9.6 HB ILE 93 - H GLU 88 far 0 80 0 - 9.2-9.5 HB3 LEU 57 - H GLU 88 far 0 99 0 - 9.3-9.6 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...(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 3.8-4.0 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 5 assignments used, quality = 0.97: HA ALA 22 + H ASN 26 OK 97 98 100 100 4.6-5.1 6394/6409=81...(13) HA LYS 94 - H ASN 26 far 0 84 0 - 7.5-8.0 HA SER 97 - H ASN 26 far 0 88 0 - 7.7-8.5 HA ARG 19 - H ASN 26 far 0 77 0 - 8.7-9.2 HB3 SER 102 - H ASN 26 far 0 79 0 - 9.7-20.8 Violated in 2 structures by 0.00 A. Peak 8609 from nnoeabs.peaks (4.13, 7.84, 115.27 ppm; 3.70 A): 2 out of 2 assignments used, quality = 0.98: HA GLU 23 + H ASN 26 OK 94 99 100 96 3.3-3.7 8637/6419=51...(8) HA LYS 24 + H ASN 26 OK 65 70 100 94 3.6-3.8 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): 1 out of 4 assignments used, quality = 1.00: QE MET 21 + H ALA 25 OK 100 100 100 100 3.4-3.9 8551/2.9=83, 993=63...(11) HB2 GLU 23 - H ALA 25 far 0 99 0 - 5.3-5.6 HG3 GLU 28 - H ALA 25 far 0 71 0 - 9.6-11.5 HG2 GLU 28 - H ALA 25 far 0 71 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 8613 from nnoeabs.peaks (0.76, 7.71, 119.26 ppm; 4.45 A increased from 4.19 A): 2 out of 6 assignments used, quality = 0.99: QG2 ILE 93 + H ALA 25 OK 99 99 100 99 3.8-4.3 10320/6408=74...(13) QD1 LEU 27 + H ALA 25 OK 54 99 55 99 4.4-5.1 ~8622=49, 4.7/10489=47...(12) QD2 LEU 27 - H ALA 25 far 0 77 0 - 5.3-5.8 QD1 ILE 93 - H ALA 25 far 0 99 0 - 5.9-6.9 QG1 VAL 5 - H ALA 25 far 0 71 0 - 7.6-8.4 HG13 ILE 93 - H ALA 25 far 0 96 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 8616 from nnoeabs.peaks (0.76, 7.84, 115.27 ppm; 5.28 A increased from 4.69 A): 3 out of 5 assignments used, quality = 1.00: QD1 LEU 27 + H ASN 26 OK 99 99 100 100 4.9-5.6 2.1/8618=88, 4.7/6419=77...(10) QD2 LEU 27 + H ASN 26 OK 77 77 100 100 4.6-5.1 2.1/8618=88, 4.7/6419=77...(8) QG2 ILE 93 + H ASN 26 OK 34 99 35 99 5.3-5.9 10320/6413=81...(10) QD1 ILE 93 - H ASN 26 far 0 99 0 - 7.5-8.6 QG1 VAL 5 - H ASN 26 far 0 71 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 8617 from nnoeabs.peaks (1.46, 7.84, 115.27 ppm; 5.44 A increased from 4.58 A): 2 out of 3 assignments used, quality = 1.00: HB2 LEU 27 + H ASN 26 OK 100 100 100 100 4.9-5.2 6440/6419=98...(7) QB ALA 22 + H ASN 26 OK 86 87 100 99 4.9-5.4 2.1/8608=84...(8) HG LEU 29 - H ASN 26 far 0 87 0 - 10.0-10.8 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 5 assignments used, quality = 1.00: HG LEU 27 + H ASN 26 OK 100 100 100 100 3.8-4.5 6442/6419=86...(10) HG2 LYS 24 - H ASN 26 far 0 96 0 - 5.3-7.0 HB3 LEU 29 - H ASN 26 far 0 100 0 - 7.7-8.5 HD2 LYS 94 - H ASN 26 far 0 88 0 - 8.6-11.6 HB3 GLU 28 - H ASN 26 far 0 61 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 8619 from nnoeabs.peaks (1.97, 7.84, 115.27 ppm; 5.08 A increased from 4.78 A): 2 out of 3 assignments used, quality = 1.00: HB2 LYS 24 + H ASN 26 OK 98 100 100 99 4.8-5.2 1073/8606=80...(6) HB3 LYS 24 + H ASN 26 OK 93 100 95 98 4.8-5.5 4.4/6409=78, 4.0/8606=68...(5) HB3 LYS 20 - H ASN 26 far 0 68 0 - 9.1-10.2 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 = 0.98: HB2 GLU 23 + H ASN 26 OK 93 100 100 93 5.0-5.4 4.6/8606=67, 3.0/8609=56...(4) QE MET 21 + H ASN 26 OK 78 98 80 100 5.4-5.8 8551/3.6=90...(5) HG3 GLU 28 - H ASN 26 far 0 88 0 - 8.1-10.3 HG2 GLU 28 - H ASN 26 far 0 88 0 - 8.3-10.4 HB2 MET 21 - H ASN 26 far 0 65 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 8632 from nnoeabs.peaks (1.34, 7.47, 112.34 ppm; 6.29 A increased from 5.92 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 25 + HD22 ASN 26 OK 100 100 100 100 4.1-6.3 8628/3.5=80, 8627/4.4=80...(4) HB3 LEU 27 - HD22 ASN 26 far 0 100 0 - 7.6-9.7 HG3 LYS 94 - HD22 ASN 26 far 0 59 0 - 9.1-14.9 Violated in 0 structures by 0.00 A. Peak 8637 from nnoeabs.peaks (4.14, 8.24, 116.83 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.88: HA GLU 23 + H LEU 27 OK 88 100 100 88 3.3-3.9 10478/6434=48...(7) Violated in 2 structures by 0.00 A. Peak 8638 from nnoeabs.peaks (3.83, 8.24, 116.83 ppm; 4.43 A increased from 3.94 A): 1 out of 5 assignments used, quality = 0.99: HA ALA 22 + H LEU 27 OK 99 100 100 99 3.8-4.2 8636/6440=64...(12) HA SER 97 - H LEU 27 far 0 98 0 - 7.0-7.8 HA ARG 19 - H LEU 27 far 0 92 0 - 7.7-8.2 HA LYS 94 - H LEU 27 far 0 65 0 - 7.8-8.8 HB3 SER 102 - H LEU 27 far 0 93 0 - 9.4-19.6 Violated in 0 structures by 0.00 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 4.4-5.0 5.7/8655=54...(10) QD TYR 4 + H GLU 28 OK 93 93 100 100 4.0-4.5 3.7/8655=78, 4.8/8650=54...(12) 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 4.9-5.1 8163=86, 146/8123=77...(8) Violated in 0 structures by 0.00 A. Peak 8655 from nnoeabs.peaks (5.16, 7.80, 121.34 ppm; 4.25 A): 1 out of 3 assignments used, quality = 0.93: HA TYR 4 + H GLU 28 OK 93 94 100 100 3.3-3.5 8123=82, 8657/6456=51...(12) HA LEU 3 - H GLU 28 far 0 71 0 - 5.9-6.4 HA VAL 54 - H GLU 28 far 0 100 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 8663 from nnoeabs.peaks (0.77, 8.45, 126.55 ppm; 6.40 A increased from 5.39 A): 4 out of 10 assignments used, quality = 0.99: QD1 LEU 27 + H LEU 29 OK 80 100 100 80 5.9-6.5 10484/8664=64...(3) QG2 ILE 93 + H LEU 29 OK 75 96 100 78 5.9-6.6 8579/6470=57...(3) QG1 VAL 5 + H LEU 29 OK 59 59 100 100 5.7-6.3 2.1/8664=93, ~8173=83...(12) QD2 LEU 27 + H LEU 29 OK 31 65 95 50 6.2-6.7 1219/4.5=49 QD1 ILE 93 - H LEU 29 far 10 100 10 - 6.4-7.6 QG2 ILE 7 - H LEU 29 far 0 71 0 - 7.3-7.8 QG1 VAL 54 - H LEU 29 far 0 100 0 - 7.4-8.2 QD1 LEU 6 - H LEU 29 far 0 100 0 - 8.3-8.7 QD2 LEU 57 - H LEU 29 far 0 77 0 - 8.6-10.5 HG13 ILE 93 - H LEU 29 far 0 90 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. Peak 8664 from nnoeabs.peaks (1.87, 8.45, 126.55 ppm; 5.66 A): 1 out of 2 assignments used, quality = 0.99: HB VAL 5 + H LEU 29 OK 99 99 100 100 4.6-5.1 8173/2.9=94...(16) HB2 ARG 19 - H LEU 29 far 0 92 0 - 6.2-7.2 Violated in 0 structures by 0.00 A. Peak 8665 from nnoeabs.peaks (1.29, 8.45, 126.55 ppm; 6.50 A increased from 5.96 A): 1 out of 1 assignment used, quality = 0.93: HG2 ARG 30 + H LEU 29 OK 93 100 100 93 5.1-6.5 6485/4.6=83...(4) Violated in 0 structures by 0.00 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 4.7-5.0 8172/2.9=97, 8160=96...(14) H ARG 19 - H LEU 29 far 0 97 0 - 7.9-8.6 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 2.7-3.0 8200=72, 6072/6475=52...(13) Violated in 0 structures by 0.00 A. Peak 8713 from nnoeabs.peaks (0.76, 9.09, 125.04 ppm; 4.40 A increased from 4.14 A): 1 out of 15 assignments used, quality = 0.67: QG1 VAL 5 + H ARG 30 OK 67 68 100 99 3.7-4.2 2.1/8715=75, 2.1/8714=53...(10) QG2 ILE 7 - H ARG 30 far 0 63 0 - 4.7-5.0 QG1 VAL 54 - H ARG 30 far 0 100 0 - 5.0-5.8 QD1 LEU 6 - H ARG 30 far 0 99 0 - 5.1-5.4 QD1 ILE 93 - H ARG 30 far 0 99 0 - 6.2-7.5 QD2 LEU 57 - H ARG 30 far 0 70 0 - 6.2-8.2 QG2 ILE 93 - H ARG 30 far 0 99 0 - 6.8-7.5 QD1 LEU 27 - H ARG 30 far 0 100 0 - 7.3-7.8 HG13 ILE 93 - H ARG 30 far 0 94 0 - 8.1-9.4 QD2 LEU 42 - H ARG 30 far 0 100 0 - 8.3-8.8 QD2 LEU 27 - H ARG 30 far 0 73 0 - 8.4-8.9 QD1 ILE 15 - H ARG 30 far 0 100 0 - 8.8-9.5 QG1 VAL 78 - H ARG 30 far 0 96 0 - 8.9-9.5 HG13 ILE 15 - H ARG 30 far 0 100 0 - 8.9-10.7 QG2 ILE 8 - H ARG 30 far 0 85 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 8714 from nnoeabs.peaks (0.94, 9.09, 125.04 ppm; 5.34 A increased from 5.02 A): 1 out of 4 assignments used, quality = 1.00: QG2 VAL 5 + H ARG 30 OK 100 100 100 100 4.9-5.2 2.1/8715=94, 2.1/8713=94...(6) QG1 VAL 32 - H ARG 30 far 0 61 0 - 7.9-8.2 HG LEU 55 - H ARG 30 far 0 92 0 - 8.1-9.0 QG2 VAL 83 - H ARG 30 far 0 93 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 8715 from nnoeabs.peaks (1.87, 9.09, 125.04 ppm; 4.33 A): 1 out of 5 assignments used, quality = 0.99: HB VAL 5 + H ARG 30 OK 99 99 100 100 3.5-4.0 2.1/8713=71...(12) HB2 ARG 19 - H ARG 30 far 0 88 0 - 7.5-8.6 HB VAL 54 - H ARG 30 far 0 96 0 - 8.4-9.3 HG LEU 42 - H ARG 30 far 0 82 0 - 9.5-10.1 HB ILE 8 - H ARG 30 far 0 84 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 8736 from nnoeabs.peaks (0.81, 8.50, 114.75 ppm; 4.37 A): 2 out of 8 assignments used, quality = 1.00: QG2 ILE 7 + H THR 31 OK 98 99 100 99 4.3-4.6 8282/6501=76...(6) QG2 VAL 32 + H THR 31 OK 79 87 100 91 4.0-4.3 10165/3.0=53...(5) QG2 ILE 15 - H THR 31 far 0 100 0 - 5.3-5.9 QD1 LEU 6 - H THR 31 far 0 63 0 - 6.1-6.5 QD2 LEU 38 - H THR 31 far 0 96 0 - 6.4-6.9 QG2 ILE 8 - H THR 31 far 0 91 0 - 7.6-8.7 QD2 LEU 57 - H THR 31 far 0 98 0 - 8.8-10.5 QD1 ILE 93 - H THR 31 far 0 61 0 - 8.8-9.7 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 8 assignments used, quality = 0.98: QD2 LEU 6 + H THR 31 OK 95 99 100 96 3.5-3.9 8717/6493=51...(10) QD2 LEU 29 + H THR 31 OK 67 71 100 94 3.8-4.2 12050=54, 8731/6501=44...(8) QD1 LEU 29 - H THR 31 far 0 90 0 - 6.2-6.5 QD1 ILE 8 - H THR 31 far 0 70 0 - 7.7-8.3 QG2 VAL 54 - H THR 31 far 0 91 0 - 8.8-10.0 QD2 LEU 14 - H THR 31 far 0 71 0 - 8.9-9.4 HG13 ILE 56 - H THR 31 far 0 59 0 - 9.4-10.1 QD1 ILE 56 - H THR 31 far 0 73 0 - 9.6-10.1 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 4.1-4.5 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 4.0-4.1 8896/6515=86...(12) QD TYR 41 + H LYS 33 OK 73 75 100 98 5.6-6.0 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 4.6-4.9 8804=92, 8770/6530=90...(13) HE ARG 30 - H LYS 33 far 0 73 0 - 7.4-12.5 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 3.6-3.8 8768=97, 6542/6530=82...(15) QG2 THR 31 - H LYS 33 far 0 87 0 - 6.2-6.6 HG2 LYS 40 - H LYS 33 far 0 100 0 - 9.1-10.4 HB2 LEU 6 - H LYS 33 far 0 96 0 - 9.1-9.5 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 2.7-4.3 8816=54, 8814/6530=52...(14) HB3 GLU 37 + H LYS 33 OK 95 95 100 100 3.3-3.8 10144/6515=57...(13) HB3 LEU 38 - H LYS 33 far 0 65 0 - 5.4-7.3 HB3 GLU 35 - H LYS 33 far 0 81 0 - 8.1-8.4 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 2.7-4.5 8817=97, 1.8/8816=81...(12) HG2 GLU 63 - H LYS 33 far 0 81 0 - 8.5-9.9 Violated in 0 structures by 0.00 A. Peak 8749 from nnoeabs.peaks (0.91, 7.25, 106.30 ppm; 3.24 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 32 + H THR 34 OK 100 100 100 100 2.0-2.4 8938=72, 6517/6530=45...(16) HG13 ILE 8 - H THR 34 far 0 90 0 - 5.1-8.3 Violated in 0 structures by 0.00 A. Peak 8750 from nnoeabs.peaks (0.82, 7.25, 106.30 ppm; 4.81 A increased from 4.27 A): 1 out of 7 assignments used, quality = 0.97: QG2 VAL 32 + H THR 34 OK 97 97 100 100 4.5-4.8 2.1/8749=99, 4.1/6530=79...(9) QG2 ILE 8 - H THR 34 poor 15 75 20 - 4.7-5.7 QD2 LEU 38 - H THR 34 far 0 100 0 - 5.1-5.7 QD1 LEU 70 - H THR 34 far 0 100 0 - 6.9-7.7 QG2 ILE 7 - H THR 34 far 0 93 0 - 7.8-8.3 QD2 LEU 70 - H THR 34 far 0 99 0 - 8.3-9.4 QG2 ILE 15 - H THR 34 far 0 99 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 8751 from nnoeabs.peaks (0.73, 7.25, 106.30 ppm; 5.75 A increased from 5.12 A): 1 out of 6 assignments used, quality = 0.73: QD1 ILE 8 + H THR 34 OK 73 95 100 77 5.5-5.5 8851/8858=47...(3) QD2 LEU 6 - H THR 34 far 0 57 0 - 6.9-7.2 QG1 VAL 58 - H THR 34 far 0 100 0 - 8.0-8.6 QD1 ILE 15 - H THR 34 far 0 71 0 - 8.3-9.1 QD1 LEU 42 - H THR 34 far 0 61 0 - 8.9-9.3 QD1 ILE 56 - H THR 34 far 0 93 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 8752 from nnoeabs.peaks (1.99, 7.25, 106.30 ppm; 3.43 A): 1 out of 2 assignments used, quality = 0.99: HB2 GLU 37 + H THR 34 OK 99 99 100 99 2.4-2.9 8808=60, 3.0/8753=52...(11) HB2 GLU 35 - H THR 34 far 0 91 0 - 6.5-6.7 Violated in 0 structures by 0.00 A. Peak 8753 from nnoeabs.peaks (2.13, 7.25, 106.30 ppm; 3.47 A): 1 out of 2 assignments used, quality = 0.76: HG3 GLU 37 + H THR 34 OK 76 85 90 99 2.9-3.9 3.0/8752=54, 1.8/8754=45...(13) HB3 GLU 37 - H THR 34 far 0 99 0 - 3.9-4.4 Violated in 2 structures by 0.04 A. Peak 8754 from nnoeabs.peaks (2.27, 7.25, 106.30 ppm; 4.46 A increased from 4.20 A): 1 out of 2 assignments used, quality = 0.99: HG2 GLU 37 + H THR 34 OK 99 99 100 100 2.1-4.5 1.8/8753=97, 8812=83...(12) HG2 GLU 63 - H THR 34 far 0 81 0 - 8.1-8.9 Violated in 3 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 5.2-5.4 3.0/8752=96, 8806=91...(9) Violated in 2 structures by 0.00 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 91 100 100 5.0-5.2 12057/8858=64, ~6546=61...(7) HA LEU 38 - H THR 34 far 0 70 0 - 6.0-6.5 HA GLU 63 - H THR 34 far 0 100 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 8764 from nnoeabs.peaks (4.43, 7.25, 106.30 ppm; 3.95 A increased from 3.72 A): 1 out of 2 assignments used, quality = 0.95: HA VAL 32 + H THR 34 OK 95 95 100 100 3.6-3.9 1394/6530=73, 10149=71...(10) HA SER 9 - H THR 34 far 0 100 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 8769 from nnoeabs.peaks (7.54, 7.25, 106.30 ppm; 4.84 A): 1 out of 1 assignment used, quality = 0.99: H LEU 38 + H THR 34 OK 99 99 100 100 3.9-4.3 8858=96, 8932/8749=85...(14) Violated in 0 structures by 0.00 A. Peak 8770 from nnoeabs.peaks (7.74, 7.25, 106.30 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: H GLU 37 + H THR 34 OK 100 100 100 100 3.5-3.7 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 4.2-4.6 8803=94, 6567/6556=89...(9) 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 4.2-4.5 8941=69, 6579/6565=68...(15) Violated in 2 structures by 0.02 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 4.8-5.0 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): 1 out of 5 assignments used, quality = 0.92: QD1 LEU 70 + H GLU 35 OK 92 92 100 100 5.0-5.5 10167/3.0=95...(9) QD2 LEU 70 - H GLU 35 far 0 81 0 - 5.9-7.0 QD2 LEU 38 - H GLU 35 far 0 98 0 - 6.1-6.7 QG2 VAL 32 - H GLU 35 far 0 100 0 - 6.7-7.0 QD1 LEU 38 - H GLU 35 far 0 85 0 - 6.9-7.5 Violated in 0 structures by 0.00 A. Peak 8776 from nnoeabs.peaks (1.49, 9.17, 121.92 ppm; 6.30 A increased from 5.93 A): 1 out of 7 assignments used, quality = 0.71: HB2 LEU 38 + H GLU 35 OK 71 71 100 99 5.5-6.1 3.8/10554=73...(11) HG3 LYS 66 - H GLU 35 far 15 100 15 - 6.2-7.4 HG LEU 38 - H GLU 35 far 4 79 5 - 6.4-7.3 HG2 LYS 66 - H GLU 35 far 0 100 0 - 7.8-8.9 HG3 LYS 33 - H GLU 35 far 0 96 0 - 8.6-8.7 HD2 LYS 40 - H GLU 35 far 0 87 0 - 9.2-11.0 HD3 LYS 40 - H GLU 35 far 0 88 0 - 9.5-11.8 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 = 0.99: HB2 ASP 36 + H GLU 35 OK 93 93 100 100 4.6-6.2 3.6/6556=95, 4.0/8803=71...(8) HB3 ASP 36 + H GLU 35 OK 84 94 90 100 4.6-6.2 3.6/6556=95, 4.0/8803=71...(7) HG3 GLU 63 - H GLU 35 far 0 99 0 - 7.5-9.3 Violated in 0 structures by 0.00 A. Peak 8778 from nnoeabs.peaks (1.87, 8.19, 118.33 ppm; 4.92 A): 0 out of 3 assignments used, quality = 0.00: HB3 LYS 39 - H ASP 36 far 0 98 0 - 5.8-6.2 HB3 LYS 66 - H ASP 36 far 0 98 0 - 8.1-9.4 HG LEU 42 - H ASP 36 far 0 90 0 - 9.9-10.2 Violated in 20 structures by 0.97 A. Peak 8779 from nnoeabs.peaks (1.80, 8.19, 118.33 ppm; 5.87 A increased from 5.52 A): 1 out of 3 assignments used, quality = 1.00: HB2 LYS 39 + H ASP 36 OK 100 100 100 100 5.3-5.6 10537/3.0=98...(10) HB2 LYS 66 - H ASP 36 far 0 61 0 - 7.3-8.6 HB2 LEU 42 - H ASP 36 far 0 100 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 8780 from nnoeabs.peaks (1.67, 8.19, 118.33 ppm; 5.21 A): 0 out of 6 assignments used, quality = 0.00: HB2 LYS 40 - H ASP 36 far 0 92 0 - 6.4-7.1 HD2 LYS 39 - H ASP 36 far 0 98 0 - 6.5-7.8 HB3 LYS 40 - H ASP 36 far 0 95 0 - 6.6-8.0 HG LEU 70 - H ASP 36 far 0 73 0 - 7.8-9.0 HD3 LYS 39 - H ASP 36 far 0 85 0 - 8.3-8.7 HD3 LYS 66 - H ASP 36 far 0 68 0 - 9.0-11.3 Violated in 20 structures by 0.39 A. Peak 8781 from nnoeabs.peaks (1.47, 8.19, 118.33 ppm; 6.02 A increased from 5.07 A): 1 out of 8 assignments used, quality = 0.98: HB2 LEU 38 + H ASP 36 OK 98 98 100 100 5.5-5.7 3.8/8772=86...(8) HD2 LYS 40 - H ASP 36 far 0 100 0 - 7.1-8.7 HG LEU 38 - H ASP 36 far 0 99 0 - 7.2-7.8 HG3 LYS 39 - H ASP 36 far 0 84 0 - 7.3-8.3 HD3 LYS 40 - H ASP 36 far 0 100 0 - 7.7-9.8 HG3 LYS 66 - H ASP 36 far 0 84 0 - 7.8-9.4 HG3 LYS 33 - H ASP 36 far 0 63 0 - 9.1-9.4 HG2 LYS 66 - H ASP 36 far 0 87 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 8782 from nnoeabs.peaks (1.18, 8.19, 118.33 ppm; 4.56 A increased from 4.05 A): 1 out of 2 assignments used, quality = 0.99: QG2 THR 34 + H ASP 36 OK 99 99 100 100 4.3-4.4 8767=99, 2.1/8794=96...(9) HG2 LYS 40 - H ASP 36 far 0 85 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 8794 from nnoeabs.peaks (4.61, 8.19, 118.33 ppm; 3.29 A): 1 out of 1 assignment used, quality = 0.94: HB THR 34 + H ASP 36 OK 94 98 100 96 3.0-3.4 10524=71, 6547/6556=39...(8) Violated in 2 structures by 0.00 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 5.3-5.5 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 1 assignment used, quality = 1.00: H GLU 35 + H GLU 37 OK 100 100 100 100 4.2-4.6 6556/6565=91, 8771=76...(9) 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 4.6-4.9 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 3.5-3.7 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 5.2-5.5 8813/1601=84...(14) QD TYR 41 + H GLU 37 OK 87 88 100 99 5.6-6.1 14619/8831=59...(14) HD21 ASN 60 + H LEU 64 OK 33 34 100 97 5.6-6.1 9439/4.6=65, 9427/4.6=60...(5) Violated in 0 structures by 0.00 A. Peak 8821 from nnoeabs.peaks (3.89, 7.74, 120.70 ppm; 4.37 A): 2 out of 9 assignments used, quality = 0.99: HA GLU 35 + H GLU 37 OK 99 100 100 99 4.1-4.5 3.6/6565=74...(8) HA GLU 63 + H LEU 64 OK 33 33 100 100 3.5-3.5 3.6=100 HA LEU 38 - H GLU 37 far 0 95 0 - 5.1-5.4 HA LYS 40 - H GLU 37 far 0 84 0 - 6.8-7.1 HA ALA 67 - H LEU 64 far 0 21 0 - 6.9-7.1 HA TYR 41 - H GLU 37 far 0 65 0 - 8.5-8.8 HA ALA 67 - H GLU 37 far 0 63 0 - 9.1-9.9 HA GLU 35 - H LEU 64 far 0 42 0 - 9.2-10.5 HA GLU 63 - H GLU 37 far 0 88 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 8822 from nnoeabs.peaks (4.62, 7.74, 120.70 ppm; 4.57 A increased from 4.30 A): 1 out of 3 assignments used, quality = 0.92: HB THR 34 + H GLU 37 OK 92 92 100 100 4.1-4.6 8794/6565=82...(8) HA ILE 8 - H GLU 37 far 0 100 0 - 9.1-9.8 HA ILE 8 - H LEU 64 far 0 42 0 - 9.6-9.9 Violated in 2 structures by 0.00 A. Peak 8825 from nnoeabs.peaks (4.41, 7.74, 120.70 ppm; 5.64 A increased from 5.31 A): 1 out of 2 assignments used, quality = 1.00: HA VAL 32 + H GLU 37 OK 100 100 100 100 5.4-5.6 3.2/8831=88...(11) HA SER 9 - H LEU 64 far 0 36 0 - 9.7-10.1 Violated in 1 structures by 0.00 A. Peak 8828 from nnoeabs.peaks (1.68, 7.74, 120.70 ppm; 5.31 A): 2 out of 12 assignments used, quality = 0.91: HB2 LYS 40 + H GLU 37 OK 73 73 100 100 4.4-4.9 8852/6576=71, ~1794=69...(20) HB3 LYS 40 + H GLU 37 OK 65 100 65 100 5.1-6.2 1794/3.0=91, ~1782=70...(18) HD2 LYS 68 - H LEU 64 far 0 30 0 - 6.0-8.8 HG2 LYS 68 - H LEU 64 far 0 22 0 - 6.2-6.3 HD3 LYS 68 - H LEU 64 far 0 30 0 - 6.3-8.7 HD2 LYS 39 - H GLU 37 far 0 87 0 - 7.1-8.4 HD3 LYS 66 - H LEU 64 far 0 33 0 - 7.2-8.0 HB3 LEU 70 - H GLU 37 far 0 63 0 - 8.5-9.7 HD3 LYS 39 - H GLU 37 far 0 63 0 - 8.7-9.3 HG LEU 70 - H GLU 37 far 0 92 0 - 9.0-10.3 HB3 LEU 6 - H GLU 37 far 0 77 0 - 9.1-9.4 HG LEU 70 - H LEU 64 far 0 35 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 8829 from nnoeabs.peaks (1.47, 7.74, 120.70 ppm; 4.33 A): 2 out of 14 assignments used, quality = 0.61: HG LEU 64 + H LEU 64 OK 40 40 100 100 4.3-4.4 2826=73, 2827/3.0=71...(11) HB3 LEU 64 + H LEU 64 OK 34 34 100 100 2.8-2.9 3.9=100 HD2 LYS 82 - H LEU 64 far 4 41 10 - 4.4-5.6 HB2 LEU 38 - H GLU 37 far 0 97 0 - 4.7-5.3 HD2 LYS 40 - H GLU 37 far 0 100 0 - 4.8-6.8 HD3 LYS 40 - H GLU 37 far 0 100 0 - 5.2-7.4 HG2 LYS 66 - H LEU 64 far 0 34 0 - 5.3-6.1 HG3 LYS 66 - H LEU 64 far 0 32 0 - 6.3-6.9 HG LEU 38 - H GLU 37 far 0 99 0 - 6.9-7.2 HG3 LYS 39 - H GLU 37 far 0 81 0 - 7.2-8.2 HG3 LYS 33 - H GLU 37 far 0 68 0 - 7.2-7.7 HG LEU 38 - H LEU 64 far 0 41 0 - 8.0-8.8 HB2 LEU 38 - H LEU 64 far 0 39 0 - 9.6-10.7 HG3 LYS 66 - H GLU 37 far 0 87 0 - 9.6-11.0 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 4 assignments used, quality = 1.00: QG2 THR 34 + H GLU 37 OK 100 100 100 100 4.1-4.4 8766=78, 2.1/8822=73...(13) HG2 LYS 40 - H GLU 37 far 0 91 0 - 7.0-7.7 HB2 LEU 57 - H LEU 64 far 0 37 0 - 9.6-9.8 QG2 THR 31 - H GLU 37 far 0 61 0 - 9.8-10.0 Violated in 0 structures by 0.00 A. Peak 8831 from nnoeabs.peaks (0.91, 7.74, 120.70 ppm; 4.29 A): 1 out of 5 assignments used, quality = 1.00: QG1 VAL 32 + H GLU 37 OK 100 100 100 100 3.5-3.7 8932/6576=76, 8936=67...(14) HG13 ILE 8 - H GLU 37 far 0 91 0 - 7.2-10.1 HG13 ILE 8 - H LEU 64 far 0 34 0 - 7.6-8.9 QG1 VAL 32 - H LEU 64 far 0 43 0 - 8.4-9.1 HB2 ARG 81 - H LEU 64 far 0 31 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 8832 from nnoeabs.peaks (0.85, 7.74, 120.70 ppm; 4.72 A): 2 out of 11 assignments used, quality = 0.74: QG2 VAL 32 + H GLU 37 OK 57 96 60 100 4.8-5.1 2.1/8936=68, 3.2/8825=49...(12) QD2 LEU 64 + H LEU 64 OK 38 38 100 100 3.9-4.1 4.5=100 QD2 LEU 38 - H GLU 37 far 0 85 0 - 5.6-5.9 QD1 LEU 70 - H GLU 37 far 0 73 0 - 5.6-6.7 QD1 LEU 38 - H GLU 37 far 0 98 0 - 6.3-6.5 QD2 LEU 70 - H GLU 37 far 0 57 0 - 6.3-7.6 QD1 LEU 70 - H LEU 64 far 0 25 0 - 7.5-7.8 QD2 LEU 38 - H LEU 64 far 0 31 0 - 7.5-8.2 QD1 LEU 38 - H LEU 64 far 0 39 0 - 8.2-8.9 QD1 LEU 57 - H LEU 64 far 0 35 0 - 8.7-8.9 QG2 VAL 32 - H LEU 64 far 0 38 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 8851 from nnoeabs.peaks (0.71, 7.53, 119.20 ppm; 5.19 A increased from 4.61 A): 2 out of 9 assignments used, quality = 1.00: QD1 ILE 8 + H LEU 38 OK 99 100 100 100 4.7-5.3 8857/6587=74...(9) QD2 LEU 6 + H LEU 38 OK 26 81 40 81 5.3-5.7 8870/8884=26...(9) QD1 LEU 42 - H LEU 38 far 0 84 0 - 5.6-5.9 QD1 ILE 56 - H LEU 38 far 0 100 0 - 6.7-7.3 QG1 VAL 58 - H LEU 38 far 0 100 0 - 7.6-8.1 HG13 ILE 56 - H LEU 38 far 0 100 0 - 7.9-8.5 QG1 VAL 78 - H LEU 38 far 0 75 0 - 9.2-9.8 QG2 VAL 78 - H LEU 38 far 0 100 0 - 9.5-10.0 QG2 VAL 58 - H LEU 38 far 0 59 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 8852 from nnoeabs.peaks (1.67, 7.53, 119.20 ppm; 5.04 A increased from 4.75 A): 1 out of 7 assignments used, quality = 0.81: HB2 LYS 40 + H LEU 38 OK 81 82 100 99 4.6-4.9 4.1/6592=68...(10) HB3 LYS 40 - H LEU 38 far 0 99 0 - 5.9-6.7 HB3 LEU 6 - H LEU 38 far 0 85 0 - 6.7-7.1 HD2 LYS 39 - H LEU 38 far 0 93 0 - 7.1-7.8 HG LEU 70 - H LEU 38 far 0 85 0 - 7.4-8.7 HD3 LYS 39 - H LEU 38 far 0 73 0 - 8.5-8.8 HD3 LYS 66 - H LEU 38 far 0 81 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 8853 from nnoeabs.peaks (1.82, 7.53, 119.20 ppm; 5.13 A increased from 4.83 A): 1 out of 2 assignments used, quality = 0.88: HB2 LYS 39 + H LEU 38 OK 88 88 100 100 4.9-5.1 4.0/6591=81, 4.6/6592=63...(10) HB2 LEU 42 - H LEU 38 far 0 97 0 - 7.1-7.4 Violated in 0 structures by 0.00 A. Peak 8854 from nnoeabs.peaks (2.52, 7.53, 119.20 ppm; 5.57 A increased from 5.24 A): 2 out of 3 assignments used, quality = 0.96: HB3 ASP 36 + H LEU 38 OK 92 97 95 100 4.9-6.1 4.0/6576=90...(8) HB2 ASP 36 + H LEU 38 OK 43 96 45 100 4.9-6.1 4.0/6576=90...(8) HG3 GLU 63 - H LEU 38 far 0 100 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 8858 from nnoeabs.peaks (7.26, 7.53, 119.20 ppm; 4.60 A): 1 out of 1 assignment used, quality = 0.99: H THR 34 + H LEU 38 OK 99 99 100 100 3.9-4.3 8769=83, 8749/8932=80...(14) Violated in 0 structures by 0.00 A. Peak 8859 from nnoeabs.peaks (6.84, 7.53, 119.20 ppm; 5.56 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 41 + H LEU 38 OK 98 98 100 100 4.2-4.5 8909/8932=77...(18) QD TYR 41 + H LEU 38 OK 97 97 100 100 3.9-4.4 14602/2.9=81...(27) Violated in 0 structures by 0.00 A. Peak 8862 from nnoeabs.peaks (0.83, 7.63, 118.27 ppm; 4.93 A increased from 4.64 A): 2 out of 7 assignments used, quality = 0.73: QD1 LEU 38 + H LYS 40 OK 61 70 100 88 4.7-4.9 4.5/6592=60...(6) QG2 VAL 32 + H LYS 40 OK 31 100 45 68 5.1-5.3 6589/6592=37...(4) QD1 LEU 70 - H LYS 40 far 0 99 0 - 5.4-6.3 QD2 LEU 70 - H LYS 40 far 0 93 0 - 5.5-6.4 QD2 LEU 38 - H LYS 40 far 0 100 0 - 5.5-5.8 QD1 ILE 76 - H LYS 40 far 0 84 0 - 7.2-7.5 QG2 ILE 8 - H LYS 40 far 0 57 0 - 9.1-10.1 Violated in 0 structures by 0.00 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 4.1-4.5 10540=98, 10537/6620=66...(6) Violated in 1 structures by 0.00 A. Peak 8868 from nnoeabs.peaks (0.87, 7.82, 117.81 ppm; 4.90 A): 1 out of 4 assignments used, quality = 0.97: QD1 LEU 38 + H TYR 41 OK 97 97 100 100 4.4-4.9 8912/6659=69...(12) QG1 VAL 32 - H TYR 41 far 0 71 0 - 5.3-5.5 QG2 ILE 76 - H TYR 41 far 0 99 0 - 8.3-8.7 HG13 ILE 8 - H TYR 41 far 0 98 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 8869 from nnoeabs.peaks (0.79, 7.82, 117.81 ppm; 4.62 A increased from 4.35 A): 1 out of 10 assignments used, quality = 0.94: QD1 LEU 6 + H TYR 41 OK 94 95 100 100 4.1-4.4 8876/6656=68...(9) QD2 LEU 38 - H TYR 41 far 10 68 15 - 4.8-5.3 QD2 LEU 42 - H TYR 41 far 0 91 0 - 5.5-5.8 QD1 LEU 70 - H TYR 41 far 0 81 0 - 6.6-7.6 QG1 VAL 54 - H TYR 41 far 0 84 0 - 6.6-7.1 QD1 ILE 76 - H TYR 41 far 0 98 0 - 6.8-7.1 QD2 LEU 70 - H TYR 41 far 0 92 0 - 7.2-8.2 QG2 ILE 8 - H TYR 41 far 0 100 0 - 9.0-10.0 QG2 ILE 7 - H TYR 41 far 0 99 0 - 9.7-10.0 QG2 ILE 52 - H TYR 41 far 0 99 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 8870 from nnoeabs.peaks (0.70, 7.82, 117.81 ppm; 4.92 A increased from 4.64 A): 2 out of 7 assignments used, quality = 0.99: QD2 LEU 6 + H TYR 41 OK 97 97 100 100 4.4-4.7 2.1/8869=82...(12) QD1 LEU 42 + H TYR 41 OK 78 98 80 100 4.9-5.3 6676/6659=79...(10) QD1 ILE 56 - H TYR 41 far 0 100 0 - 7.2-7.8 QD1 ILE 8 - H TYR 41 far 0 99 0 - 7.7-8.1 HG13 ILE 56 - H TYR 41 far 0 97 0 - 8.2-8.6 QD1 ILE 52 - H TYR 41 far 0 100 0 - 8.7-9.3 QG2 VAL 78 - H TYR 41 far 0 91 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 8880 from nnoeabs.peaks (2.10, 7.82, 117.81 ppm; 5.10 A increased from 4.80 A): 1 out of 5 assignments used, quality = 0.88: HB3 GLU 37 + H TYR 41 OK 88 91 100 97 4.6-5.0 3.0/6640=80, 4.6/8884=51...(8) HB3 LEU 38 - H TYR 41 far 0 73 0 - 5.7-6.0 HG3 GLU 37 - H TYR 41 far 0 100 0 - 6.5-7.1 HG2 GLU 44 - H TYR 41 far 0 77 0 - 7.8-8.4 HB3 GLU 35 - H TYR 41 far 0 87 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 8881 from nnoeabs.peaks (1.99, 7.82, 117.81 ppm; 5.57 A increased from 4.69 A): 2 out of 8 assignments used, quality = 1.00: HB2 GLU 37 + H TYR 41 OK 99 99 100 100 5.3-5.8 1.8/8880=91, 3.0/6640=89...(5) QE MET 74 + H TYR 41 OK 96 96 100 100 5.2-5.6 9587/6659=76...(11) HB2 GLU 44 - H TYR 41 far 5 97 5 - 5.9-6.1 HB3 GLU 44 - H TYR 41 far 0 97 0 - 6.5-7.1 HB2 ARG 46 - H TYR 41 far 0 98 0 - 8.6-10.9 HB3 ARG 46 - H TYR 41 far 0 82 0 - 8.9-10.6 HB2 GLU 35 - H TYR 41 far 0 91 0 - 9.4-9.9 HB3 MET 74 - H TYR 41 far 0 87 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 8882 from nnoeabs.peaks (1.89, 7.82, 117.81 ppm; 4.95 A increased from 4.40 A): 1 out of 4 assignments used, quality = 1.00: HG LEU 42 + H TYR 41 OK 100 100 100 100 4.4-4.7 6675/6659=90...(11) HB3 LYS 39 - H TYR 41 far 12 82 15 - 5.2-6.3 HB2 GLU 43 - H TYR 41 far 0 95 0 - 6.8-7.2 HB VAL 54 - H TYR 41 far 0 100 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 8883 from nnoeabs.peaks (1.79, 7.82, 117.81 ppm; 4.79 A): 1 out of 4 assignments used, quality = 0.96: HB2 LEU 42 + H TYR 41 OK 96 97 100 99 4.4-4.7 6673/6659=79...(10) HB2 LYS 39 - H TYR 41 far 0 100 0 - 5.2-6.0 HG3 ARG 46 - H TYR 41 far 0 100 0 - 8.3-11.7 HG2 ARG 46 - H TYR 41 far 0 73 0 - 9.9-11.9 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 4.8-5.0 6592/6644=80...(13) Violated in 0 structures by 0.00 A. Peak 8912 from nnoeabs.peaks (0.88, 7.96, 115.96 ppm; 4.38 A): 1 out of 4 assignments used, quality = 0.86: QD1 LEU 38 + H LEU 42 OK 86 87 100 99 3.7-4.1 12068/6675=58...(10) QG2 ILE 76 - H LEU 42 far 0 100 0 - 6.2-6.5 QG1 VAL 32 - H LEU 42 far 0 88 0 - 6.4-6.7 HG13 ILE 8 - H LEU 42 far 0 100 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 8913 from nnoeabs.peaks (1.42, 7.96, 115.96 ppm; 4.56 A): 0 out of 4 assignments used, quality = 0.00: HG3 LYS 39 - H LEU 42 far 0 90 0 - 5.0-6.2 HB2 LEU 38 - H LEU 42 far 0 65 0 - 5.7-6.6 QB ALA 71 - H LEU 42 far 0 99 0 - 6.2-6.6 HG13 ILE 76 - H LEU 42 far 0 95 0 - 7.9-8.1 Violated in 18 structures by 0.23 A. Peak 8914 from nnoeabs.peaks (1.69, 7.96, 115.96 ppm; 4.62 A): 0 out of 7 assignments used, quality = 0.00: HB3 LYS 40 - H LEU 42 far 0 99 0 - 5.6-5.8 HB3 LEU 70 - H LEU 42 far 0 87 0 - 6.6-7.3 HD2 LYS 39 - H LEU 42 far 0 63 0 - 7.0-7.4 HG LEU 70 - H LEU 42 far 0 100 0 - 9.2-10.0 HD2 LYS 47 - H LEU 42 far 0 99 0 - 9.2-11.3 HD3 LYS 47 - H LEU 42 far 0 99 0 - 9.4-10.5 HD2 LYS 73 - H LEU 42 far 0 87 0 - 9.7-13.6 Violated in 20 structures by 0.63 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 4.1-4.8 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 2 assignments used, quality = 1.00: QG1 VAL 32 + H LEU 38 OK 100 100 100 100 2.0-2.3 8937=77, 8836/6581=37...(21) HG13 ILE 8 - H LEU 38 far 0 96 0 - 5.6-7.9 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 4.6-4.9 10541=100, 3.6/6576=87...(10) 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 2 assignments used, quality = 0.97: H ASP 36 + H LEU 38 OK 97 97 100 100 4.2-4.5 8772=82, 6565/6576=82...(15) H GLU 43 - H LEU 38 far 0 100 0 - 8.2-8.3 Violated in 0 structures by 0.00 A. Peak 8947 from nnoeabs.peaks (0.70, 8.08, 116.94 ppm; 4.92 A): 1 out of 7 assignments used, quality = 0.99: QD1 LEU 42 + H LYS 39 OK 99 99 100 100 3.9-4.1 8953/3.0=85, 625=85...(17) QD1 ILE 8 - H LYS 39 far 0 99 0 - 6.2-6.7 QD2 LEU 6 - H LYS 39 far 0 98 0 - 6.4-6.7 QD1 ILE 56 - H LYS 39 far 0 99 0 - 6.5-7.0 HG13 ILE 56 - H LYS 39 far 0 96 0 - 8.2-8.7 QG2 VAL 78 - H LYS 39 far 0 90 0 - 8.7-9.2 QG1 VAL 58 - H LYS 39 far 0 91 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 8949 from nnoeabs.peaks (4.29, 8.08, 116.94 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.99: HA ASP 36 + H LYS 39 OK 99 100 100 99 3.6-4.0 10537/6604=64...(14) 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 3 assignments used, quality = 0.93: HG2 GLU 35 + H LYS 39 OK 89 99 95 96 3.6-5.8 10534/8949=55...(11) HG3 GLU 35 + H LYS 39 OK 31 99 45 70 3.8-5.7 4.1/6597=26...(9) HG2 GLU 43 - H LYS 39 far 0 93 0 - 6.3-7.3 Violated in 0 structures by 0.00 A. Peak 8955 from nnoeabs.peaks (2.52, 8.08, 116.94 ppm; 6.02 A increased from 5.67 A): 2 out of 3 assignments used, quality = 1.00: HB3 ASP 36 + H LYS 39 OK 96 96 100 100 5.4-6.0 3.0/8949=96...(6) HB2 ASP 36 + H LYS 39 OK 95 95 100 100 5.4-6.2 3.0/8949=96...(6) HG2 MET 74 - H LYS 39 far 0 100 0 - 7.5-8.6 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 5.5-5.8 2.2/14600=71...(14) QD TYR 41 + H LYS 40 OK 92 92 100 100 4.5-4.9 4.6/6644=91, 4.6/6638=78...(17) Violated in 0 structures by 0.00 A. Peak 8972 from nnoeabs.peaks (1.67, 7.60, 120.47 ppm; 6.18 A increased from 5.50 A): 2 out of 8 assignments used, quality = 0.99: HD3 LYS 47 + H GLU 44 OK 98 98 100 100 5.3-6.2 ~12088=67, ~12089=65...(16) HD2 LYS 47 + H GLU 44 OK 54 98 55 100 5.0-7.2 ~12088=67, ~12089=65...(15) HB3 LYS 40 - H GLU 44 far 10 96 10 - 6.3-7.1 HB2 LYS 40 - H GLU 44 far 0 90 0 - 6.6-7.3 HD2 LYS 39 - H GLU 44 far 0 97 0 - 9.1-10.3 HB ILE 76 - H GLU 44 far 0 87 0 - 9.2-9.8 HD3 LYS 39 - H GLU 44 far 0 82 0 - 9.2-9.9 HB ILE 52 - H GLU 44 far 0 100 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 8973 from nnoeabs.peaks (1.34, 7.60, 120.47 ppm; 5.66 A): 2 out of 4 assignments used, quality = 0.83: HB3 LEU 42 + H GLU 44 OK 69 70 100 100 5.3-5.7 4.6/6697=82, 3.0/6703=82...(10) HG3 LYS 40 + H GLU 44 OK 44 90 70 71 5.3-6.2 10586/1879=60...(3) HG2 LYS 39 - H GLU 44 far 0 99 0 - 7.3-8.8 HB3 ARG 30 - H GLU 44 far 0 70 0 - 8.8-9.2 Violated in 0 structures by 0.00 A. Peak 8974 from nnoeabs.peaks (0.77, 7.60, 120.47 ppm; 6.17 A increased from 5.19 A): 2 out of 8 assignments used, quality = 1.00: QD2 LEU 42 + H GLU 44 OK 100 100 100 100 5.6-6.0 1944/6703=88...(8) QD1 ILE 76 + H GLU 44 OK 78 79 100 99 5.3-6.0 9669/8976=57...(9) QD1 LEU 6 - H GLU 44 far 15 100 15 - 6.4-6.6 QG1 VAL 54 - H GLU 44 far 0 99 0 - 7.2-7.8 QG2 ILE 52 - H GLU 44 far 0 100 0 - 7.3-7.8 QG1 VAL 78 - H GLU 44 far 0 84 0 - 8.0-8.5 QD2 LEU 2 - H GLU 44 far 0 63 0 - 9.1-11.7 QD2 LEU 70 - H GLU 44 far 0 65 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 8975 from nnoeabs.peaks (0.71, 7.60, 120.47 ppm; 6.41 A increased from 5.69 A): 2 out of 6 assignments used, quality = 0.98: QD1 ILE 52 + H GLU 44 OK 91 93 100 98 6.1-6.4 9152/6722=73...(5) QD1 LEU 42 + H GLU 44 OK 77 85 90 100 6.5-6.8 4.0/6703=84, 4.7/6702=78...(8) QD2 LEU 6 - H GLU 44 far 0 82 0 - 7.1-7.3 QG1 VAL 78 - H GLU 44 far 0 73 0 - 8.0-8.5 QD1 ILE 56 - H GLU 44 far 0 100 0 - 9.1-9.7 QG2 VAL 78 - H GLU 44 far 0 99 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 8976 from nnoeabs.peaks (2.98, 7.60, 120.47 ppm; 5.03 A): 1 out of 4 assignments used, quality = 1.00: HB2 PHE 45 + H GLU 44 OK 100 100 100 100 4.7-5.0 6729/6722=91...(10) HE2 LYS 47 - H GLU 44 far 10 99 10 - 4.8-8.1 HE3 LYS 47 - H GLU 44 far 0 99 0 - 5.9-8.4 HB3 PHE 45 - H GLU 44 far 0 95 0 - 6.1-6.2 Violated in 0 structures by 0.00 A. Peak 8984 from nnoeabs.peaks (6.83, 7.60, 120.47 ppm; 5.82 A increased from 5.48 A): 1 out of 2 assignments used, quality = 1.00: QD TYR 41 + H GLU 44 OK 100 100 100 100 5.4-5.8 1876/1879=91...(10) QE TYR 41 - H GLU 44 far 0 90 0 - 7.4-7.6 Violated in 0 structures by 0.00 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 4.6-4.9 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): 2 out of 13 assignments used, quality = 0.97: QD1 ILE 76 + H ARG 46 OK 94 99 95 100 2.9-4.2 9630=67, 9639/3.0=56...(23) QG2 ILE 15 + H GLU 16 OK 57 57 100 100 3.0-3.5 660=89, 2.1/652=73...(15) QD1 ILE 15 - H GLU 16 poor 16 41 40 - 4.0-4.3 HG13 ILE 15 - H GLU 16 far 0 34 0 - 4.3-5.1 QD2 LEU 42 - H ARG 46 far 0 85 0 - 4.4-5.0 QG2 ILE 52 - H ARG 46 far 0 98 0 - 4.5-4.9 QG2 ILE 7 - H GLU 16 far 0 64 0 - 5.5-5.8 QG1 VAL 54 - H ARG 46 far 0 77 0 - 6.6-7.7 QD1 LEU 6 - H ARG 46 far 0 91 0 - 6.8-7.5 QD1 ILE 93 - H GLU 16 far 0 53 0 - 7.4-7.8 QD2 LEU 2 - H ARG 46 far 0 95 0 - 7.5-10.0 QD2 LEU 38 - H ARG 46 far 0 75 0 - 9.2-10.0 QG2 VAL 32 - H ARG 46 far 0 57 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 9029 from nnoeabs.peaks (2.35, 7.47, 116.94 ppm; 5.58 A increased from 4.70 A): 2 out of 4 assignments used, quality = 0.99: HG3 GLU 44 + H LYS 47 OK 99 100 100 99 4.6-5.5 1996/6758=81...(7) HG2 GLU 48 + H LYS 47 OK 43 98 45 98 4.3-6.6 2244/6780=87...(7) HG3 GLU 43 - H LYS 47 far 0 87 0 - 7.4-8.5 HB2 TYR 41 - H LYS 47 far 0 73 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 9034 from nnoeabs.peaks (0.88, 7.62, 118.85 ppm; 5.32 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 2 + H GLU 48 OK 100 100 100 100 4.3-5.0 10640/9036=68...(14) QG2 ILE 76 - H GLU 48 far 10 100 10 - 5.2-6.5 Violated in 0 structures by 0.00 A. Peak 9035 from nnoeabs.peaks (0.80, 7.62, 118.85 ppm; 5.22 A): 2 out of 6 assignments used, quality = 0.98: QG2 ILE 52 + H GLU 48 OK 95 95 100 100 3.0-4.2 3.1/9036=78...(17) QD2 LEU 2 + H GLU 48 OK 63 98 65 99 4.3-6.9 2.1/9034=76...(9) QD1 ILE 76 - H GLU 48 far 0 100 0 - 6.1-7.4 QD2 LEU 42 - H GLU 48 far 0 79 0 - 7.3-8.0 QG1 VAL 54 - H GLU 48 far 0 70 0 - 8.3-9.3 QD1 LEU 6 - H GLU 48 far 0 85 0 - 9.2-10.2 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 2.9-3.3 9177/6792=71, 9149=65...(20) QD1 LEU 42 - H GLU 48 far 0 98 0 - 9.4-9.9 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 3 assignments used, quality = 1.00: QD1 LEU 2 + H SER 49 OK 100 100 100 100 3.6-5.4 9034/6795=72...(13) QG2 ILE 76 + H SER 49 OK 94 100 95 99 4.6-6.0 9065/3.9=79...(9) QD1 LEU 103 - H SER 49 far 0 90 0 - 9.3-19.3 Violated in 0 structures by 0.00 A. Peak 9047 from nnoeabs.peaks (0.79, 7.72, 114.22 ppm; 4.99 A): 1 out of 5 assignments used, quality = 0.99: QG2 ILE 52 + H SER 49 OK 99 99 100 100 2.6-3.7 9066/3.9=69...(21) QD2 LEU 2 - H SER 49 far 0 91 0 - 5.6-7.8 QD1 ILE 76 - H SER 49 far 0 98 0 - 6.0-7.3 QD2 LEU 42 - H SER 49 far 0 91 0 - 7.6-8.6 QG1 VAL 54 - H SER 49 far 0 84 0 - 8.7-10.4 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 3.1-4.7 9150=86, 9036/6795=75...(21) QD1 LEU 42 - H SER 49 far 0 98 0 - 9.5-10.3 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 98 99 100 99 4.0-5.1 6778/6795=88...(8) H ILE 52 + H SER 49 OK 75 98 80 96 3.5-5.4 9078/2.9=64...(6) HE ARG 46 - H SER 49 far 5 98 5 - 5.2-8.9 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 - 4.5-11.4 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 = 0.97: * H GLN 50 + HE22 GLN 50 OK 95 100 95 100 2.8-6.1 3.0/9096=91, 6813/4.5=81...(8) H ASN 51 + HE22 GLN 50 OK 39 98 40 100 3.9-7.1 3.6/9096=85, 6830/4.5=74...(8) H LEU 2 - HE22 GLN 50 far 0 63 0 - 7.6-12.1 Violated in 0 structures by 0.00 A. Peak 9086 from nnoeabs.peaks (4.42, 7.62, 112.80 ppm; 5.83 A): 1 out of 2 assignments used, quality = 0.94: HA GLN 50 + HE22 GLN 50 OK 94 94 100 100 3.1-4.4 5.7=100 HA GLU 48 - HE22 GLN 50 poor 18 98 30 62 2.6-8.7 12314/6.6=36...(6) 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 = 0.97: * HG3 GLN 50 + HE22 GLN 50 OK 95 100 95 100 2.1-4.1 3.5=100 HG2 GLN 50 + HE22 GLN 50 OK 45 75 60 100 2.2-4.1 3.5=100 HG3 GLU 48 - HE22 GLN 50 far 0 100 0 - 5.5-11.0 HG3 MET 1 - HE22 GLN 50 far 0 98 0 - 9.6-14.7 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 = 0.89: HG3 GLN 50 + HE22 GLN 50 OK 72 75 95 100 2.1-4.1 3.5=100 * HG2 GLN 50 + HE22 GLN 50 OK 60 100 60 100 2.2-4.1 3.5=100 HG3 GLU 48 - HE22 GLN 50 far 0 79 0 - 5.5-11.0 HG3 MET 1 - HE22 GLN 50 far 0 94 0 - 9.6-14.7 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 3 assignments used, quality = 1.00: * HB3 GLN 50 + HE22 GLN 50 OK 100 100 100 100 2.0-5.3 4.5=100 HG2 MET 1 - HE22 GLN 50 far 0 87 0 - 8.3-13.0 HB2 GLU 75 - HE22 GLN 50 far 0 59 0 - 9.5-14.2 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 2.1-4.4 4.5=100 HB3 GLU 48 - HE22 GLN 50 far 4 87 5 - 5.4-10.8 HB3 MET 1 - HE22 GLN 50 far 0 91 0 - 8.5-13.5 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 10 100 10 - 3.7-8.5 QD1 LEU 103 - HE22 GLN 50 far 0 87 0 - 6.7-19.9 QG2 ILE 76 - HE22 GLN 50 far 0 100 0 - 8.9-11.5 Violated in 19 structures by 1.72 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 5 100 5 - 4.4-9.9 QG2 ILE 52 - HE22 GLN 50 far 0 81 0 - 5.6-9.0 QD2 LEU 103 - HE22 GLN 50 far 0 92 0 - 8.0-19.9 Violated in 19 structures by 1.84 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 5 100 5 - 4.7-8.3 QD1 LEU 103 - HE21 GLN 50 far 0 94 0 - 7.2-19.6 QG2 ILE 76 - HE21 GLN 50 far 0 100 0 - 8.2-12.0 Violated in 19 structures by 1.60 A. Peak 9094 from nnoeabs.peaks (0.82, 6.92, 112.80 ppm; 4.75 A): 0 out of 4 assignments used, quality = 0.00: QD2 LEU 2 - HE21 GLN 50 far 0 99 0 - 5.1-9.7 QG2 ILE 52 - HE21 GLN 50 far 0 57 0 - 5.6-9.2 QD2 LEU 103 - HE21 GLN 50 far 0 99 0 - 8.7-19.3 QD1 ILE 76 - HE21 GLN 50 far 0 94 0 - 9.3-13.9 Violated in 19 structures by 2.16 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: H GLU 48 + H GLN 50 OK 99 99 100 100 4.7-4.9 6795/6806=90...(11) * HE22 GLN 50 + H GLN 50 OK 95 100 95 100 2.8-6.1 9096/3.0=91, 4.5/6813=80...(9) Violated in 0 structures by 0.00 A. Peak 9104 from nnoeabs.peaks (0.80, 8.55, 120.13 ppm; 5.99 A): 2 out of 5 assignments used, quality = 0.98: QG2 ILE 52 + H GLN 50 OK 95 95 100 100 4.0-4.5 9066/4.3=78...(13) QD2 LEU 2 + H GLN 50 OK 61 98 70 90 5.3-7.0 9098/5.1=36, 76/4.6=25...(13) QD1 ILE 76 - H GLN 50 far 0 100 0 - 8.0-9.1 QD2 LEU 42 - H GLN 50 far 0 79 0 - 9.5-10.2 QD2 LEU 103 - H GLN 50 far 0 75 0 - 9.9-18.0 Violated in 0 structures by 0.00 A. Peak 9105 from nnoeabs.peaks (1.68, 8.53, 118.16 ppm; 5.83 A): 2 out of 3 assignments used, quality = 1.00: HB ILE 52 + H ASN 51 OK 99 99 100 100 3.5-3.7 6860/6853=93...(12) HB2 LEU 2 + H ASN 51 OK 76 88 100 87 4.6-5.4 8046/10200=53...(9) HB3 LYS 53 - H ASN 51 far 0 100 0 - 8.3-8.6 Violated in 0 structures by 0.00 A. Peak 9106 from nnoeabs.peaks (1.47, 8.53, 118.16 ppm; 6.05 A increased from 5.69 A): 1 out of 6 assignments used, quality = 0.98: HG13 ILE 52 + H ASN 51 OK 98 98 100 100 5.5-5.9 5.1/6853=80...(9) HG2 LYS 53 - H ASN 51 far 5 100 5 - 6.1-6.9 HG3 LYS 53 - H ASN 51 far 0 100 0 - 6.4-7.1 HD2 LYS 53 - H ASN 51 far 0 99 0 - 7.5-8.9 HG13 ILE 76 - H ASN 51 far 0 71 0 - 9.4-10.6 HG2 LYS 47 - H ASN 51 far 0 90 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 9107 from nnoeabs.peaks (0.78, 8.53, 118.16 ppm; 4.72 A): 2 out of 5 assignments used, quality = 1.00: QG2 ILE 52 + H ASN 51 OK 100 100 100 100 3.7-4.2 6861/6853=76...(18) QD2 LEU 2 + H ASN 51 OK 53 71 80 93 4.4-5.2 9116/6836=52, 2.1/84=22...(16) QG1 VAL 78 - H ASN 51 far 0 77 0 - 8.7-9.7 QD1 ILE 76 - H ASN 51 far 0 85 0 - 8.9-10.0 QD2 LEU 42 - H ASN 51 far 0 99 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 9108 from nnoeabs.peaks (3.86, 8.53, 118.16 ppm; 6.38 A increased from 5.37 A): 1 out of 4 assignments used, quality = 1.00: HB3 SER 49 + H ASN 51 OK 100 100 100 100 5.6-6.1 3.0/9110=93, 1.8/9109=88...(8) HA2 GLY 101 - H ASN 51 far 0 100 0 - 8.9-13.1 HA3 GLY 101 - H ASN 51 far 0 77 0 - 9.4-11.8 HB2 SER 102 - H ASN 51 far 0 75 0 - 9.8-16.8 Violated in 0 structures by 0.00 A. Peak 9109 from nnoeabs.peaks (4.07, 8.53, 118.16 ppm; 6.16 A increased from 5.79 A): 1 out of 2 assignments used, quality = 0.99: HB2 SER 49 + H ASN 51 OK 99 99 100 99 5.4-6.2 3.0/9110=91, 1.8/9108=80...(5) HA ARG 46 - H ASN 51 far 0 99 0 - 7.4-8.1 Violated in 2 structures by 0.00 A. Peak 9110 from nnoeabs.peaks (4.26, 8.53, 118.16 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.96: HA SER 49 + H ASN 51 OK 96 97 100 99 4.0-4.3 2262/4.6=62...(14) Violated in 0 structures by 0.00 A. Peak 9117 from nnoeabs.peaks (2.41, 6.98, 112.98 ppm; 5.62 A): 2 out of 4 assignments used, quality = 1.00: HG2 GLN 50 + HD21 ASN 51 OK 97 98 100 99 2.0-5.5 3.7/9129=65, 2.9/9118=64...(12) HG3 GLN 50 + HD21 ASN 51 OK 91 93 100 98 2.4-5.9 3.7/9129=65, 2.9/9118=64...(12) HG3 GLU 48 - HD21 ASN 51 far 5 95 5 - 5.9-8.7 HG3 MET 1 - HD21 ASN 51 far 0 100 0 - 7.0-9.1 Violated in 0 structures by 0.00 A. Peak 9118 from nnoeabs.peaks (2.00, 6.98, 112.98 ppm; 5.22 A): 1 out of 3 assignments used, quality = 0.92: HB2 GLN 50 + HD21 ASN 51 OK 92 93 100 99 2.2-4.7 3.0/9129=63, 6829/5.7=43...(11) QE MET 1 - HD21 ASN 51 poor 20 81 25 98 5.0-6.6 8030/3.5=58, 8032/4.4=51...(10) HB3 MET 1 - HD21 ASN 51 far 5 100 5 - 5.4-7.6 Violated in 0 structures by 0.00 A. Peak 9119 from nnoeabs.peaks (1.50, 6.98, 112.98 ppm; 6.32 A increased from 5.32 A): 1 out of 3 assignments used, quality = 0.98: HG LEU 2 + HD21 ASN 51 OK 98 98 100 100 4.4-6.3 9125/1.7=97, 2.1/9120=95...(11) HG3 LYS 53 - HD21 ASN 51 far 0 68 0 - 7.7-9.5 HG2 LYS 53 - HD21 ASN 51 far 0 57 0 - 8.4-9.6 Violated in 0 structures by 0.00 A. Peak 9120 from nnoeabs.peaks (0.90, 6.98, 112.98 ppm; 5.37 A): 1 out of 3 assignments used, quality = 0.81: QD1 LEU 2 + HD21 ASN 51 OK 81 96 85 100 2.8-6.1 9126/1.7=88, 2.1/9121=62...(16) QD1 LEU 103 - HD21 ASN 51 far 0 70 0 - 6.9-16.1 QG2 ILE 76 - HD21 ASN 51 far 0 96 0 - 9.4-11.1 Violated in 4 structures by 0.09 A. Peak 9121 from nnoeabs.peaks (0.83, 6.98, 112.98 ppm; 6.12 A): 1 out of 3 assignments used, quality = 0.92: QD2 LEU 2 + HD21 ASN 51 OK 92 92 100 100 4.7-6.0 2.1/9120=93, 10128=82...(14) QD1 LEU 103 - HD21 ASN 51 far 0 65 0 - 6.9-16.1 QD2 LEU 103 - HD21 ASN 51 far 0 100 0 - 7.2-17.0 Violated in 0 structures by 0.00 A. Peak 9122 from nnoeabs.peaks (2.40, 7.68, 112.98 ppm; 6.34 A): 2 out of 4 assignments used, quality = 1.00: HG2 GLN 50 + HD22 ASN 51 OK 100 100 100 100 2.0-5.2 ~9118=60, 12283/9126=54...(11) HG3 GLN 50 + HD22 ASN 51 OK 74 75 100 99 2.3-5.7 ~9118=60, 3.7/9128=45...(11) HG3 GLU 48 - HD22 ASN 51 poor 20 79 25 - 5.5-8.1 HG3 MET 1 - HD22 ASN 51 far 0 94 0 - 7.1-8.4 Violated in 0 structures by 0.00 A. Peak 9123 from nnoeabs.peaks (2.32, 7.68, 112.98 ppm; 6.50 A increased from 5.70 A): 2 out of 2 assignments used, quality = 0.94: HB2 GLU 48 + HD22 ASN 51 OK 90 91 100 99 5.0-6.5 9114/3.5=79...(9) HG2 GLU 48 + HD22 ASN 51 OK 37 97 40 94 5.7-7.9 ~9114=53, ~10617=47...(8) Violated in 0 structures by 0.00 A. Peak 9124 from nnoeabs.peaks (1.99, 7.68, 112.98 ppm; 5.42 A): 2 out of 3 assignments used, quality = 0.95: QE MET 1 + HD22 ASN 51 OK 80 95 85 100 4.8-6.0 8030/3.5=76, 8036=70...(11) HB2 GLN 50 + HD22 ASN 51 OK 77 77 100 99 2.2-5.5 9118/1.7=69, 4.6/6838=56...(11) HB3 MET 1 - HD22 ASN 51 far 5 99 5 - 5.7-6.9 Violated in 0 structures by 0.00 A. Peak 9125 from nnoeabs.peaks (1.51, 7.68, 112.98 ppm; 5.40 A): 1 out of 2 assignments used, quality = 0.85: HG LEU 2 + HD22 ASN 51 OK 85 100 85 100 4.1-6.3 2.1/9126=84, 2.1/9127=72...(16) HB3 LEU 103 - HD22 ASN 51 far 0 97 0 - 10.0-17.9 Violated in 3 structures by 0.13 A. Peak 9126 from nnoeabs.peaks (0.90, 7.68, 112.98 ppm; 5.08 A): 1 out of 3 assignments used, quality = 0.96: QD1 LEU 2 + HD22 ASN 51 OK 96 96 100 100 2.6-5.1 9120/1.7=74, 2.1/9125=70...(20) QD1 LEU 103 - HD22 ASN 51 far 0 70 0 - 6.9-15.7 QG2 ILE 76 - HD22 ASN 51 far 0 96 0 - 9.6-10.9 Violated in 1 structures by 0.00 A. Peak 9127 from nnoeabs.peaks (0.81, 7.68, 112.98 ppm; 5.69 A): 1 out of 3 assignments used, quality = 0.85: QD2 LEU 2 + HD22 ASN 51 OK 85 100 85 100 4.5-6.1 2.1/9126=90, 2.1/9125=84...(18) QG2 ILE 52 - HD22 ASN 51 far 0 73 0 - 6.0-7.7 QD2 LEU 103 - HD22 ASN 51 far 0 96 0 - 6.9-16.6 Violated in 3 structures by 0.06 A. Peak 9128 from nnoeabs.peaks (4.41, 7.68, 112.98 ppm; 6.12 A): 2 out of 3 assignments used, quality = 0.99: HA GLN 50 + HD22 ASN 51 OK 98 98 100 100 4.3-5.6 9129/1.7=93, 3.6/6838=80...(10) HA GLU 48 + HD22 ASN 51 OK 56 94 65 92 5.6-8.2 ~9114=48, 3.0/9123=47...(10) HA SER 102 - HD22 ASN 51 far 0 77 0 - 8.7-16.2 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 4.3-5.5 3.0/9118=62...(12) HA GLU 48 - HD21 ASN 51 far 0 98 0 - 5.9-7.5 HA SER 102 - HD21 ASN 51 far 0 65 0 - 9.5-16.7 Violated in 0 structures by 0.00 A. Peak 9130 from nnoeabs.peaks (4.15, 6.98, 112.98 ppm; 5.83 A): 1 out of 1 assignment used, quality = 0.99: HA MET 1 + HD21 ASN 51 OK 99 99 100 100 3.6-5.9 8001/1.7=89, 8005/3.5=87...(9) Violated in 2 structures by 0.00 A. Peak 9137 from nnoeabs.peaks (6.45, 7.49, 117.93 ppm; 6.50 A increased from 5.62 A): 2 out of 2 assignments used, quality = 0.97: QD TYR 4 + H ILE 52 OK 92 98 95 99 6.5-6.8 14698/5.1=52...(10) QE TYR 4 + H ILE 52 OK 60 100 60 100 6.3-7.1 8159/4.8=83, 8156/5.1=65...(9) Violated in 0 structures by 0.00 A. Peak 9139 from nnoeabs.peaks (4.42, 7.49, 117.93 ppm; 5.02 A): 1 out of 3 assignments used, quality = 0.82: HA GLN 50 + H ILE 52 OK 82 90 100 91 4.5-5.1 3.6/6853=82...(3) HA GLU 48 - H ILE 52 far 5 99 5 - 5.2-6.1 HA ILE 76 - H ILE 52 far 0 99 0 - 6.6-7.8 Violated in 3 structures by 0.00 A. Peak 9153 from nnoeabs.peaks (0.90, 7.49, 117.93 ppm; 5.12 A): 1 out of 3 assignments used, quality = 0.96: QD1 LEU 2 + H ILE 52 OK 96 96 100 100 2.9-4.3 12272/3.0=68...(19) QG2 ILE 76 - H ILE 52 poor 11 96 25 44 5.1-6.0 302/6861=25...(3) QD1 LEU 103 - H ILE 52 far 0 70 0 - 6.2-15.0 Violated in 0 structures by 0.00 A. Peak 9154 from nnoeabs.peaks (1.99, 7.49, 117.93 ppm; 4.71 A): 1 out of 6 assignments used, quality = 0.98: QE MET 1 + H ILE 52 OK 98 99 100 100 4.3-4.7 8037=94, 8032/6854=74...(13) HB2 GLN 50 - H ILE 52 far 0 65 0 - 5.5-6.0 HB3 MET 1 - H ILE 52 far 0 96 0 - 7.6-8.3 HB2 ARG 46 - H ILE 52 far 0 98 0 - 9.0-9.8 HB3 ARG 46 - H ILE 52 far 0 81 0 - 9.4-9.9 HB2 LYS 47 - H ILE 52 far 0 93 0 - 9.6-10.0 Violated in 2 structures by 0.00 A. Peak 9178 from nnoeabs.peaks (5.13, 8.47, 123.25 ppm; 3.86 A): 1 out of 4 assignments used, quality = 1.00: HA LEU 3 + H LYS 53 OK 100 100 100 100 2.3-2.8 8064=88, 125/9182=50...(18) HA VAL 54 - H LYS 53 far 0 79 0 - 4.6-4.9 HA TYR 4 - H LYS 53 far 0 98 0 - 5.7-6.2 HA VAL 5 - H LYS 53 far 0 87 0 - 7.4-8.2 Violated in 0 structures by 0.00 A. Peak 9179 from nnoeabs.peaks (2.44, 8.47, 123.25 ppm; 6.35 A increased from 5.98 A): 2 out of 6 assignments used, quality = 0.99: HG3 MET 1 + H LYS 53 OK 90 95 95 100 5.6-6.7 1.8/9180=94...(8) HB3 TYR 4 + H LYS 53 OK 86 88 100 98 5.8-6.4 3.8/11098=90...(6) HG3 GLU 48 - H LYS 53 far 0 100 0 - 7.1-8.6 HG3 GLU 99 - H LYS 53 far 0 100 0 - 8.9-13.3 HG2 GLN 50 - H LYS 53 far 0 68 0 - 9.5-11.3 HG3 GLN 50 - H LYS 53 far 0 100 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 9180 from nnoeabs.peaks (2.21, 8.47, 123.25 ppm; 5.76 A): 1 out of 1 assignment used, quality = 0.95: HG2 MET 1 + H LYS 53 OK 95 96 100 100 5.0-5.7 8100/9182=77...(8) Violated in 0 structures by 0.00 A. Peak 9181 from nnoeabs.peaks (0.47, 8.47, 123.25 ppm; 5.78 A increased from 5.44 A): 1 out of 3 assignments used, quality = 0.99: QD1 LEU 3 + H LYS 53 OK 99 99 100 100 5.2-5.8 2.1/9182=100...(16) QD1 LEU 55 - H LYS 53 far 0 63 0 - 8.1-8.8 QD2 LEU 55 - H LYS 53 far 0 68 0 - 8.3-8.9 Violated in 1 structures by 0.00 A. Peak 9182 from nnoeabs.peaks (0.27, 8.47, 123.25 ppm; 4.06 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 3 + H LYS 53 OK 99 99 100 100 3.3-4.0 8078=93, 125/9178=58...(19) 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 4.6-5.3 3.0/9178=95, 3.1/9182=92...(7) Violated in 0 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 = 0.99: HG LEU 3 + H LYS 53 OK 93 93 100 100 3.9-4.6 2.1/9182=93, 3.7/9178=77...(14) HB3 LEU 2 + H LYS 53 OK 88 96 100 91 4.6-5.2 8047/6868=64...(6) HB3 LEU 27 - H LYS 53 far 0 84 0 - 7.2-8.2 QB ALA 25 - H LYS 53 far 0 91 0 - 9.7-10.3 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 5 assignments used, quality = 0.81: QE MET 1 + H LYS 53 OK 81 81 100 100 4.2-5.1 8101/9182=79...(15) HB3 MET 1 - H LYS 53 far 0 100 0 - 7.7-8.6 HB3 GLU 99 - H LYS 53 far 0 71 0 - 9.3-12.9 HB2 GLU 99 - H LYS 53 far 0 59 0 - 9.4-11.9 HB2 GLN 50 - H LYS 53 far 0 93 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 9208 from nnoeabs.peaks (6.46, 8.47, 123.25 ppm; 5.23 A): 2 out of 2 assignments used, quality = 0.98: QE TYR 4 + H LYS 53 OK 92 95 100 98 4.2-5.4 8126/11098=44...(13) QD TYR 4 + H LYS 53 OK 78 79 100 98 3.0-3.7 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 3.9-5.1 2.2/9219=83, 9220/3.0=79...(15) Violated in 0 structures by 0.00 A. Peak 9219 from nnoeabs.peaks (7.07, 8.49, 120.76 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.99: HZ PHE 96 + H VAL 54 OK 99 99 100 100 2.7-4.5 9221/3.0=73, 2.2/9218=69...(13) Violated in 0 structures by 0.00 A. Peak 9241 from nnoeabs.peaks (2.63, 8.49, 120.76 ppm; 6.28 A increased from 5.91 A): 1 out of 2 assignments used, quality = 1.00: HB3 ASP 77 + H VAL 54 OK 100 100 100 100 5.2-6.2 1.8/9242=99...(8) HB3 TYR 41 - H VAL 54 far 0 100 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 9242 from nnoeabs.peaks (3.22, 8.49, 120.76 ppm; 5.12 A increased from 4.82 A): 1 out of 1 assignment used, quality = 0.98: HB2 ASP 77 + H VAL 54 OK 98 98 100 100 4.3-4.9 9673/6886=72...(11) Violated in 0 structures by 0.00 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 3.4-4.3 10669/2.9=60...(16) Violated in 3 structures by 0.00 A. Peak 9292 from nnoeabs.peaks (7.07, 8.64, 131.90 ppm; 4.65 A increased from 4.13 A): 2 out of 3 assignments used, quality = 0.99: HZ PHE 96 + H LEU 55 OK 99 100 100 99 3.6-4.5 2.2/9291=81...(9) QD PHE 96 + H LEU 55 OK 22 63 35 98 4.6-5.4 2.2/9291=81, ~10669=46...(10) HZ3 TRP 92 - H LEU 55 far 0 100 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 9293 from nnoeabs.peaks (8.36, 8.64, 131.90 ppm; 4.45 A): 1 out of 2 assignments used, quality = 1.00: H TYR 4 + H LEU 55 OK 100 100 100 100 3.9-4.5 8121=97, 10203/6902=67...(11) H ILE 93 - H LEU 55 far 0 100 0 - 8.8-9.8 Violated in 1 structures by 0.00 A. Peak 9294 from nnoeabs.peaks (9.31, 8.64, 131.90 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.99: H LEU 6 + H LEU 55 OK 99 99 100 100 3.0-3.6 8199=91, 6059/9295=74...(12) 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 = 0.95: HA VAL 5 + H LEU 55 OK 95 96 100 99 1.9-2.1 8164=55, 3.2/6909=42...(17) HA LEU 3 - H LEU 55 far 0 63 0 - 5.8-6.5 Violated in 0 structures by 0.00 A. Peak 9296 from nnoeabs.peaks (8.93, 8.64, 131.90 ppm; 5.67 A): 1 out of 2 assignments used, quality = 0.97: H VAL 5 + H LEU 55 OK 97 97 100 100 4.0-4.2 3.0/9295=99, 8161=93...(11) H LEU 57 - H LEU 55 far 0 100 0 - 6.0-6.5 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 3.3-3.7 9697=96, 11117/6915=68...(14) H VAL 54 - H ILE 56 far 0 88 0 - 5.6-6.3 H VAL 58 - H ILE 56 far 0 79 0 - 6.6-6.8 H ALA 67 - H ILE 56 far 0 71 0 - 8.7-9.1 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 4.2-4.5 9753=87, 7311/9299=80...(12) H LYS 82 - H ILE 56 far 0 71 0 - 8.6-8.7 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 3.0-3.2 9701=85, 10293/3.8=45...(16) Violated in 0 structures by 0.00 A. Peak 9300 from nnoeabs.peaks (5.20, 9.19, 126.37 ppm; 5.11 A): 1 out of 2 assignments used, quality = 0.93: HA VAL 78 + H ILE 56 OK 93 100 95 98 4.7-5.5 7284/9697=79...(7) HA VAL 54 - H ILE 56 poor 13 63 20 - 5.3-5.6 Violated in 3 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 = 0.99: HA VAL 5 + H ILE 56 OK 99 100 100 100 4.9-5.1 6059/11108=73...(11) HA ILE 7 - H ILE 56 far 0 93 0 - 7.0-7.1 HA TYR 4 - H ILE 56 far 0 75 0 - 8.8-9.3 HA LEU 3 - H ILE 56 far 0 96 0 - 9.5-10.1 Violated in 1 structures by 0.00 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 4.9-5.3 9528/4.0=91...(11) HG12 ILE 8 - H ILE 56 far 0 92 0 - 7.3-8.2 QB ALA 89 - H ILE 56 far 0 100 0 - 8.7-9.2 HB3 ARG 30 - H ILE 56 far 0 81 0 - 9.3-9.7 HB2 LEU 70 - H ILE 56 far 0 84 0 - 9.5-10.2 HB2 LYS 82 - H ILE 56 far 0 100 0 - 9.8-10.2 HG3 LYS 68 - H ILE 56 far 0 100 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 9319 from nnoeabs.peaks (3.67, 9.19, 126.37 ppm; 5.97 A increased from 5.62 A): 1 out of 2 assignments used, quality = 0.99: HB THR 80 + H ILE 56 OK 99 99 100 100 5.8-5.8 2.1/10914=99...(9) HA LEU 42 - H ILE 56 far 0 70 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 9331 from nnoeabs.peaks (8.78, 8.93, 126.55 ppm; 4.21 A): 1 out of 3 assignments used, quality = 0.98: H ILE 8 + H LEU 57 OK 98 98 100 100 3.7-4.1 8292=94, 6087/9332=71...(13) H ARG 81 - H LEU 57 far 0 84 0 - 4.8-5.0 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 2.7-2.9 8239=77, 6087/8292=45...(15) HA VAL 5 - H LEU 57 far 0 90 0 - 5.4-5.9 HA VAL 54 - H LEU 57 far 0 75 0 - 7.9-8.4 HA TYR 4 - H LEU 57 far 0 96 0 - 9.8-10.3 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 1 assignment used, quality = 0.98: H LEU 6 + H LEU 57 OK 98 98 100 100 3.5-4.1 6058=79, 8216/6930=70...(14) Violated in 0 structures by 0.00 A. Peak 9348 from nnoeabs.peaks (0.99, 8.93, 126.55 ppm; 4.35 A): 1 out of 5 assignments used, quality = 0.74: HG LEU 55 + H LEU 57 OK 74 82 100 90 4.2-4.5 2.1/9349=52...(8) QG2 THR 80 - H LEU 57 far 0 99 0 - 4.9-5.2 HB3 LEU 55 - H LEU 57 far 0 65 0 - 5.0-6.8 QG2 VAL 83 - H LEU 57 far 0 81 0 - 5.1-5.2 QG1 VAL 83 - H LEU 57 far 0 93 0 - 5.8-6.4 Violated in 1 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 4.9-5.5 2.1/9348=94...(11) HG2 ARG 81 - H LEU 57 far 0 96 0 - 6.9-8.2 Violated in 2 structures by 0.01 A. Peak 9366 from nnoeabs.peaks (0.99, 8.54, 114.40 ppm; 3.92 A): 2 out of 5 assignments used, quality = 0.93: QG2 VAL 83 + H VAL 58 OK 89 90 100 100 3.2-3.5 9788=67, 3748/9771=46...(14) QG2 THR 80 + H VAL 58 OK 34 100 35 98 4.1-4.6 10223/6954=61...(11) QG1 VAL 83 - H VAL 58 far 4 85 5 - 4.0-4.8 HG LEU 55 - H VAL 58 far 0 91 0 - 6.5-6.9 QG2 VAL 5 - H VAL 58 far 0 59 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 9371 from nnoeabs.peaks (1.37, 8.54, 114.40 ppm; 5.16 A increased from 4.86 A): 2 out of 5 assignments used, quality = 0.96: HB2 LYS 82 + H VAL 58 OK 87 87 100 100 4.9-5.2 3.0/9372=90, 4.6/9771=65...(10) QB ALA 67 + H VAL 58 OK 71 77 100 92 5.0-5.3 9384/6954=37...(9) HG12 ILE 8 - H VAL 58 far 0 100 0 - 5.7-6.6 QB ALA 89 - H VAL 58 far 0 81 0 - 6.6-7.0 HG LEU 14 - H VAL 58 far 0 95 0 - 8.8-9.4 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 2.8-3.0 11123=66, 10228/6953=58...(15) HA LEU 55 - H VAL 58 far 0 84 0 - 8.0-8.3 HA ARG 79 - H VAL 58 far 0 96 0 - 9.5-9.8 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 3.3-3.8 9771=100, 7343/9372=64...(13) Violated in 0 structures by 0.00 A. Peak 9396 from nnoeabs.peaks (0.81, 8.80, 115.50 ppm; 4.48 A): 1 out of 8 assignments used, quality = 0.92: QG2 ILE 8 + H SER 59 OK 92 92 100 100 3.4-4.5 2.1/9400=77...(13) QD1 LEU 57 - H SER 59 far 0 91 0 - 6.6-6.8 QD2 LEU 57 - H SER 59 far 0 99 0 - 7.3-7.9 QG2 ILE 7 - H SER 59 far 0 99 0 - 7.6-8.0 QD2 LEU 38 - H SER 59 far 0 96 0 - 7.7-8.2 QG2 VAL 32 - H SER 59 far 0 85 0 - 8.7-9.2 QG2 ILE 15 - H SER 59 far 0 100 0 - 9.7-10.4 QD1 LEU 70 - H SER 59 far 0 99 0 - 9.9-10.5 Violated in 0 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 4.6-4.9 10728/3.0=95...(8) QG1 VAL 83 - H SER 59 far 0 63 0 - 6.6-7.0 QG2 THR 80 - H SER 59 far 0 100 0 - 6.7-7.4 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 6.3-6.7 3.0/10724=86...(8) QB ALA 67 + H SER 59 OK 98 100 100 98 6.5-6.7 9384/6961=74...(5) HG12 ILE 8 + H SER 59 OK 75 84 90 100 6.4-6.9 2.9/9400=99, 3.1/9396=97...(6) QB ALA 89 - H SER 59 far 0 100 0 - 8.1-8.5 HG LEU 14 - H SER 59 far 0 98 0 - 8.6-9.1 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 4 assignments used, quality = 1.00: HB3 GLU 63 + H SER 59 OK 100 100 100 100 3.1-3.4 1.8/9401=79...(10) HB3 LYS 82 - H SER 59 far 0 98 0 - 7.0-7.2 HB ILE 56 - H SER 59 far 0 98 0 - 8.7-9.2 HB2 GLU 88 - H SER 59 far 0 71 0 - 9.6-10.0 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 3 assignments used, quality = 0.99: HB ILE 8 + H SER 59 OK 99 99 100 100 3.7-4.3 9374/6958=72...(8) HB VAL 32 - H SER 59 far 0 63 0 - 8.3-8.8 HB3 LEU 14 - H SER 59 far 0 100 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 9401 from nnoeabs.peaks (2.19, 8.80, 115.50 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: HB2 GLU 63 + H SER 59 OK 100 100 100 100 3.6-3.9 1.8/9399=77...(9) Violated in 0 structures by 0.00 A. Peak 9402 from nnoeabs.peaks (3.93, 8.80, 115.50 ppm; 6.44 A increased from 5.43 A): 2 out of 2 assignments used, quality = 0.98: HA GLU 63 + H SER 59 OK 96 96 100 100 5.9-6.2 3.0/9401=98, 3.0/9399=97...(7) HB3 SER 9 + H SER 59 OK 59 100 65 91 5.2-7.3 3.0/9403=83, 8349=34 Violated in 0 structures by 0.00 A. Peak 9403 from nnoeabs.peaks (4.43, 8.80, 115.50 ppm; 5.82 A): 1 out of 2 assignments used, quality = 0.98: HA SER 9 + H SER 59 OK 98 100 100 98 4.8-5.4 9405/6964=76...(6) HB THR 84 - H SER 59 far 0 99 0 - 8.0-8.4 Violated in 0 structures by 0.00 A. Peak 9410 from nnoeabs.peaks (2.59, 7.73, 117.52 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: HB VAL 58 + H ASN 60 OK 100 100 100 100 2.4-2.7 2.1/9420=76...(15) Violated in 0 structures by 0.00 A. Peak 9411 from nnoeabs.peaks (2.53, 7.73, 117.52 ppm; 4.71 A increased from 4.44 A): 1 out of 2 assignments used, quality = 0.98: HG3 GLU 63 + H ASN 60 OK 98 98 100 100 3.1-4.5 1.8/9412=84, 3.0/9414=77...(10) HB2 ASP 61 - H ASN 60 far 0 94 0 - 7.0-7.3 Violated in 0 structures by 0.00 A. Peak 9412 from nnoeabs.peaks (2.29, 7.73, 117.52 ppm; 4.51 A): 1 out of 4 assignments used, quality = 0.99: HG2 GLU 63 + H ASN 60 OK 99 99 100 100 3.9-4.7 2792=83, 1.8/9411=73...(12) HG3 GLU 62 - H ASN 60 far 0 88 0 - 8.3-9.1 HG2 GLU 62 - H ASN 60 far 0 88 0 - 8.4-9.0 HD3 ARG 81 - H ASN 60 far 0 90 0 - 9.8-11.9 Violated in 2 structures by 0.02 A. Peak 9413 from nnoeabs.peaks (2.19, 7.73, 117.52 ppm; 4.11 A increased from 3.66 A): 1 out of 1 assignment used, quality = 1.00: HB2 GLU 63 + H ASN 60 OK 100 100 100 100 3.9-3.9 1.8/9414=79, 3.0/9412=53...(12) Violated in 0 structures by 0.00 A. Peak 9414 from nnoeabs.peaks (1.78, 7.73, 117.52 ppm; 3.98 A): 1 out of 3 assignments used, quality = 1.00: HB3 GLU 63 + H ASN 60 OK 100 100 100 100 2.5-2.7 1.8/9413=72, 3.0/9412=50...(13) HB3 LYS 82 - H ASN 60 far 0 96 0 - 6.1-6.5 HB ILE 56 - H ASN 60 far 0 95 0 - 9.2-9.8 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 4 assignments used, quality = 0.85: HB3 LEU 64 + H ASN 60 OK 85 98 90 96 4.4-5.1 10747/9414=53...(9) HG LEU 64 - H ASN 60 far 0 90 0 - 7.4-7.9 HG2 LYS 66 - H ASN 60 far 0 99 0 - 8.8-9.9 HG3 LYS 66 - H ASN 60 far 0 99 0 - 9.4-10.2 Violated in 3 structures by 0.03 A. Peak 9416 from nnoeabs.peaks (1.34, 7.73, 117.52 ppm; 5.67 A increased from 5.34 A): 1 out of 4 assignments used, quality = 1.00: HB2 LYS 82 + H ASN 60 OK 100 100 100 100 5.4-5.7 2.9/9417=87, 3.0/9421=81...(12) QB ALA 67 - H ASN 60 far 0 100 0 - 6.5-6.8 HG12 ILE 8 - H ASN 60 far 0 88 0 - 7.8-8.3 QB ALA 89 - H ASN 60 far 0 100 0 - 9.3-9.7 Violated in 3 structures by 0.00 A. Peak 9417 from nnoeabs.peaks (1.15, 7.73, 117.52 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.99: HG3 LYS 82 + H ASN 60 OK 99 99 100 100 3.9-4.7 1.8/9418=60, 10929=58...(13) Violated in 4 structures by 0.00 A. Peak 9418 from nnoeabs.peaks (1.06, 7.73, 117.52 ppm; 5.40 A): 1 out of 2 assignments used, quality = 1.00: HG2 LYS 82 + H ASN 60 OK 100 100 100 100 3.2-3.5 1.8/9417=95...(16) HB3 ARG 81 - H ASN 60 far 0 100 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 9419 from nnoeabs.peaks (0.81, 7.73, 117.52 ppm; 5.17 A): 1 out of 7 assignments used, quality = 0.84: QG2 ILE 8 + H ASN 60 OK 84 88 95 100 4.5-5.5 9396/6967=78...(9) QD1 LEU 57 - H ASN 60 far 0 94 0 - 7.2-7.5 QD2 LEU 57 - H ASN 60 far 0 97 0 - 7.9-8.9 QD2 LEU 38 - H ASN 60 far 0 98 0 - 8.4-9.0 QG2 ILE 7 - H ASN 60 far 0 99 0 - 9.2-9.5 QG2 VAL 32 - H ASN 60 far 0 90 0 - 9.8-10.3 QD1 LEU 70 - H ASN 60 far 0 100 0 - 9.9-10.4 Violated in 3 structures by 0.04 A. Peak 9420 from nnoeabs.peaks (0.70, 7.73, 117.52 ppm; 3.25 A): 1 out of 7 assignments used, quality = 0.85: QG2 VAL 58 + H ASN 60 OK 85 85 100 99 1.9-2.6 2.1/9410=55...(22) QG1 VAL 58 - H ASN 60 far 0 92 0 - 4.1-4.2 QD1 ILE 8 - H ASN 60 far 0 99 0 - 5.5-6.0 QD2 LEU 14 - H ASN 60 far 0 99 0 - 7.0-7.4 QD1 LEU 14 - H ASN 60 far 0 88 0 - 7.2-7.7 HG3 ARG 81 - H ASN 60 far 0 59 0 - 8.3-11.9 QD1 ILE 56 - H ASN 60 far 0 100 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 9421 from nnoeabs.peaks (4.71, 7.73, 117.52 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 82 + H ASN 60 OK 100 100 100 100 4.7-5.0 10228/9420=70...(10) Violated in 2 structures by 0.00 A. Peak 9422 from nnoeabs.peaks (5.26, 7.73, 117.52 ppm; 4.38 A increased from 4.12 A): 1 out of 1 assignment used, quality = 1.00: HA VAL 58 + H ASN 60 OK 100 100 100 100 4.1-4.2 10708=82, 6958/6967=80...(11) Violated in 0 structures by 0.00 A. Peak 9425 from nnoeabs.peaks (2.52, 6.87, 113.68 ppm; 4.43 A): 1 out of 2 assignments used, quality = 1.00: HG3 GLU 63 + HD21 ASN 60 OK 100 100 100 100 1.9-2.2 1.8/9426=70, 9430/1.7=65...(12) HB2 ASP 61 - HD21 ASN 60 far 0 100 0 - 7.6-8.3 Violated in 0 structures by 0.00 A. Peak 9426 from nnoeabs.peaks (2.30, 6.87, 113.68 ppm; 4.75 A): 1 out of 1 assignment used, quality = 0.99: HG2 GLU 63 + HD21 ASN 60 OK 99 99 100 100 2.3-3.1 1.8/9425=86...(10) Violated in 0 structures by 0.00 A. Peak 9427 from nnoeabs.peaks (2.23, 6.87, 113.68 ppm; 5.25 A): 1 out of 3 assignments used, quality = 0.79: HB2 GLU 63 + HD21 ASN 60 OK 79 79 100 100 4.1-4.8 3.0/9425=82, 3.0/9426=77...(9) HG3 GLU 62 - HD21 ASN 60 far 0 63 0 - 6.7-7.7 HG2 GLU 62 - HD21 ASN 60 far 0 63 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 9428 from nnoeabs.peaks (2.11, 6.87, 113.68 ppm; 5.70 A increased from 5.36 A): 1 out of 3 assignments used, quality = 0.85: HB3 GLU 62 + HD21 ASN 60 OK 85 88 100 97 4.4-5.7 1.8/9429=90, 4.6/9439=67 HB2 LEU 64 - HD21 ASN 60 far 0 100 0 - 7.5-8.0 HB3 GLU 35 - HD21 ASN 60 far 0 75 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 9429 from nnoeabs.peaks (2.00, 6.87, 113.68 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.85: HB2 GLU 62 + HD21 ASN 60 OK 85 94 100 90 4.4-5.3 1.8/9428=73, 4.6/9439=59 Violated in 1 structures by 0.00 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 3.1-3.7 9425/1.7=90, 9423/3.5=68...(11) HB2 ASP 61 - HD22 ASN 60 far 0 98 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 9431 from nnoeabs.peaks (2.30, 7.37, 113.68 ppm; 5.55 A): 1 out of 1 assignment used, quality = 0.99: HG2 GLU 63 + HD22 ASN 60 OK 99 99 100 100 3.2-4.3 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 = 0.68: HB2 GLU 63 + HD22 ASN 60 OK 68 68 100 100 5.3-5.6 9427/1.7=93, 3.0/9430=86...(10) HG3 GLU 62 - HD22 ASN 60 far 0 75 0 - 8.3-9.3 HG2 GLU 62 - HD22 ASN 60 far 0 75 0 - 8.4-9.2 Violated in 0 structures by 0.00 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 3.6-5.2 9434/1.7=89, 6969/6975=77 HA GLU 62 - HD22 ASN 60 far 0 68 0 - 8.5-8.7 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 4.4-5.9 9433/1.7=78, 6969/6978=67 HA GLU 62 - HD21 ASN 60 far 0 79 0 - 6.8-7.0 Violated in 0 structures by 0.00 A. Peak 9435 from nnoeabs.peaks (8.40, 7.73, 117.52 ppm; 4.32 A): 1 out of 2 assignments used, quality = 0.94: H GLU 63 + H ASN 60 OK 94 94 100 100 4.2-4.3 4.0/9414=54...(13) H GLU 62 - H ASN 60 far 0 100 0 - 5.5-5.6 Violated in 2 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 4.7-5.4 10721/3.6=85...(11) Violated in 0 structures by 0.00 A. Peak 9439 from nnoeabs.peaks (8.40, 6.87, 113.68 ppm; 4.76 A): 1 out of 2 assignments used, quality = 0.94: H GLU 63 + HD21 ASN 60 OK 94 94 100 100 3.5-3.7 9440/1.7=65...(11) H GLU 62 - HD21 ASN 60 far 5 100 5 - 5.1-5.3 Violated in 0 structures by 0.00 A. Peak 9440 from nnoeabs.peaks (8.40, 7.37, 113.68 ppm; 5.34 A increased from 5.03 A): 1 out of 2 assignments used, quality = 0.98: H GLU 63 + HD22 ASN 60 OK 98 98 100 100 5.2-5.4 9439/1.7=92...(7) H GLU 62 - HD22 ASN 60 far 0 99 0 - 6.6-6.7 Violated in 1 structures by 0.00 A. Peak 9442 from nnoeabs.peaks (2.09, 8.58, 119.43 ppm; 5.64 A): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 62 + H ASP 61 OK 98 100 100 98 4.5-4.7 7007/7001=95, ~10743=51 HB2 LEU 64 + H ASP 61 OK 93 93 100 100 5.1-5.3 9449/3.0=92, ~9481=74...(10) 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 1 assignment used, quality = 1.00: HD3 LYS 82 + H ASP 61 OK 100 100 100 100 3.3-4.0 10938/6991=80...(12) Violated in 0 structures by 0.00 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 4.0-4.5 1.8/9443=82, 9766/3.0=59...(10) HB3 LEU 64 - H ASP 61 far 0 100 0 - 5.8-6.1 HG LEU 64 - H ASP 61 far 0 100 0 - 7.7-8.0 HG2 LYS 66 - H ASP 61 far 0 100 0 - 8.2-9.1 HG3 LYS 66 - H ASP 61 far 0 99 0 - 9.2-9.9 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 = 0.98: HB2 ASN 60 + H GLU 62 OK 98 100 100 99 3.3-3.5 1.8/9454=84...(6) HE3 LYS 66 - H GLU 62 far 0 100 0 - 6.5-10.3 HE2 LYS 66 - H GLU 62 far 0 100 0 - 7.1-9.8 HE2 LYS 68 - H GLU 62 far 0 99 0 - 8.3-11.9 HE3 LYS 68 - H GLU 62 far 0 99 0 - 8.4-11.9 Violated in 0 structures by 0.00 A. Peak 9454 from nnoeabs.peaks (3.06, 8.40, 122.15 ppm; 4.18 A): 1 out of 1 assignment used, quality = 0.93: HB3 ASN 60 + H GLU 62 OK 93 100 100 94 3.4-3.5 1.8/9453=70...(4) 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 2.3-2.4 9423/7023=80...(10) HE3 LYS 66 - H GLU 63 far 0 100 0 - 6.3-9.4 HE2 LYS 66 - H GLU 63 far 0 100 0 - 6.9-9.1 HE3 LYS 68 - H GLU 63 far 0 99 0 - 8.5-11.7 HE2 LYS 68 - H GLU 63 far 0 99 0 - 8.6-11.6 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 1 assignment used, quality = 0.99: HA ASP 61 + H GLU 63 OK 99 100 100 100 4.6-4.8 9470/7024=88...(8) Violated in 0 structures by 0.00 A. Peak 9457 from nnoeabs.peaks (0.71, 8.38, 119.08 ppm; 4.32 A): 2 out of 15 assignments used, quality = 0.94: QG1 VAL 58 + H GLU 63 OK 79 99 80 100 4.6-4.7 10225/7021=61, 10720=57...(15) QG2 VAL 58 + H GLU 63 OK 69 70 100 100 4.0-4.4 2.1/10720=54...(19) QD2 LEU 27 - H TYR 4 poor 12 48 25 - 4.5-5.4 QD1 ILE 52 - H TYR 4 far 5 53 10 - 4.6-5.7 QD1 ILE 8 - H GLU 63 far 0 100 0 - 5.6-6.0 QG1 VAL 5 - H TYR 4 far 0 51 0 - 5.9-6.2 QG1 VAL 78 - H TYR 4 far 0 31 0 - 6.1-6.9 QD1 LEU 64 - H GLU 63 far 0 73 0 - 6.5-6.6 QD2 LEU 6 - H TYR 4 far 0 46 0 - 7.6-8.0 QG2 VAL 78 - H TYR 4 far 0 55 0 - 8.0-8.7 QD1 ILE 56 - H TYR 4 far 0 58 0 - 8.3-8.7 HG13 ILE 56 - H TYR 4 far 0 58 0 - 8.6-9.1 QD1 ILE 56 - H GLU 63 far 0 100 0 - 8.9-9.2 HG13 ILE 93 - H TYR 4 far 0 34 0 - 9.1-10.5 QD1 LEU 42 - H TYR 4 far 0 48 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 9458 from nnoeabs.peaks (1.49, 8.38, 119.08 ppm; 5.41 A increased from 4.81 A): 5 out of 16 assignments used, quality = 1.00: HB3 LEU 64 + H GLU 63 OK 100 100 100 100 5.3-5.4 7037/7024=96, 10251=91...(11) HG2 LYS 66 + H GLU 63 OK 90 100 90 99 4.8-5.9 ~2771=56, ~2896=53...(13) HG3 LYS 53 + H TYR 4 OK 39 44 95 93 5.1-5.8 5.0/11098=53...(10) HG3 LYS 66 + H GLU 63 OK 34 100 35 98 5.4-6.2 ~2771=56, ~2896=53...(9) HG13 ILE 52 + H TYR 4 OK 23 31 100 73 4.2-5.5 10208/9227=30...(6) HB2 LEU 27 - H TYR 4 far 0 31 0 - 5.7-6.8 HG2 LYS 53 - H TYR 4 far 0 38 0 - 5.8-6.4 HD2 LYS 82 - H GLU 63 far 0 70 0 - 6.1-7.0 HD2 LYS 53 - H TYR 4 far 0 34 0 - 6.1-7.6 HG LEU 6 - H TYR 4 far 0 36 0 - 6.9-7.3 HG LEU 64 - H GLU 63 far 0 98 0 - 7.0-7.1 HG LEU 2 - H TYR 4 far 0 47 0 - 7.8-8.4 HG12 ILE 56 - H TYR 4 far 0 29 0 - 8.0-8.5 HG LEU 38 - H GLU 63 far 0 70 0 - 8.7-9.4 HG3 ARG 30 - H TYR 4 far 0 30 0 - 9.2-11.2 HB2 LEU 38 - H GLU 63 far 0 61 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 9467 from nnoeabs.peaks (0.69, 7.72, 120.36 ppm; 3.42 A): 2 out of 13 assignments used, quality = 1.00: QG2 VAL 58 + H LEU 64 OK 99 99 100 100 2.4-2.8 9475/3.0=55, 9392=50...(20) QG1 VAL 58 + H LEU 64 OK 65 68 100 97 3.4-3.6 2.1/10237=37...(15) QD1 ILE 8 - H LEU 64 far 0 87 0 - 5.3-5.7 QD1 ILE 8 - H GLU 37 far 0 32 0 - 6.6-7.0 QD2 LEU 6 - H GLU 37 far 0 43 0 - 7.1-7.5 QD1 ILE 56 - H LEU 64 far 0 90 0 - 7.4-7.7 QD1 LEU 42 - H GLU 37 far 0 42 0 - 7.5-7.8 QD1 ILE 56 - H GLU 37 far 0 34 0 - 8.9-9.5 QG2 VAL 78 - H LEU 64 far 0 65 0 - 9.2-9.6 QG1 VAL 58 - H GLU 37 far 0 23 0 - 9.3-9.9 HG13 ILE 56 - H LEU 64 far 0 79 0 - 9.8-10.1 QD2 LEU 14 - H LEU 64 far 0 88 0 - 9.9-10.4 QD1 LEU 42 - H LEU 64 far 0 100 0 - 10.0-10.5 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 4.8-5.3 9476/3.0=92...(10) QG2 VAL 83 - H LEU 64 far 0 95 0 - 7.9-8.2 QG1 VAL 83 - H LEU 64 far 0 77 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 9469 from nnoeabs.peaks (1.35, 7.72, 120.36 ppm; 4.60 A): 1 out of 10 assignments used, quality = 0.93: QB ALA 67 + H LEU 64 OK 93 93 100 100 4.3-4.6 2809/3.0=74...(13) HB2 LYS 82 - H LEU 64 far 0 98 0 - 5.4-6.0 HG3 LYS 40 - H GLU 37 far 0 42 0 - 5.5-7.2 HG3 LYS 68 - H LEU 64 far 0 100 0 - 7.8-8.0 HG2 LYS 39 - H GLU 37 far 0 40 0 - 8.1-8.5 HG12 ILE 8 - H LEU 64 far 0 100 0 - 8.3-8.9 HG12 ILE 8 - H GLU 37 far 0 42 0 - 8.5-9.3 QB ALA 67 - H GLU 37 far 0 36 0 - 8.6-9.2 HB2 LEU 70 - H GLU 37 far 0 39 0 - 8.9-10.0 HB2 LEU 70 - H LEU 64 far 0 98 0 - 9.5-10.3 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 3.6-3.7 9441=94, 9481/7037=56...(14) HA ARG 81 - H LEU 64 far 0 100 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 9489 from nnoeabs.peaks (0.70, 7.92, 118.10 ppm; 4.48 A increased from 4.21 A): 1 out of 6 assignments used, quality = 0.84: QG2 VAL 58 + H ASP 65 OK 84 84 100 100 4.3-4.6 9474/7049=67...(13) QG1 VAL 58 - H ASP 65 far 0 93 0 - 4.9-5.1 QD1 ILE 8 - H ASP 65 far 0 99 0 - 6.7-7.0 QD1 ILE 56 - H ASP 65 far 0 100 0 - 7.4-7.7 QG2 VAL 78 - H ASP 65 far 0 92 0 - 8.7-9.2 QD1 LEU 42 - H ASP 65 far 0 98 0 - 9.7-10.3 Violated in 1 structures by 0.00 A. Peak 9490 from nnoeabs.peaks (1.36, 7.92, 118.10 ppm; 4.83 A): 1 out of 4 assignments used, quality = 0.90: QB ALA 67 + H ASP 65 OK 90 90 100 100 4.5-4.7 2.9/7058=73, 2809/3.6=68...(16) HG3 LYS 68 - H ASP 65 far 0 99 0 - 5.8-6.0 HB2 LYS 82 - H ASP 65 far 0 96 0 - 6.5-7.0 HB2 LEU 70 - H ASP 65 far 0 99 0 - 8.7-9.4 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 = 1.00: HG2 LYS 68 + H ASP 65 OK 100 100 100 100 4.3-4.5 10268/3.0=60...(21) HD2 LYS 68 + H ASP 65 OK 55 100 55 100 4.3-6.9 10264/7053=62, ~9502=39...(25) HD3 LYS 68 + H ASP 65 OK 30 100 30 100 4.8-6.9 ~9502=39, ~10267=36...(24) Violated in 0 structures by 0.00 A. Peak 9492 from nnoeabs.peaks (1.88, 7.92, 118.10 ppm; 5.19 A increased from 4.37 A): 1 out of 3 assignments used, quality = 0.89: HB3 LYS 66 + H ASP 65 OK 89 90 100 100 4.7-5.0 4.0/7064=84, 10777=83...(9) HB3 LYS 68 - H ASP 65 far 0 98 0 - 5.8-6.4 HB ILE 8 - H ASP 65 far 0 98 0 - 8.9-9.2 Violated in 0 structures by 0.00 A. Peak 9505 from nnoeabs.peaks (1.33, 7.80, 119.34 ppm; 4.29 A increased from 4.04 A): 1 out of 5 assignments used, quality = 0.99: QB ALA 67 + H LYS 66 OK 99 100 100 99 4.2-4.3 2.9/7077=84...(9) HG3 LYS 68 - H LYS 66 far 0 97 0 - 5.6-5.9 HB2 LEU 70 - H LYS 66 far 0 70 0 - 6.6-7.4 HB2 LYS 82 - H LYS 66 far 0 99 0 - 9.0-9.6 HG12 ILE 8 - H LYS 66 far 0 81 0 - 9.8-10.2 Violated in 2 structures by 0.00 A. Peak 9506 from nnoeabs.peaks (0.82, 7.80, 119.34 ppm; 5.47 A increased from 4.86 A): 1 out of 6 assignments used, quality = 0.99: QD1 LEU 70 + H LYS 66 OK 99 100 100 99 5.1-5.2 9519/7077=72...(14) QD2 LEU 70 - H LYS 66 far 0 97 0 - 6.7-7.3 QD1 LEU 38 - H LYS 66 far 0 59 0 - 7.1-7.8 QG2 ILE 8 - H LYS 66 far 0 68 0 - 7.3-7.6 QD2 LEU 38 - H LYS 66 far 0 100 0 - 7.4-8.1 QG2 VAL 32 - H LYS 66 far 0 99 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 9507 from nnoeabs.peaks (0.72, 7.80, 119.34 ppm; 5.47 A increased from 4.86 A): 1 out of 7 assignments used, quality = 1.00: QG1 VAL 58 + H LYS 66 OK 100 100 100 100 5.3-5.5 9520/7077=86...(8) QD1 LEU 64 - H LYS 66 far 0 96 0 - 6.0-6.3 QD1 ILE 8 - H LYS 66 far 0 96 0 - 6.2-6.5 QD1 ILE 56 - H LYS 66 far 0 94 0 - 6.9-7.3 QD1 LEU 42 - H LYS 66 far 0 63 0 - 8.2-8.9 QG2 VAL 78 - H LYS 66 far 0 100 0 - 8.4-8.8 HG13 ILE 56 - H LYS 66 far 0 99 0 - 10.0-10.2 Violated in 2 structures by 0.00 A. Peak 9518 from nnoeabs.peaks (0.98, 8.48, 121.56 ppm; 5.11 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 80 + H ALA 67 OK 100 100 100 100 3.7-4.0 9732/2.9=98...(17) QG2 VAL 83 - H ALA 67 far 0 95 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 9519 from nnoeabs.peaks (0.84, 8.48, 121.56 ppm; 4.76 A): 1 out of 8 assignments used, quality = 0.88: QD1 LEU 70 + H ALA 67 OK 88 90 100 98 4.0-4.4 9506/7077=48, ~9539=42...(18) QD1 LEU 38 - H ALA 67 far 0 88 0 - 5.1-5.8 QD2 LEU 38 - H ALA 67 far 0 96 0 - 5.5-6.1 QD2 LEU 64 - H ALA 67 far 0 85 0 - 5.8-6.2 QD2 LEU 70 - H ALA 67 far 0 77 0 - 6.2-6.8 QG2 VAL 32 - H ALA 67 far 0 100 0 - 7.8-8.4 QD1 ILE 76 - H ALA 67 far 0 63 0 - 9.4-10.1 QD1 LEU 57 - H ALA 67 far 0 99 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 9520 from nnoeabs.peaks (0.72, 8.48, 121.56 ppm; 4.25 A): 1 out of 9 assignments used, quality = 0.98: QG1 VAL 58 + H ALA 67 OK 98 100 100 98 4.0-4.3 9384/2.9=60...(13) QD1 ILE 8 - H ALA 67 far 0 100 0 - 4.6-5.0 QD1 ILE 56 - H ALA 67 far 0 99 0 - 4.8-5.1 QD1 LEU 64 - H ALA 67 far 0 85 0 - 5.0-5.5 QD1 LEU 42 - H ALA 67 far 0 81 0 - 6.5-7.1 QG2 VAL 78 - H ALA 67 far 0 100 0 - 6.6-6.9 HG13 ILE 56 - H ALA 67 far 0 100 0 - 7.3-7.6 QG1 VAL 78 - H ALA 67 far 0 79 0 - 8.3-9.0 QD2 LEU 6 - H ALA 67 far 0 77 0 - 9.4-9.9 Violated in 1 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 4.5-4.7 ~10783=78, 9734/9518=77...(18) 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 99 100 100 99 4.6-4.8 3095/7120=84...(11) HB2 LEU 64 + H ALA 67 OK 96 96 100 100 5.3-5.6 3.0/7081=84...(14) HG2 GLU 69 + H ALA 67 OK 82 100 85 97 5.4-5.9 3110/7120=79...(11) HB3 GLU 69 - H ALA 67 far 0 100 0 - 6.3-6.5 HB3 GLU 62 - H ALA 67 far 0 59 0 - 7.6-8.0 HB2 GLN 72 - H ALA 67 far 0 65 0 - 9.9-10.3 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 2 assignments used, quality = 0.99: HB2 ASP 65 + H ALA 67 OK 99 99 100 100 5.1-5.4 7066/7077=97...(11) HB3 ASP 61 - H ALA 67 far 0 84 0 - 9.2-9.8 Violated in 0 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 2.5-2.7 9705=70, 9732/2985=69...(20) Violated in 0 structures by 0.00 A. Peak 9530 from nnoeabs.peaks (0.84, 8.19, 116.17 ppm; 5.55 A increased from 4.67 A): 3 out of 7 assignments used, quality = 0.99: QD2 LEU 64 + H LYS 68 OK 93 93 100 100 5.3-5.8 4.0/7099=81...(12) QD1 LEU 70 + H LYS 68 OK 79 81 100 98 5.1-5.6 9519/7103=80...(7) QD1 LEU 38 + H LYS 68 OK 43 95 90 50 5.3-5.9 9526/2985=30...(3) QD2 LEU 38 - H LYS 68 far 0 91 0 - 6.2-6.9 QD2 LEU 70 - H LYS 68 far 0 65 0 - 6.9-7.4 QG2 VAL 32 - H LYS 68 far 0 98 0 - 8.7-9.4 QD1 LEU 57 - H LYS 68 far 0 96 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 9531 from nnoeabs.peaks (0.73, 8.19, 116.17 ppm; 4.41 A increased from 4.15 A): 2 out of 10 assignments used, quality = 0.98: QD1 LEU 64 + H LYS 68 OK 94 99 95 100 4.2-4.9 10762/9529=67...(14) QD1 ILE 56 + H LYS 68 OK 76 87 100 87 3.9-4.3 10682/9529=50...(8) QG2 VAL 78 - H LYS 68 far 0 99 0 - 4.8-5.3 QG1 VAL 58 - H LYS 68 far 0 99 0 - 5.0-5.3 QD1 ILE 8 - H LYS 68 far 0 90 0 - 6.0-6.4 QG1 VAL 78 - H LYS 68 far 0 97 0 - 6.9-7.6 HG13 ILE 56 - H LYS 68 far 0 95 0 - 6.9-7.2 QD2 LEU 42 - H LYS 68 far 0 68 0 - 7.2-7.6 QD1 LEU 6 - H LYS 68 far 0 59 0 - 7.9-8.3 QG1 VAL 54 - H LYS 68 far 0 77 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 9533 from nnoeabs.peaks (2.14, 8.19, 116.17 ppm; 4.76 A increased from 4.23 A): 2 out of 5 assignments used, quality = 0.99: HB2 GLU 69 + H LYS 68 OK 97 98 100 99 4.4-4.6 3103/7115=89...(10) HG2 GLU 69 + H LYS 68 OK 63 98 65 99 4.7-5.5 3110/7115=83...(14) HB2 LEU 64 - H LYS 68 far 0 82 0 - 5.7-6.1 HB3 GLU 69 - H LYS 68 far 0 98 0 - 5.9-6.1 HB2 GLN 72 - H LYS 68 far 0 87 0 - 8.0-8.3 Violated in 0 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 4.6-4.8 9529/7115=90...(18) Violated in 0 structures by 0.00 A. Peak 9535 from nnoeabs.peaks (0.79, 7.90, 119.49 ppm; 5.28 A increased from 4.69 A): 1 out of 9 assignments used, quality = 0.88: QD1 LEU 70 + H GLU 69 OK 88 91 100 97 4.7-5.2 4.6/7137=81...(9) QD2 LEU 70 - H GLU 69 far 0 98 0 - 5.8-6.2 QD2 LEU 38 - H GLU 69 far 0 81 0 - 7.5-8.0 QD2 LEU 42 - H GLU 69 far 0 81 0 - 7.6-8.0 QD1 ILE 76 - H GLU 69 far 0 100 0 - 8.2-9.0 QD1 LEU 6 - H GLU 69 far 0 87 0 - 8.9-9.4 QG1 VAL 54 - H GLU 69 far 0 71 0 - 9.3-9.8 QG2 ILE 8 - H GLU 69 far 0 99 0 - 9.5-9.8 QG2 VAL 32 - H GLU 69 far 0 63 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 9536 from nnoeabs.peaks (0.69, 7.90, 119.49 ppm; 5.62 A): 2 out of 7 assignments used, quality = 0.93: QD1 ILE 56 + H GLU 69 OK 87 96 100 91 5.2-5.6 10682/9534=52...(8) QG2 VAL 78 + H GLU 69 OK 48 79 95 64 5.5-6.1 8182/3.6=30...(5) QD1 LEU 42 - H GLU 69 far 0 100 0 - 6.2-6.7 QG1 VAL 58 - H GLU 69 far 0 81 0 - 6.9-7.1 QD1 ILE 8 - H GLU 69 far 0 95 0 - 7.4-7.7 QG2 VAL 58 - H GLU 69 far 0 95 0 - 7.4-7.9 HG13 ILE 56 - H GLU 69 far 0 90 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 9537 from nnoeabs.peaks (1.50, 7.90, 119.49 ppm; 6.11 A increased from 5.15 A): 3 out of 6 assignments used, quality = 1.00: HG2 LYS 66 + H GLU 69 OK 99 99 100 100 6.0-6.2 3.7/2881=95...(7) HG LEU 64 + H GLU 69 OK 85 92 100 92 5.7-6.3 9501/7118=80...(6) HG2 LYS 73 + H GLU 69 OK 56 99 65 87 6.0-7.2 10819/7137=80, ~9581=17...(4) HG3 LYS 66 - H GLU 69 far 0 100 0 - 7.0-7.2 HB3 LEU 64 - H GLU 69 far 0 99 0 - 7.9-8.3 HG12 ILE 56 - H GLU 69 far 0 75 0 - 8.5-8.9 Violated in 0 structures by 0.00 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 5.0-5.3 3.0/7118=86...(10) HG3 MET 74 - H GLU 69 far 0 70 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 9542 from nnoeabs.peaks (0.70, 7.96, 119.43 ppm; 5.33 A increased from 5.02 A): 2 out of 7 assignments used, quality = 0.99: QD1 LEU 42 + H LEU 70 OK 97 98 100 100 4.7-5.2 9543/3133=87...(6) QD1 ILE 56 + H LEU 70 OK 63 100 80 79 5.2-5.7 8306/7140=50...(5) QG2 VAL 78 - H LEU 70 far 0 92 0 - 5.8-6.2 QD1 ILE 8 - H LEU 70 far 0 99 0 - 7.3-7.8 QG1 VAL 58 - H LEU 70 far 0 93 0 - 7.7-7.9 HG13 ILE 56 - H LEU 70 far 0 98 0 - 8.4-8.9 QG2 VAL 58 - H LEU 70 far 0 84 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 9550 from nnoeabs.peaks (0.72, 8.26, 119.60 ppm; 3.88 A): 4 out of 16 assignments used, quality = 0.99: QG2 VAL 78 + H ALA 71 OK 94 100 95 99 3.9-4.2 10292/7165=39, ~10210=37...(17) QD1 LEU 42 + H ALA 71 OK 75 75 100 99 2.9-3.4 9543/7159=53, 10414=38...(20) QD1 ILE 52 + H PHE 45 OK 26 54 50 94 4.1-4.4 9170/3.0=46, 9147/4.6=30...(13) QD1 ILE 56 + H ALA 71 OK 24 98 90 27 3.9-4.2 9542/7157=12...(6) QG1 VAL 78 - H ALA 71 far 0 84 0 - 4.7-5.4 QD1 LEU 42 - H PHE 45 far 0 46 0 - 6.3-6.6 QG1 VAL 78 - H PHE 45 far 0 53 0 - 6.4-7.0 QD2 LEU 6 - H PHE 45 far 0 43 0 - 6.6-7.1 HG13 ILE 56 - H ALA 71 far 0 100 0 - 6.8-7.1 QD1 ILE 8 - H ALA 71 far 0 99 0 - 7.3-7.6 QG1 VAL 58 - H ALA 71 far 0 100 0 - 7.9-8.1 QD1 LEU 64 - H ALA 71 far 0 90 0 - 7.9-8.8 QD1 ILE 56 - H PHE 45 far 0 67 0 - 8.3-8.7 QG2 VAL 78 - H PHE 45 far 0 71 0 - 8.4-9.3 QD2 LEU 6 - H ALA 71 far 0 71 0 - 9.0-9.4 HG13 ILE 56 - H PHE 45 far 0 70 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 9554 from nnoeabs.peaks (4.00, 7.91, 115.96 ppm; 3.71 A): 1 out of 3 assignments used, quality = 0.96: HA GLU 69 + H GLN 72 OK 96 99 100 97 3.3-3.7 9559/7173=53...(12) HA LEU 70 - H GLN 72 far 0 95 0 - 4.0-4.5 HA GLU 75 - H GLN 72 far 0 100 0 - 6.0-6.5 Violated in 0 structures by 0.00 A. Peak 9555 from nnoeabs.peaks (1.94, 7.91, 115.96 ppm; 5.00 A increased from 4.21 A): 2 out of 4 assignments used, quality = 0.96: HB2 LYS 73 + H GLN 72 OK 93 96 100 97 4.7-5.0 7206/7196=89...(4) HB3 MET 74 + H GLN 72 OK 42 91 50 92 4.7-5.6 4.0/10826=62...(4) HB3 LYS 73 - H GLN 72 far 0 96 0 - 6.1-6.2 HB2 ARG 46 - H GLN 72 far 0 71 0 - 9.3-12.2 Violated in 0 structures by 0.00 A. Peak 9556 from nnoeabs.peaks (1.63, 7.91, 115.96 ppm; 5.26 A increased from 4.67 A): 2 out of 10 assignments used, quality = 0.96: HB ILE 76 + H GLN 72 OK 88 99 90 99 5.2-5.6 10834/7170=86...(8) HG3 LYS 73 + H GLN 72 OK 67 68 100 99 4.5-5.5 4.9/7196=73...(8) HG2 LYS 68 - H GLN 72 far 0 99 0 - 6.2-6.5 HD3 LYS 73 - H GLN 72 far 0 73 0 - 6.5-7.3 HD2 LYS 73 - H GLN 72 far 0 70 0 - 6.6-7.3 HD2 LYS 68 - H GLN 72 far 0 93 0 - 6.7-8.1 HD3 LYS 68 - H GLN 72 far 0 94 0 - 6.8-7.9 HD2 LYS 39 - H GLN 72 far 0 91 0 - 7.9-11.2 HD3 LYS 39 - H GLN 72 far 0 99 0 - 8.8-10.6 HD2 LYS 66 - H GLN 72 far 0 73 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 9557 from nnoeabs.peaks (1.84, 7.91, 115.96 ppm; 5.36 A increased from 4.51 A): 1 out of 6 assignments used, quality = 0.92: HB2 LYS 68 + H GLN 72 OK 92 100 100 93 4.9-5.3 10793/9554=68, ~10791=38...(6) HB3 LYS 68 - H GLN 72 far 0 82 0 - 6.0-6.3 HB2 LEU 42 - H GLN 72 far 0 63 0 - 8.0-8.6 HB3 LYS 39 - H GLN 72 far 0 94 0 - 8.2-10.8 HG2 ARG 46 - H GLN 72 far 0 93 0 - 9.0-12.0 HB3 LYS 66 - H GLN 72 far 0 95 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 9558 from nnoeabs.peaks (0.72, 7.91, 115.96 ppm; 4.54 A increased from 4.27 A): 2 out of 8 assignments used, quality = 0.98: QG2 VAL 78 + H GLN 72 OK 97 100 100 97 4.1-4.6 8386/3.0=59...(8) QD1 LEU 42 + H GLN 72 OK 39 79 55 90 4.6-5.0 12014/7170=43...(6) QG1 VAL 78 - H GLN 72 far 0 81 0 - 5.0-5.8 QD1 ILE 56 - H GLN 72 far 0 99 0 - 5.4-5.7 QD1 LEU 64 - H GLN 72 far 0 87 0 - 8.4-9.3 HG13 ILE 56 - H GLN 72 far 0 100 0 - 8.7-9.1 QD1 ILE 8 - H GLN 72 far 0 99 0 - 9.3-9.6 QG1 VAL 58 - H GLN 72 far 0 100 0 - 9.4-9.6 Violated in 0 structures by 0.00 A. Peak 9570 from nnoeabs.peaks (4.00, 6.85, 111.53 ppm; 5.34 A): 1 out of 3 assignments used, quality = 1.00: HA GLU 69 + HE21 GLN 72 OK 100 100 100 100 3.3-5.2 9571/1.7=90, 9559/4.4=73...(10) HA LEU 70 - HE21 GLN 72 far 0 94 0 - 8.0-9.6 HA GLU 75 - HE21 GLN 72 far 0 100 0 - 8.2-9.8 Violated in 0 structures by 0.00 A. Peak 9571 from nnoeabs.peaks (4.00, 7.44, 111.53 ppm; 4.92 A): 1 out of 3 assignments used, quality = 0.99: HA GLU 69 + HE22 GLN 72 OK 99 100 100 100 1.9-4.6 9570/1.7=70, 10803=67...(12) HA LEU 70 - HE22 GLN 72 far 0 94 0 - 6.3-8.6 HA GLU 75 - HE22 GLN 72 far 0 100 0 - 7.8-8.9 Violated in 0 structures by 0.00 A. Peak 9572 from nnoeabs.peaks (2.92, 7.44, 111.53 ppm; 6.46 A increased from 5.75 A): 2 out of 6 assignments used, quality = 1.00: HE2 LYS 68 + HE22 GLN 72 OK 96 100 100 96 2.5-6.7 9573/1.7=39, ~9573=36...(11) HE3 LYS 68 + HE22 GLN 72 OK 91 99 95 97 2.5-7.1 9573/1.7=42, ~9573=34...(12) HE3 LYS 73 - HE22 GLN 72 far 4 79 5 - 5.5-11.9 HE2 LYS 73 - HE22 GLN 72 far 0 70 0 - 7.0-11.2 HE3 LYS 66 - HE22 GLN 72 far 0 96 0 - 7.8-13.1 HE2 LYS 66 - HE22 GLN 72 far 0 90 0 - 8.0-12.3 Violated in 0 structures by 0.00 A. Peak 9573 from nnoeabs.peaks (2.90, 6.85, 111.53 ppm; 6.50 A increased from 6.01 A): 2 out of 4 assignments used, quality = 0.89: HE3 LYS 68 + HE21 GLN 72 OK 69 100 75 92 3.5-7.8 9572/1.7=40, ~9572=36...(9) HE2 LYS 68 + HE21 GLN 72 OK 64 100 70 92 3.6-7.4 9572/1.7=42, ~9572=34...(9) HE3 LYS 66 - HE21 GLN 72 far 0 100 0 - 8.0-13.8 HE2 LYS 66 - HE21 GLN 72 far 0 99 0 - 8.5-13.2 Violated in 0 structures by 0.00 A. Peak 9574 from nnoeabs.peaks (1.65, 6.85, 111.53 ppm; 6.47 A increased from 5.45 A): 3 out of 6 assignments used, quality = 1.00: HD3 LYS 68 + HE21 GLN 72 OK 94 100 95 100 2.4-6.9 ~9563=49, ~12167=39...(16) HG2 LYS 68 + HE21 GLN 72 OK 85 100 85 100 4.4-7.0 10794/9570=61, ~9563=55...(17) HD2 LYS 68 + HE21 GLN 72 OK 84 100 85 100 4.0-7.1 ~9563=49, ~12167=39...(17) HD3 LYS 73 - HE21 GLN 72 far 0 92 0 - 8.6-11.5 HD2 LYS 73 - HE21 GLN 72 far 0 90 0 - 8.7-12.0 HB ILE 76 - HE21 GLN 72 far 0 100 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 9575 from nnoeabs.peaks (1.65, 7.44, 111.53 ppm; 5.79 A increased from 5.15 A): 3 out of 7 assignments used, quality = 1.00: HG2 LYS 68 + HE22 GLN 72 OK 99 99 100 99 4.3-5.8 10794/9571=60, ~9563=44...(16) HD3 LYS 68 + HE22 GLN 72 OK 98 100 100 98 3.2-5.9 ~9563=39, 3.5/12304=33...(15) HD2 LYS 68 + HE22 GLN 72 OK 94 100 95 98 3.3-6.1 ~9563=39, 3.5/12304=33...(16) HD2 LYS 73 - HE22 GLN 72 far 0 96 0 - 7.5-11.3 HD3 LYS 73 - HE22 GLN 72 far 0 97 0 - 7.7-11.1 HB ILE 76 - HE22 GLN 72 far 0 100 0 - 8.0-9.4 HB3 ARG 79 - HE22 GLN 72 far 0 100 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 9576 from nnoeabs.peaks (1.36, 7.84, 119.03 ppm; 6.05 A increased from 5.38 A): 1 out of 4 assignments used, quality = 0.99: HB2 LEU 70 + H LYS 73 OK 99 99 100 100 5.3-5.8 3.0/10810=91...(8) HG3 LYS 68 - H LYS 73 far 0 99 0 - 6.5-7.3 HG2 LYS 39 - H LYS 73 far 0 96 0 - 6.9-8.9 QB ALA 67 - H LYS 73 far 0 88 0 - 8.0-8.4 Violated in 0 structures by 0.00 A. Peak 9577 from nnoeabs.peaks (0.80, 7.84, 119.03 ppm; 5.59 A increased from 4.70 A): 2 out of 6 assignments used, quality = 1.00: QD2 LEU 70 + H LYS 73 OK 100 100 100 100 5.1-5.6 3130/10810=84...(8) QD1 ILE 76 + H LYS 73 OK 47 100 50 95 5.7-6.3 9592/7213=81...(5) QD1 LEU 70 - H LYS 73 far 0 99 0 - 6.3-6.7 QD2 LEU 42 - H LYS 73 far 0 61 0 - 6.5-7.2 QD2 LEU 38 - H LYS 73 far 0 94 0 - 9.7-10.3 QD1 LEU 6 - H LYS 73 far 0 70 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 9578 from nnoeabs.peaks (4.02, 7.84, 119.03 ppm; 3.83 A): 2 out of 3 assignments used, quality = 0.99: HA LEU 70 + H LYS 73 OK 99 100 100 99 3.3-3.7 10810=67, 10813/7207=37...(15) HA GLU 69 + H LYS 73 OK 32 88 40 91 3.7-4.4 9554/7196=53...(7) HA GLU 75 - H LYS 73 far 0 95 0 - 5.6-6.0 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 4.2-4.8 3.6/7196=82...(10) HA ALA 67 - H LYS 73 far 0 100 0 - 7.8-8.4 Violated in 4 structures by 0.01 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 3.7-4.0 9643=91, 7247/7231=71...(14) Violated in 0 structures by 0.00 A. Peak 9590 from nnoeabs.peaks (1.43, 7.75, 115.79 ppm; 4.68 A): 1 out of 4 assignments used, quality = 0.96: QB ALA 71 + H MET 74 OK 96 96 100 100 4.5-4.7 2.1/10858=82...(13) HG13 ILE 76 - H MET 74 far 0 99 0 - 5.1-5.7 HG3 LYS 39 - H MET 74 far 0 96 0 - 6.6-9.2 HB2 LEU 38 - H MET 74 far 0 77 0 - 9.6-11.6 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 3.5-3.9 2.1/9592=91...(13) Violated in 0 structures by 0.00 A. Peak 9592 from nnoeabs.peaks (0.81, 7.75, 115.79 ppm; 4.77 A): 1 out of 5 assignments used, quality = 0.99: QD1 ILE 76 + H MET 74 OK 99 99 100 100 4.0-4.4 9604/3366=62...(14) QD2 LEU 70 - H MET 74 far 0 100 0 - 5.5-6.2 QD1 LEU 70 - H MET 74 far 0 100 0 - 6.8-7.5 QG2 ILE 52 - H MET 74 far 0 73 0 - 8.9-9.9 QD2 LEU 38 - H MET 74 far 0 98 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 9593 from nnoeabs.peaks (0.71, 7.75, 115.79 ppm; 5.03 A): 1 out of 4 assignments used, quality = 0.92: QD1 LEU 42 + H MET 74 OK 92 93 100 99 4.5-5.1 9615/7228=67...(11) QG1 VAL 78 - H MET 74 far 0 61 0 - 6.1-6.6 QG2 VAL 78 - H MET 74 far 0 97 0 - 6.4-6.6 QD1 ILE 56 - H MET 74 far 0 100 0 - 7.4-7.7 Violated in 2 structures by 0.00 A. Peak 9618 from nnoeabs.peaks (4.16, 8.08, 116.25 ppm; 4.49 A): 2 out of 2 assignments used, quality = 1.00: HA GLN 72 + H GLU 75 OK 98 100 100 98 3.1-4.0 10833/2.9=71...(7) HA LYS 73 + H GLU 75 OK 96 99 100 97 3.5-3.9 3.6/7231=71...(8) Violated in 0 structures by 0.00 A. Peak 9643 from nnoeabs.peaks (7.75, 7.56, 115.96 ppm; 4.66 A): 1 out of 3 assignments used, quality = 1.00: H MET 74 + H ILE 76 OK 100 100 100 100 3.7-4.0 9583=97, 7231/7247=76...(14) H VAL 78 - H ILE 76 far 0 100 0 - 5.1-5.5 H SER 49 - H ILE 76 far 0 87 0 - 8.9-10.0 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 = 0.99: HB3 MET 74 + H ILE 76 OK 99 100 100 99 3.6-4.3 1.8/9645=62, 4.3/7247=60...(10) QE MET 74 - H ILE 76 far 0 65 0 - 5.6-6.4 HB2 ARG 46 - H ILE 76 far 0 99 0 - 6.1-8.6 HB2 LYS 73 - H ILE 76 far 0 99 0 - 6.5-7.5 HB3 LYS 73 - H ILE 76 far 0 99 0 - 7.4-7.8 HB3 ARG 46 - H ILE 76 far 0 100 0 - 7.8-8.6 Violated in 0 structures by 0.00 A. Peak 9645 from nnoeabs.peaks (2.06, 7.56, 115.96 ppm; 5.07 A increased from 4.51 A): 1 out of 1 assignment used, quality = 1.00: HB2 MET 74 + H ILE 76 OK 100 100 100 100 4.4-4.8 1.8/9644=93, 4.3/7247=74...(10) Violated in 0 structures by 0.00 A. Peak 9647 from nnoeabs.peaks (0.72, 7.56, 115.96 ppm; 4.80 A increased from 4.52 A): 2 out of 5 assignments used, quality = 0.88: QG1 VAL 78 + H ILE 76 OK 68 81 100 85 4.2-4.8 10906/4.0=59...(5) QG2 VAL 78 + H ILE 76 OK 61 100 65 93 4.9-5.3 10197/7254=70...(5) QD1 LEU 42 - H ILE 76 far 0 79 0 - 5.4-5.9 QD1 ILE 56 - H ILE 76 far 0 99 0 - 7.0-7.4 QD1 ILE 52 - H ILE 76 far 0 88 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 9649 from nnoeabs.peaks (3.83, 7.56, 115.96 ppm; 4.55 A): 1 out of 4 assignments used, quality = 0.98: HA ALA 71 + H ILE 76 OK 98 99 100 100 4.0-4.6 10836/7254=61, 10829=60...(13) HB3 SER 49 - H ILE 76 far 0 91 0 - 6.8-8.5 HA LYS 68 - H ILE 76 far 0 77 0 - 7.5-7.9 HA ALA 67 - H ILE 76 far 0 94 0 - 10.0-10.5 Violated in 1 structures by 0.00 A. Peak 9650 from nnoeabs.peaks (4.15, 7.56, 115.96 ppm; 4.68 A): 1 out of 2 assignments used, quality = 0.97: HA GLN 72 + H ILE 76 OK 97 100 100 97 3.0-3.4 10833/7248=70, 491=39...(9) HA LYS 73 - H ILE 76 far 0 88 0 - 5.9-6.3 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 4.4-5.5 9678/7270=71...(6) Violated in 0 structures by 0.00 A. Peak 9683 from nnoeabs.peaks (1.42, 7.75, 122.84 ppm; 4.36 A): 1 out of 4 assignments used, quality = 0.97: QB ALA 71 + H VAL 78 OK 97 98 100 99 3.5-4.1 10210/4.0=62...(9) HG13 ILE 76 - H VAL 78 far 0 97 0 - 6.8-7.2 HD2 LYS 53 - H VAL 78 far 0 63 0 - 7.8-9.7 HG13 ILE 52 - H VAL 78 far 0 68 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 9684 from nnoeabs.peaks (1.90, 7.75, 122.84 ppm; 5.38 A): 1 out of 4 assignments used, quality = 0.97: HB VAL 54 + H VAL 78 OK 97 97 100 100 5.0-5.5 10348/3.0=93...(8) HB3 LYS 68 - H VAL 78 far 0 81 0 - 7.1-7.7 HB3 GLU 104 - H VAL 78 far 0 79 0 - 8.4-23.5 HG LEU 42 - H VAL 78 far 0 100 0 - 8.5-8.9 Violated in 3 structures by 0.01 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 3.1-4.4 9279=77, 2538/11117=70...(13) HG2 ARG 81 - H ARG 79 far 0 100 0 - 5.7-9.5 QD1 LEU 3 - H ARG 79 far 0 77 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 9697 from nnoeabs.peaks (9.19, 8.50, 125.64 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: H ILE 56 + H ARG 79 OK 100 100 100 100 3.3-3.7 9297=90, 6915/11117=71...(14) Violated in 0 structures by 0.00 A. Peak 9715 from nnoeabs.peaks (0.74, 8.42, 118.08 ppm; 3.95 A): 1 out of 13 assignments used, quality = 0.68: QG2 VAL 78 + H THR 80 OK 68 88 95 81 3.0-4.6 4.3/7297=39, 8179/2.9=31...(8) QD1 LEU 64 - H THR 80 far 0 100 0 - 4.3-4.6 QD1 ILE 56 - H THR 80 far 0 63 0 - 4.4-5.3 HG3 ARG 81 - H THR 80 far 0 100 0 - 5.3-8.0 QG1 VAL 78 - H THR 80 far 0 100 0 - 5.6-7.0 HG13 ILE 56 - H THR 80 far 0 77 0 - 6.7-7.6 QG1 VAL 54 - H THR 80 far 0 95 0 - 6.7-7.5 QG1 VAL 58 - H THR 80 far 0 87 0 - 6.8-7.2 QD2 LEU 42 - H THR 80 far 0 90 0 - 7.4-8.6 QD1 LEU 6 - H THR 80 far 0 84 0 - 8.0-9.0 QG1 VAL 5 - H THR 80 far 0 94 0 - 8.2-8.7 QD1 ILE 8 - H THR 80 far 0 68 0 - 8.4-8.8 QG2 ILE 52 - H THR 80 far 0 70 0 - 9.9-10.9 Violated in 2 structures by 0.04 A. Peak 9716 from nnoeabs.peaks (0.42, 8.42, 118.08 ppm; 5.20 A increased from 4.62 A): 2 out of 2 assignments used, quality = 0.99: QD1 LEU 55 + H THR 80 OK 96 96 100 100 4.4-4.9 9258/2.9=76...(12) HG2 ARG 81 + H THR 80 OK 66 100 70 94 3.6-8.0 10924/2.9=47...(10) 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 3.8-4.5 2.1/10921=84...(12) QD1 ILE 7 - H ARG 81 far 0 98 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 9736 from nnoeabs.peaks (0.83, 8.76, 122.84 ppm; 3.77 A): 2 out of 9 assignments used, quality = 0.72: QD2 LEU 57 + H ARG 81 OK 64 65 100 97 2.4-3.9 4.0/11122=45...(12) QD1 LEU 57 + H ARG 81 OK 25 100 25 98 3.3-4.3 2642/11122=57, 9338=49...(15) QD2 LEU 64 - H ARG 81 far 0 75 0 - 5.0-5.7 QD2 LEU 38 - H ARG 81 far 0 99 0 - 7.2-7.6 QD1 LEU 38 - H ARG 81 far 0 79 0 - 7.7-8.3 QD1 LEU 103 - H ARG 81 far 0 71 0 - 8.5-21.4 QG2 VAL 32 - H ARG 81 far 0 100 0 - 9.0-9.5 QG2 ILE 7 - H ARG 81 far 0 71 0 - 9.2-9.5 QD1 LEU 70 - H ARG 81 far 0 96 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 9737 from nnoeabs.peaks (1.20, 8.76, 122.84 ppm; 5.93 A increased from 5.58 A): 1 out of 3 assignments used, quality = 1.00: HB2 LEU 57 + H ARG 81 OK 100 100 100 100 5.4-5.7 2.9/11122=99...(10) HB2 LEU 6 - H ARG 81 far 0 92 0 - 7.4-8.0 QB ALA 18 - H ARG 81 far 0 81 0 - 9.2-9.7 Violated in 0 structures by 0.00 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 4.8-5.2 9732/7313=96...(12) HB2 LYS 82 + H ARG 81 OK 30 100 30 100 5.5-5.9 7332/4.7=76, 3.0/9740=74...(8) HG12 ILE 8 - H ARG 81 far 0 94 0 - 7.7-8.6 QB ALA 89 - H ARG 81 far 0 100 0 - 8.0-8.3 HG3 LYS 68 - H ARG 81 far 0 100 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 9739 from nnoeabs.peaks (1.52, 8.76, 122.84 ppm; 5.65 A increased from 5.02 A): 4 out of 7 assignments used, quality = 0.99: HG LEU 57 + H ARG 81 OK 82 87 95 100 5.4-6.1 4.3/11122=84...(9) HG12 ILE 56 + H ARG 81 OK 75 100 75 100 5.7-6.1 2.9/10921=93...(6) HB3 LEU 64 + H ARG 81 OK 67 68 100 100 5.0-5.8 3.1/7318=96, ~9483=56...(13) HG3 ARG 79 + H ARG 81 OK 35 99 40 88 5.2-7.3 7301/4.6=73...(6) HG2 ARG 79 - H ARG 81 far 5 99 5 - 5.8-7.5 HB ILE 7 - H ARG 81 far 0 100 0 - 9.3-9.7 HG LEU 6 - H ARG 81 far 0 100 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 9740 from nnoeabs.peaks (4.71, 8.76, 122.84 ppm; 4.99 A): 1 out of 3 assignments used, quality = 0.99: HA LYS 82 + H ARG 81 OK 99 99 100 100 4.6-4.8 9372/10926=68...(16) HA LEU 55 - H ARG 81 far 3 59 5 - 5.2-5.9 HA ARG 79 - H ARG 81 far 0 100 0 - 5.7-6.3 Violated in 0 structures by 0.00 A. Peak 9753 from nnoeabs.peaks (9.20, 8.76, 122.84 ppm; 4.76 A increased from 4.48 A): 1 out of 2 assignments used, quality = 0.99: H ILE 56 + H ARG 81 OK 99 99 100 100 4.2-4.5 9298=99, 9299/7311=83...(12) H THR 84 - H ARG 81 far 0 100 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 9754 from nnoeabs.peaks (2.88, 8.72, 124.67 ppm; 5.31 A increased from 4.99 A): 1 out of 4 assignments used, quality = 0.91: HE3 LYS 82 + H LYS 82 OK 91 91 100 100 4.4-5.3 3668/7333=78...(12) HE3 LYS 68 - H LYS 82 far 0 73 0 - 6.9-10.6 HE2 LYS 68 - H LYS 82 far 0 70 0 - 7.3-10.7 HB2 ASN 60 - H LYS 82 far 0 96 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 9755 from nnoeabs.peaks (0.68, 8.72, 124.67 ppm; 4.36 A): 1 out of 7 assignments used, quality = 1.00: QG2 VAL 58 + H LYS 82 OK 100 100 100 100 4.0-4.4 10228/3.0=78, 10711=72...(17) QG1 VAL 58 - H LYS 82 far 0 59 0 - 5.7-6.3 QD1 ILE 8 - H LYS 82 far 0 81 0 - 8.5-9.0 QD1 ILE 56 - H LYS 82 far 0 84 0 - 8.6-8.9 QD1 LEU 14 - H LYS 82 far 0 100 0 - 8.8-9.2 QG2 VAL 78 - H LYS 82 far 0 57 0 - 9.1-9.8 QD2 LEU 14 - H LYS 82 far 0 82 0 - 9.2-9.7 Violated in 3 structures by 0.00 A. Peak 9770 from nnoeabs.peaks (8.53, 8.72, 124.67 ppm; 5.14 A): 1 out of 1 assignment used, quality = 0.96: H VAL 58 + H LYS 82 OK 96 96 100 100 4.8-5.0 9372/3.0=86...(12) 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 3.3-3.8 9395=98, 9372/7343=63...(13) H ASP 61 - H VAL 83 far 0 73 0 - 7.8-8.8 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 2.6-3.2 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 4.4-5.1 6945/9771=87, 9335=69...(9) 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 4.7-5.4 3.6/10721=91, 9436=90...(11) H SER 85 + H VAL 83 OK 61 63 100 97 5.2-5.3 4.6/7358=71...(4) H LEU 64 - H VAL 83 far 0 99 0 - 7.6-7.9 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 3 assignments used, quality = 0.95: QD1 LEU 57 + H VAL 83 OK 95 96 100 99 3.4-4.0 2648/9771=70...(8) QD2 LEU 64 - H VAL 83 far 0 93 0 - 6.1-6.6 QD2 LEU 38 - H VAL 83 far 0 91 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 9802 from nnoeabs.peaks (0.77, 9.11, 122.38 ppm; 5.69 A increased from 4.79 A): 2 out of 9 assignments used, quality = 0.96: QD1 LEU 64 + H VAL 83 OK 87 87 100 100 5.2-5.5 9761/7346=77...(9) QD2 LEU 57 + H VAL 83 OK 72 77 95 98 5.0-6.2 2.1/9801=90, 4.0/9773=67 HG3 ARG 81 - H VAL 83 lone 5 84 30 19 3.8-8.2 7328/4.5=13, 3612/4.0=4, ~3739=2 QG2 ILE 8 - H VAL 83 far 0 91 0 - 6.8-7.8 QG1 VAL 5 - H VAL 83 far 0 59 0 - 8.4-9.3 QG2 ILE 7 - H VAL 83 far 0 71 0 - 8.5-9.1 QD1 ILE 93 - H VAL 83 far 0 100 0 - 8.6-9.8 HG13 ILE 93 - H VAL 83 far 0 90 0 - 9.9-10.7 QD1 ILE 15 - H VAL 83 far 0 100 0 - 9.9-10.9 Violated in 0 structures by 0.00 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 3.1-3.5 10710=70, 10228/7343=59...(15) QG1 VAL 58 - H VAL 83 far 0 71 0 - 5.1-5.4 QD1 LEU 14 - H VAL 83 far 0 99 0 - 5.2-5.6 QD2 LEU 14 - H VAL 83 far 0 91 0 - 5.8-6.1 QD1 ILE 8 - H VAL 83 far 0 90 0 - 7.3-7.7 QG1 VAL 5 - H VAL 83 far 0 59 0 - 8.4-9.3 QD1 ILE 56 - H VAL 83 far 0 92 0 - 9.4-9.8 QD1 LEU 29 - H VAL 83 far 0 70 0 - 9.8-10.8 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 4.7-4.9 10402/4.0=76...(10) QD2 LEU 14 - H THR 84 far 0 91 0 - 6.5-6.8 QG2 VAL 58 - H THR 84 far 0 98 0 - 6.8-7.1 QG1 VAL 58 - H THR 84 far 0 71 0 - 8.7-8.9 Violated in 4 structures by 0.00 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 3.9-4.3 9920=72, 9822/7360=67...(11) HB3 LYS 82 - H THR 84 far 0 61 0 - 5.8-6.2 HB3 LEU 57 - H THR 84 far 0 90 0 - 9.1-9.3 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 2.7-3.8 1.8/9921=81, 3.0/9831=79...(9) Violated in 0 structures by 0.00 A. Peak 9833 from nnoeabs.peaks (3.91, 9.20, 113.18 ppm; 5.57 A): 1 out of 3 assignments used, quality = 1.00: HB2 SER 85 + H THR 84 OK 100 100 100 100 3.7-4.5 4.0/7366=92, 3.0/9834=73...(8) HA ALA 89 - H THR 84 far 0 100 0 - 7.4-7.8 HB3 SER 9 - H THR 84 far 0 94 0 - 8.7-10.5 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 4.9-5.1 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 2 assignments used, quality = 0.87: H ALA 89 + H SER 85 OK 87 87 100 100 4.4-4.7 10303=82, 4.3/10297=80...(13) H ARG 91 - H SER 85 far 0 91 0 - 8.5-8.9 Violated in 0 structures by 0.00 A. Peak 9859 from nnoeabs.peaks (2.10, 7.69, 115.56 ppm; 3.77 A): 2 out of 5 assignments used, quality = 0.99: HB VAL 83 + H SER 85 OK 99 99 100 100 2.5-2.8 9774=71, 2.1/9779=60...(13) HG2 GLU 88 + H SER 85 OK 21 63 35 94 3.8-5.4 3.0/10297=47...(10) HB3 GLU 88 - H SER 85 far 0 82 0 - 4.6-5.3 HB2 PRO 86 - H SER 85 far 0 96 0 - 6.3-6.5 HB3 PRO 86 - H SER 85 far 0 100 0 - 6.9-7.0 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 = 0.89: HG3 GLU 88 + H SER 85 OK 89 90 100 100 3.1-3.8 1.8/10301=84...(10) HB2 GLU 17 - H SER 85 far 0 87 0 - 8.6-9.8 Violated in 0 structures by 0.00 A. Peak 9861 from nnoeabs.peaks (1.83, 7.69, 115.56 ppm; 4.87 A): 1 out of 3 assignments used, quality = 0.88: HB2 GLU 88 + H SER 85 OK 88 88 100 100 3.2-3.7 10297=83, 3.0/10301=64...(11) HB3 LEU 57 - H SER 85 far 0 99 0 - 8.3-8.7 HB2 LYS 90 - H SER 85 far 0 92 0 - 9.0-9.4 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 4.7-5.0 9938=94, 9818/9779=91...(8) HG LEU 14 + H SER 85 OK 98 99 100 100 5.0-5.7 2.1/10413=98, ~8424=69...(10) HB2 LYS 82 - H SER 85 far 0 100 0 - 9.0-9.3 Violated in 0 structures by 0.00 A. Peak 9863 from nnoeabs.peaks (0.98, 7.69, 115.56 ppm; 4.12 A): 2 out of 2 assignments used, quality = 0.99: QG2 VAL 83 + H SER 85 OK 94 94 100 100 3.0-3.7 9779=90, 2.1/9774=69...(15) QG1 VAL 83 + H SER 85 OK 79 79 100 100 4.0-4.3 2.1/9779=71, 2.1/9774=69...(13) 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 5 assignments used, quality = 0.99: QD1 LEU 14 + H SER 85 OK 99 99 100 100 2.6-3.1 10413=97, 9867/3.0=71...(17) QD2 LEU 14 + H SER 85 OK 50 91 55 100 4.6-5.2 2.1/10413=82...(11) QG2 VAL 58 - H SER 85 far 0 98 0 - 7.5-7.8 QG1 VAL 58 - H SER 85 far 0 71 0 - 8.9-9.2 QG1 VAL 5 - H SER 85 far 0 59 0 - 9.8-10.4 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 4.4-4.7 7397/7386=81...(15) H ARG 91 - H ASP 87 far 0 71 0 - 6.1-6.5 Violated in 0 structures by 0.00 A. Peak 9898 from nnoeabs.peaks (5.13, 8.13, 115.38 ppm; 4.65 A): 1 out of 1 assignment used, quality = 0.99: HA SER 85 + H ASP 87 OK 99 99 100 100 4.2-4.4 10954=73, 3.0/9849=72...(12) Violated in 0 structures by 0.00 A. Peak 9899 from nnoeabs.peaks (1.34, 8.13, 115.38 ppm; 5.70 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 89 + H ASP 87 OK 100 100 100 100 4.9-5.2 10971/3.5=94...(11) HG LEU 14 - H ASP 87 far 10 99 10 - 5.9-6.5 Violated in 0 structures by 0.00 A. Peak 9900 from nnoeabs.peaks (0.69, 8.13, 115.38 ppm; 5.54 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 14 + H ASP 87 OK 99 99 100 100 4.6-4.9 8411/3.5=91...(14) QD2 LEU 14 - H ASP 87 far 0 91 0 - 6.8-7.2 Violated in 0 structures by 0.00 A. Peak 9901 from nnoeabs.peaks (1.81, 8.13, 115.38 ppm; 5.30 A increased from 4.99 A): 2 out of 3 assignments used, quality = 1.00: HB2 GLU 88 + H ASP 87 OK 100 100 100 100 4.8-5.2 7393/7386=90...(6) HB2 LYS 90 + H ASP 87 OK 30 100 30 100 5.4-5.9 9908/2.9=95...(7) HB3 LYS 90 - H ASP 87 far 0 92 0 - 7.0-7.4 Violated in 0 structures by 0.00 A. Peak 9902 from nnoeabs.peaks (1.95, 8.13, 115.38 ppm; 5.86 A): 2 out of 4 assignments used, quality = 1.00: HG3 GLU 88 + H ASP 87 OK 100 100 100 100 4.2-6.0 3893/7386=87...(5) HB2 GLU 17 + H ASP 87 OK 77 100 100 77 5.4-6.1 9894/3.5=54, 3.0/4434=26...(5) HB3 LYS 13 - H ASP 87 far 0 71 0 - 7.5-8.4 HB2 LYS 13 - H ASP 87 far 0 75 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 9903 from nnoeabs.peaks (3.68, 8.13, 115.38 ppm; 5.42 A increased from 5.10 A): 1 out of 3 assignments used, quality = 0.85: HA GLU 88 + H ASP 87 OK 85 85 100 100 5.3-5.4 3.0/7386=97, 9904/2.9=75...(7) HA LEU 14 - H ASP 87 far 0 100 0 - 5.8-6.2 HA LYS 90 - H ASP 87 far 0 96 0 - 7.5-7.7 Violated in 0 structures by 0.00 A. Peak 9912 from nnoeabs.peaks (0.99, 7.57, 119.96 ppm; 4.59 A): 1 out of 2 assignments used, quality = 0.91: QG1 VAL 83 + H GLU 88 OK 91 91 100 100 4.3-4.7 9813/7393=65...(14) QG2 VAL 83 - H GLU 88 far 0 81 0 - 5.1-5.5 Violated in 1 structures by 0.01 A. Peak 9919 from nnoeabs.peaks (9.20, 7.57, 120.01 ppm; 6.05 A increased from 5.38 A): 1 out of 1 assignment used, quality = 1.00: H THR 84 + H GLU 88 OK 100 100 100 100 5.5-5.8 9831/7393=88...(8) Violated in 0 structures by 0.00 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 3.3-3.5 10971/7407=68, 9854=62...(12) Violated in 0 structures by 0.00 A. Peak 9924 from nnoeabs.peaks (4.23, 7.42, 118.87 ppm; 4.95 A increased from 4.66 A): 1 out of 1 assignment used, quality = 1.00: HA ASP 87 + H ALA 89 OK 100 100 100 100 4.6-5.0 3.6/7397=88...(10) Violated in 1 structures by 0.00 A. Peak 9925 from nnoeabs.peaks (0.70, 7.42, 118.87 ppm; 4.39 A increased from 4.13 A): 1 out of 5 assignments used, quality = 0.93: QD1 LEU 14 + H ALA 89 OK 93 93 100 100 3.6-4.2 8402=86, 10402/9780=57...(14) QD2 LEU 14 - H ALA 89 far 0 98 0 - 5.2-5.9 QG1 VAL 5 - H ALA 89 far 0 77 0 - 7.2-8.0 QG2 VAL 58 - H ALA 89 far 0 91 0 - 8.9-9.2 QG1 VAL 58 - H ALA 89 far 0 87 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 9926 from nnoeabs.peaks (0.82, 7.42, 118.87 ppm; 4.59 A): 1 out of 4 assignments used, quality = 0.98: QD1 LEU 57 + H ALA 89 OK 98 99 100 100 3.7-4.7 9341=76, 9541/3.0=74...(15) QD2 LEU 57 - H ALA 89 far 0 91 0 - 6.3-6.7 QG2 ILE 7 - H ALA 89 far 0 94 0 - 8.1-8.5 QG2 ILE 15 - H ALA 89 far 0 100 0 - 9.0-9.7 Violated in 1 structures by 0.01 A. Peak 9927 from nnoeabs.peaks (1.00, 7.42, 118.87 ppm; 3.58 A): 2 out of 4 assignments used, quality = 0.99: QG1 VAL 83 + H ALA 89 OK 97 97 100 100 3.1-3.4 9794=66, 2.1/9780=57...(26) QG2 VAL 83 + H ALA 89 OK 64 71 90 100 3.6-3.9 2.1/9794=56, 9780=45...(24) HG LEU 55 - H ALA 89 far 0 73 0 - 8.7-9.3 HB3 LEU 55 - H ALA 89 far 0 75 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 9934 from nnoeabs.peaks (6.87, 7.42, 118.87 ppm; 5.31 A): 1 out of 1 assignment used, quality = 1.00: HD1 TRP 92 + H ALA 89 OK 100 100 100 100 3.4-3.8 9935/3.0=85...(13) Violated in 0 structures by 0.00 A. Peak 9941 from nnoeabs.peaks (0.98, 8.05, 114.83 ppm; 5.77 A increased from 5.43 A): 2 out of 4 assignments used, quality = 0.99: QG2 VAL 83 + H LYS 90 OK 98 98 100 100 5.7-6.0 9818/7415=95...(5) QG1 VAL 83 + H LYS 90 OK 67 68 100 99 5.2-5.6 9912/7398=59...(7) QG2 VAL 5 - H LYS 90 far 0 79 0 - 8.0-8.8 HG LEU 55 - H LYS 90 far 0 99 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 9942 from nnoeabs.peaks (0.77, 8.05, 114.83 ppm; 4.69 A): 1 out of 9 assignments used, quality = 1.00: QD1 ILE 93 + H LYS 90 OK 100 100 100 100 3.2-4.3 9932/7415=89...(17) HG13 ILE 93 - H LYS 90 far 12 81 15 - 4.9-5.9 QG2 ILE 93 - H LYS 90 far 0 91 0 - 6.2-6.5 QD2 LEU 57 - H LYS 90 far 0 87 0 - 6.9-7.6 QG2 ILE 7 - H LYS 90 far 0 82 0 - 8.3-8.8 QG2 ILE 15 - H LYS 90 far 0 61 0 - 8.6-9.3 HG3 ARG 81 - H LYS 90 far 0 73 0 - 9.0-11.0 QD1 LEU 27 - H LYS 90 far 0 100 0 - 9.4-9.9 HG13 ILE 15 - H LYS 90 far 0 95 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 9943 from nnoeabs.peaks (0.70, 8.05, 114.83 ppm; 5.93 A increased from 5.27 A): 1 out of 3 assignments used, quality = 0.93: QD1 LEU 14 + H LYS 90 OK 93 93 100 100 5.3-5.9 9925/7408=91...(7) QD2 LEU 14 - H LYS 90 far 0 98 0 - 6.3-7.2 QG1 VAL 5 - H LYS 90 far 0 77 0 - 6.9-7.6 Violated in 2 structures by 0.00 A. Peak 9944 from nnoeabs.peaks (2.09, 8.05, 114.83 ppm; 5.18 A increased from 4.36 A): 1 out of 6 assignments used, quality = 0.98: HB3 PRO 86 + H LYS 90 OK 98 98 100 100 4.7-5.1 2.3/9950=81...(13) HB3 GLU 88 - H LYS 90 far 0 96 0 - 5.5-5.9 HB2 PRO 86 - H LYS 90 far 0 82 0 - 5.6-6.0 QE MET 21 - H LYS 90 far 0 100 0 - 5.7-6.3 HB VAL 83 - H LYS 90 far 0 92 0 - 6.3-6.6 HB2 GLU 16 - H LYS 90 far 0 95 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 9945 from nnoeabs.peaks (2.51, 8.05, 114.83 ppm; 5.99 A increased from 5.64 A): 2 out of 4 assignments used, quality = 1.00: HB3 ASP 87 + H LYS 90 OK 98 99 100 100 5.7-6.1 3.0/9951=97...(6) HB2 ASP 87 + H LYS 90 OK 98 99 100 100 5.9-6.3 3.0/9951=97...(6) HD2 ARG 91 - H LYS 90 far 4 90 5 - 6.2-7.6 HG3 GLU 95 - H LYS 90 far 0 95 0 - 8.0-9.9 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 3.9-4.3 10971/7415=87, 9852=87...(10) Violated in 0 structures by 0.00 A. Peak 9951 from nnoeabs.peaks (4.21, 8.05, 114.83 ppm; 3.99 A): 1 out of 2 assignments used, quality = 0.99: HA ASP 87 + H LYS 90 OK 99 99 100 100 3.8-4.0 10962=98, 9908/7417=65...(15) HB3 SER 85 - H LYS 90 far 0 85 0 - 6.8-8.0 Violated in 4 structures by 0.00 A. Peak 9955 from nnoeabs.peaks (0.77, 7.47, 119.03 ppm; 5.56 A): 2 out of 6 assignments used, quality = 1.00: QD1 ILE 93 + H ARG 91 OK 100 100 100 100 4.4-5.7 9947/3.6=90...(12) HG13 ILE 93 + H ARG 91 OK 35 81 65 68 5.4-6.3 4.6/7449=63, ~10029=11 QG2 ILE 93 - H ARG 91 far 0 91 0 - 6.4-6.7 QD2 LEU 57 - H ARG 91 far 0 87 0 - 7.4-8.1 HG3 ARG 81 - H ARG 91 far 0 73 0 - 9.0-10.3 QD1 LEU 27 - H ARG 91 far 0 100 0 - 9.2-9.8 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 4.1-4.5 10962/7431=71, 9896=67...(10) Violated in 0 structures by 0.00 A. Peak 9966 from nnoeabs.peaks (7.23, 10.29, 128.25 ppm; 5.14 A): 1 out of 1 assignment used, quality = 0.99: HH2 TRP 92 + HE1 TRP 92 OK 99 99 100 100 5.0-5.0 5.0=100 Violated in 0 structures by 0.00 A. Peak 9967 from nnoeabs.peaks (8.13, 10.29, 128.25 ppm; 5.84 A): 1 out of 2 assignments used, quality = 1.00: H TRP 92 + HE1 TRP 92 OK 100 100 100 100 5.1-5.5 7466/2.6=98, 7468=86...(7) H ASP 87 - HE1 TRP 92 far 0 100 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 9970 from nnoeabs.peaks (3.64, 10.29, 128.25 ppm; 5.80 A): 1 out of 3 assignments used, quality = 0.95: HA GLU 88 + HE1 TRP 92 OK 95 95 100 100 4.1-4.6 3.0/9974=91, 4.2/9973=68...(11) HA LYS 90 - HE1 TRP 92 far 0 82 0 - 8.7-9.2 HB THR 80 - HE1 TRP 92 far 0 63 0 - 9.8-10.8 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 2 assignments used, quality = 1.00: HB2 TRP 92 + HE1 TRP 92 OK 100 100 100 100 4.8-4.8 5.3=100 HB2 PHE 96 - HE1 TRP 92 far 0 100 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 9972 from nnoeabs.peaks (2.10, 10.29, 128.25 ppm; 4.57 A): 2 out of 4 assignments used, quality = 0.97: HB VAL 83 + HE1 TRP 92 OK 84 99 85 100 4.4-4.9 2.1/9998=92...(12) HB3 GLU 88 + HE1 TRP 92 OK 82 82 100 100 2.2-3.0 1.8/9974=82, 3.0/9973=53...(13) HG2 GLU 88 - HE1 TRP 92 poor 19 63 30 - 3.5-5.9 QE MET 21 - HE1 TRP 92 far 0 100 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 9973 from nnoeabs.peaks (1.94, 10.29, 128.25 ppm; 5.19 A increased from 4.89 A): 1 out of 2 assignments used, quality = 1.00: HG3 GLU 88 + HE1 TRP 92 OK 100 100 100 100 4.2-5.2 3.0/9974=81...(12) HB2 LYS 94 - HE1 TRP 92 far 0 92 0 - 9.7-12.2 Violated in 3 structures by 0.00 A. Peak 9974 from nnoeabs.peaks (1.80, 10.29, 128.25 ppm; 4.42 A): 1 out of 6 assignments used, quality = 0.99: HB2 GLU 88 + HE1 TRP 92 OK 99 100 100 100 3.6-4.4 9813/9998=67...(13) HB3 LYS 82 - HE1 TRP 92 far 0 59 0 - 6.4-7.2 HB3 LEU 57 - HE1 TRP 92 far 0 91 0 - 7.6-8.2 HB2 LYS 90 - HE1 TRP 92 far 0 99 0 - 8.6-9.1 HB ILE 93 - HE1 TRP 92 far 0 100 0 - 9.5-9.8 HB3 LYS 90 - HE1 TRP 92 far 0 75 0 - 9.8-10.3 Violated in 2 structures by 0.00 A. Peak 9975 from nnoeabs.peaks (1.73, 10.29, 128.25 ppm; 5.53 A increased from 5.21 A): 1 out of 4 assignments used, quality = 0.96: HD2 ARG 81 + HE1 TRP 92 OK 96 100 100 96 3.5-5.5 10925/2.8=76...(6) HB3 LYS 82 - HE1 TRP 92 far 0 59 0 - 6.4-7.2 HD2 LYS 90 - HE1 TRP 92 far 0 97 0 - 9.2-9.9 HD3 LYS 90 - HE1 TRP 92 far 0 79 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 9983 from nnoeabs.peaks (0.79, 8.14, 118.10 ppm; 4.73 A increased from 4.20 A): 2 out of 7 assignments used, quality = 0.95: QD1 ILE 93 + H TRP 92 OK 88 94 95 99 3.9-5.1 4162/7472=61...(8) QD1 LEU 57 + H TRP 92 OK 55 57 100 95 4.3-4.7 9808/10993=51...(10) QD2 LEU 57 - H TRP 92 far 0 99 0 - 5.6-6.0 QG2 ILE 93 - H TRP 92 far 0 63 0 - 5.7-5.9 QD1 LEU 27 - H TRP 92 far 0 93 0 - 7.8-8.5 QD2 LEU 103 - H TRP 92 far 0 59 0 - 8.8-19.0 QG2 ILE 7 - H TRP 92 far 0 99 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 9998 from nnoeabs.peaks (1.02, 10.29, 128.25 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: QG1 VAL 83 + HE1 TRP 92 OK 100 100 100 100 2.0-2.3 10295=74, 9796/2.6=66...(21) QG2 THR 80 - HE1 TRP 92 far 0 68 0 - 8.8-9.6 HB3 LEU 55 - HE1 TRP 92 far 0 98 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 9999 from nnoeabs.peaks (0.81, 10.29, 128.25 ppm; 4.84 A): 1 out of 4 assignments used, quality = 0.89: QD1 LEU 57 + HE1 TRP 92 OK 89 90 100 100 3.3-3.9 9808/9998=85...(19) QD2 LEU 57 - HE1 TRP 92 far 15 99 15 - 5.1-6.3 QD1 ILE 93 - HE1 TRP 92 far 0 65 0 - 7.3-8.6 QD2 LEU 103 - HE1 TRP 92 far 0 91 0 - 8.8-21.0 Violated in 0 structures by 0.00 A. Peak 10000 from nnoeabs.peaks (0.42, 10.29, 128.25 ppm; 6.50 A increased from 5.57 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 55 + HE1 TRP 92 OK 98 99 100 99 6.1-6.6 9255/5.3=75, 9276/5.3=66...(7) HG2 ARG 81 + HE1 TRP 92 OK 90 100 90 100 3.1-6.9 1.8/10001=93...(12) Violated in 0 structures by 0.00 A. Peak 10001 from nnoeabs.peaks (0.75, 10.29, 128.25 ppm; 5.97 A): 1 out of 7 assignments used, quality = 0.98: HG3 ARG 81 + HE1 TRP 92 OK 98 98 100 99 3.7-6.0 3.0/9975=79, ~10925=54...(12) QD1 ILE 93 - HE1 TRP 92 far 0 94 0 - 7.3-8.6 QD1 LEU 64 - HE1 TRP 92 far 0 99 0 - 7.3-8.0 HG13 ILE 93 - HE1 TRP 92 far 0 99 0 - 8.0-8.4 QG1 VAL 5 - HE1 TRP 92 far 0 85 0 - 8.4-9.1 QG1 VAL 58 - HE1 TRP 92 far 0 75 0 - 8.8-9.5 QG2 ILE 93 - HE1 TRP 92 far 0 100 0 - 9.5-9.7 Violated in 1 structures by 0.00 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 3.4-4.0 9282=95, 9262/3.0=83...(11) QD1 LEU 3 - H ILE 93 far 0 68 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 10006 from nnoeabs.peaks (1.32, 8.36, 120.59 ppm; 5.32 A): 2 out of 6 assignments used, quality = 0.95: QB ALA 89 + H ILE 93 OK 92 92 100 100 4.3-4.6 9939=89, 10321/4162=77...(9) HG2 LYS 94 + H ILE 93 OK 42 92 50 91 4.1-6.8 4.9/7498=67, 1.8/4229=23...(11) HG2 LYS 90 - H ILE 93 far 0 73 0 - 5.7-5.9 QB ALA 25 - H ILE 93 far 0 92 0 - 5.9-6.5 HB3 LEU 27 - H ILE 93 far 0 85 0 - 8.7-10.2 HG LEU 14 - H ILE 93 far 0 75 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 10033 from nnoeabs.peaks (7.45, 8.26, 121.69 ppm; 5.55 A): 1 out of 3 assignments used, quality = 0.97: H ARG 91 + H LYS 94 OK 97 97 100 100 4.8-5.0 10980=96, 7448/7473=83...(9) HE3 TRP 92 - H LYS 94 far 0 85 0 - 6.3-6.9 H ALA 89 - H LYS 94 far 0 75 0 - 7.9-8.2 Violated in 0 structures by 0.00 A. Peak 10034 from nnoeabs.peaks (2.41, 8.26, 121.69 ppm; 5.37 A): 1 out of 3 assignments used, quality = 0.97: HB3 MET 21 + H LYS 94 OK 97 98 100 100 4.1-4.9 4.3/8536=75...(9) HG3 MET 21 - H LYS 94 far 0 98 0 - 5.7-6.7 HG3 GLU 99 - H LYS 94 far 0 84 0 - 8.3-9.8 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 3 assignments used, quality = 1.00: HG3 GLU 95 + H LYS 94 OK 100 100 100 100 4.0-5.8 4307/7528=95...(10) HD2 ARG 91 - H LYS 94 far 0 59 0 - 6.7-8.1 HB3 ASP 87 - H LYS 94 far 0 81 0 - 9.9-10.9 Violated in 3 structures by 0.00 A. Peak 10038 from nnoeabs.peaks (3.11, 8.36, 118.50 ppm; 5.22 A): 1 out of 3 assignments used, quality = 0.98: HB2 PHE 96 + H GLU 95 OK 98 99 100 99 4.5-5.2 7557/7543=91...(4) HB2 TRP 92 - H GLU 95 far 5 100 5 - 5.5-5.9 HD3 ARG 79 - H GLU 95 far 0 71 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 10039 from nnoeabs.peaks (0.76, 8.36, 118.50 ppm; 5.40 A increased from 5.09 A): 1 out of 8 assignments used, quality = 1.00: QG2 ILE 93 + H GLU 95 OK 100 100 100 100 4.8-5.4 7508/7528=89...(6) QD1 LEU 27 - H GLU 95 far 0 98 0 - 5.7-6.7 HG13 ILE 93 - H GLU 95 far 0 98 0 - 5.8-6.4 QD1 ILE 93 - H GLU 95 far 0 98 0 - 5.8-6.8 QD2 LEU 57 - H GLU 95 far 0 59 0 - 7.3-8.1 QG1 VAL 5 - H GLU 95 far 0 77 0 - 7.4-8.3 QD2 LEU 27 - H GLU 95 far 0 82 0 - 8.0-8.9 HG3 ARG 81 - H GLU 95 far 0 95 0 - 8.3-11.2 Violated in 0 structures by 0.00 A. Peak 10043 from nnoeabs.peaks (0.77, 8.21, 120.37 ppm; 4.84 A increased from 4.55 A): 2 out of 10 assignments used, quality = 0.98: QG2 ILE 93 + H PHE 96 OK 93 93 100 100 4.3-4.9 3.2/7547=78...(9) QD1 LEU 27 + H PHE 96 OK 73 100 75 97 4.5-5.3 8645/7559=63...(7) HG13 ILE 93 - H PHE 96 far 0 84 0 - 5.6-6.1 QD1 ILE 93 - H PHE 96 far 0 100 0 - 6.2-6.7 QD2 LEU 57 - H PHE 96 far 0 84 0 - 6.5-7.1 HG3 ARG 81 - H PHE 96 far 0 77 0 - 7.6-10.7 QG2 ILE 52 - H GLU 104 far 0 94 0 - 9.4-14.6 QG1 VAL 54 - H PHE 96 far 0 99 0 - 9.5-10.4 QD2 LEU 2 - H GLU 104 far 0 53 0 - 9.6-16.9 QD1 LEU 27 - H GLU 104 far 0 96 0 - 9.8-15.2 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 3.7-4.2 9283=82, 9263/7558=59...(12) QD2 LEU 55 - H GLU 104 far 0 95 0 - 9.2-15.5 Violated in 1 structures by 0.00 A. Peak 10045 from nnoeabs.peaks (0.44, 8.21, 120.37 ppm; 5.46 A increased from 4.85 A): 1 out of 5 assignments used, quality = 1.00: QD1 LEU 55 + H PHE 96 OK 100 100 100 100 5.0-5.2 2.1/10044=97, 9277=94...(9) QD1 LEU 3 - H PHE 96 far 0 84 0 - 5.9-7.2 QD1 LEU 3 - H GLU 104 far 0 77 0 - 6.7-12.4 QD1 LEU 55 - H GLU 104 far 0 96 0 - 7.7-15.9 HG2 ARG 81 - H PHE 96 far 0 99 0 - 8.5-10.0 Violated in 0 structures by 0.00 A. Peak 10060 from nnoeabs.peaks (2.48, 8.22, 111.97 ppm; 5.57 A): 1 out of 2 assignments used, quality = 0.99: HG3 GLU 98 + H SER 97 OK 99 99 100 99 4.1-5.6 7594/7586=93...(6) HD2 ARG 91 - H SER 97 far 0 100 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. Peak 10061 from nnoeabs.peaks (2.21, 8.22, 111.97 ppm; 5.72 A increased from 5.08 A): 3 out of 3 assignments used, quality = 0.99: HB2 GLU 95 + H SER 97 OK 93 100 95 98 5.0-6.0 7539/7567=79...(5) HG2 GLU 98 + H SER 97 OK 70 100 70 100 5.4-6.2 7593/7586=94...(4) HG2 GLU 99 + H SER 97 OK 62 99 65 97 3.8-7.2 7606/7580=77...(4) Violated in 0 structures by 0.00 A. Peak 10062 from nnoeabs.peaks (2.07, 8.22, 111.97 ppm; 4.97 A increased from 4.68 A): 2 out of 7 assignments used, quality = 0.89: HB2 GLU 98 + H SER 97 OK 79 81 100 98 4.3-5.0 4.0/7586=77...(7) HB2 GLU 99 + H SER 97 OK 48 79 80 76 4.6-7.5 3.9/7580=60, 4323/3.6=28...(4) QE MET 21 - H SER 97 poor 17 84 20 - 4.9-5.8 HB3 GLU 98 - H SER 97 far 0 79 0 - 5.8-6.3 HB3 GLU 99 - H SER 97 far 0 68 0 - 5.9-7.1 HG12 ILE 93 - H SER 97 far 0 68 0 - 6.4-7.3 HB2 MET 21 - H SER 97 far 0 90 0 - 9.1-9.9 Violated in 0 structures by 0.00 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 3.8-4.4 10073/4356=75...(9) HG2 LYS 94 - H SER 97 far 0 97 0 - 5.4-6.4 HB3 LEU 27 - H SER 97 far 0 93 0 - 6.5-7.5 HG LEU 3 - H SER 97 far 0 84 0 - 7.0-8.4 QB ALA 89 - H SER 97 far 0 97 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 10064 from nnoeabs.peaks (0.76, 8.22, 111.97 ppm; 3.73 A): 1 out of 9 assignments used, quality = 0.97: QD1 LEU 27 + H SER 97 OK 97 99 100 99 3.0-3.8 8641/3.0=42...(18) QG2 ILE 93 - H SER 97 far 10 100 10 - 4.0-4.5 QD2 LEU 27 - H SER 97 far 0 81 0 - 4.7-5.6 HG13 ILE 93 - H SER 97 far 0 97 0 - 6.4-7.1 QG1 VAL 5 - H SER 97 far 0 75 0 - 6.7-7.4 QD1 ILE 93 - H SER 97 far 0 98 0 - 6.8-7.1 QD2 LEU 57 - H SER 97 far 0 61 0 - 7.8-8.5 QG1 VAL 54 - H SER 97 far 0 100 0 - 9.7-10.4 HG3 ARG 81 - H SER 97 far 0 94 0 - 9.9-12.8 Violated in 1 structures by 0.00 A. Peak 10065 from nnoeabs.peaks (0.49, 8.22, 111.97 ppm; 5.38 A increased from 4.78 A): 2 out of 2 assignments used, quality = 0.99: QD2 LEU 55 + H SER 97 OK 96 96 100 100 4.7-5.3 10050/4.2=74...(8) QD1 LEU 3 + H SER 97 OK 79 79 100 100 4.2-5.4 10066/3.0=73, 8076=70...(11) Violated in 0 structures by 0.00 A. Peak 10084 from nnoeabs.peaks (0.47, 7.79, 120.07 ppm; 5.93 A increased from 5.27 A): 1 out of 3 assignments used, quality = 0.96: QD1 LEU 3 + H GLU 99 OK 96 99 100 97 4.4-5.6 10066/7601=77...(4) QD2 LEU 55 - H GLU 99 far 0 70 0 - 7.0-8.0 QD1 LEU 55 - H GLU 99 far 0 61 0 - 7.2-8.5 Violated in 0 structures by 0.00 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 2.7-4.2 12051/2.9=83, 8075=75...(13) QD1 LEU 55 - H GLY 100 far 0 92 0 - 7.2-8.4 Violated in 0 structures by 0.00 A. Peak 10086 from nnoeabs.peaks (0.26, 8.14, 107.80 ppm; 5.63 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 3 + H GLY 100 OK 100 100 100 100 3.1-4.0 2.1/10085=89...(11) Violated in 0 structures by 0.00 A. Peak 10099 from nnoeabs.peaks (4.15, 8.02, 108.03 ppm; 5.00 A): 1 out of 4 assignments used, quality = 0.74: HA GLU 99 + H GLY 101 OK 74 77 100 96 4.1-5.0 3.6/7629=77...(6) HA GLU 98 - H GLY 101 far 3 70 5 - 3.6-7.4 HA GLU 104 - H GLY 101 far 0 82 0 - 8.1-11.8 HA MET 1 - H GLY 101 far 0 100 0 - 8.1-10.5 Violated in 1 structures by 0.00 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: HB2 GLU 99 + H GLY 101 OK 96 100 100 96 2.7-5.0 3.0/10099=72...(9) HB3 GLU 99 + H GLY 101 OK 96 100 100 96 2.3-5.4 3.0/10099=72...(9) HB3 GLU 98 - H GLY 101 far 5 100 5 - 5.5-8.2 HB2 GLU 98 - H GLY 101 far 0 100 0 - 5.9-8.0 Violated in 0 structures by 0.00 A. Peak 10104 from nnoeabs.peaks (0.44, 8.02, 108.03 ppm; 5.26 A): 1 out of 3 assignments used, quality = 0.83: QD1 LEU 3 + H GLY 101 OK 83 84 100 99 3.8-5.2 10093/3.6=69...(9) QD1 LEU 55 - H GLY 101 far 0 100 0 - 6.1-9.9 HG2 ARG 81 - H GLY 101 far 0 99 0 - 9.8-15.9 Violated in 0 structures by 0.00 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 3.0-4.8 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 1 assignment used, quality = 0.00: HB2 GLU 104 - H SER 102 lone 3 99 45 7 4.8-8.3 10307/4.0=4 Violated in 14 structures by 0.64 A. Peak 10112 from nnoeabs.peaks (1.59, 8.06, 115.27 ppm; 6.50 A increased from 5.83 A): 2 out of 4 assignments used, quality = 0.92: HB2 LEU 103 + H SER 102 OK 83 99 90 93 4.5-7.5 4.0/7644=89, ~10114=26 HG LEU 103 + H SER 102 OK 55 98 65 87 3.6-8.1 4490/7644=80, ~10114=22 HB2 ARG 79 - H SER 102 far 15 100 15 - 6.4-13.6 HG LEU 27 - H SER 102 far 0 100 0 - 7.2-14.9 Violated in 0 structures by 0.00 A. Peak 10113 from nnoeabs.peaks (1.32, 8.06, 115.27 ppm; 5.20 A): 0 out of 4 assignments used, quality = 0.00: HG LEU 3 - H SER 102 far 0 92 0 - 5.5-9.3 QB ALA 25 - H SER 102 far 0 92 0 - 7.0-13.3 HB3 LEU 27 - H SER 102 far 0 85 0 - 8.5-14.6 HB3 LEU 2 - H SER 102 far 0 97 0 - 9.3-13.9 Violated in 20 structures by 2.80 A. Peak 10146 from nnoeabs.peaks (1.52, 8.48, 122.32 ppm; 4.70 A): 1 out of 7 assignments used, quality = 0.96: HG3 LYS 33 + H VAL 32 OK 96 97 100 99 4.3-4.6 8595/3.0=74...(6) HG2 LYS 33 - H VAL 32 far 0 77 0 - 5.3-5.7 HB ILE 7 - H VAL 32 far 0 100 0 - 5.4-5.7 HG LEU 6 - H VAL 32 far 0 100 0 - 6.8-7.2 HG3 ARG 30 - H VAL 32 far 0 98 0 - 7.4-8.2 HG12 ILE 56 - H VAL 32 far 0 98 0 - 9.4-9.9 HG LEU 57 - H VAL 32 far 0 95 0 - 9.6-10.1 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 99 100 100 3.0-3.3 11115=95, 6102/8346=58...(11) HB THR 34 - H VAL 32 far 0 85 0 - 9.6-9.9 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 4.6-4.7 3.0/6530=96, 1523/8768=71 Violated in 0 structures by 0.00 A. Peak 10188 from nnoeabs.peaks (4.07, 7.62, 118.85 ppm; 4.43 A): 1 out of 2 assignments used, quality = 0.96: HA ARG 46 + H GLU 48 OK 96 100 100 97 3.8-4.5 3.6/6780=75...(8) HB2 SER 49 - H GLU 48 far 0 99 0 - 5.0-6.1 Violated in 1 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 4.4-4.7 9077=90, 2.9/6795=88...(14) Violated in 1 structures by 0.00 A. Peak 10190 from nnoeabs.peaks (4.53, 7.62, 118.85 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.94: HA PHE 45 + H GLU 48 OK 94 98 100 96 3.3-4.1 6760/6780=52...(9) Violated in 0 structures by 0.00 A. Peak 10237 from nnoeabs.peaks (2.61, 7.72, 120.36 ppm; 4.70 A): 1 out of 3 assignments used, quality = 0.99: HB VAL 58 + H LEU 64 OK 99 99 100 100 3.8-4.1 2.1/7040=91...(13) HB3 ASP 65 - H LEU 64 far 0 71 0 - 5.2-5.6 HB3 TYR 41 - H GLU 37 far 0 27 0 - 7.3-7.7 Violated in 0 structures by 0.00 A. Peak 10238 from nnoeabs.peaks (2.72, 7.72, 120.36 ppm; 4.88 A): 1 out of 3 assignments used, quality = 0.99: HB2 ASP 65 + H LEU 64 OK 99 99 100 100 4.2-4.4 7055/7047=90...(11) HB3 ASP 61 - H LEU 64 far 0 99 0 - 5.4-5.8 HE2 LYS 82 - H LEU 64 far 0 96 0 - 6.9-7.8 Violated in 0 structures by 0.00 A. Peak 10294 from nnoeabs.peaks (7.07, 9.20, 113.18 ppm; 5.34 A): 0 out of 0 assignments used, quality = 0.00: Peak 10303 from nnoeabs.peaks (7.69, 7.42, 118.87 ppm; 4.76 A increased from 4.48 A): 1 out of 2 assignments used, quality = 1.00: H SER 85 + H ALA 89 OK 100 100 100 100 4.4-4.7 10297/7402=65...(13) H MET 21 - H ALA 89 far 0 99 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 10304 from nnoeabs.peaks (8.13, 7.42, 118.87 ppm; 4.66 A increased from 4.38 A): 2 out of 2 assignments used, quality = 1.00: H ASP 87 + H ALA 89 OK 100 100 100 100 4.4-4.7 9897=92, 7386/7397=83...(15) H TRP 92 + H ALA 89 OK 99 100 100 99 4.6-4.8 7453/7408=69...(8) Violated in 0 structures by 0.00 A. Peak 10331 from nnoeabs.peaks (4.57, 8.50, 125.64 ppm; 6.24 A increased from 5.54 A): 1 out of 1 assignment used, quality = 1.00: HA ASP 77 + H ARG 79 OK 100 100 100 100 6.0-6.3 7274/7281=97...(5) Violated in 2 structures by 0.00 A. Peak 10371 from nnoeabs.peaks (1.05, 9.31, 126.92 ppm; 5.34 A increased from 4.75 A): 1 out of 4 assignments used, quality = 0.94: HB3 LEU 55 + H LEU 6 OK 94 94 100 100 3.5-5.2 8189/6059=80...(11) HB3 ARG 81 - H LEU 6 far 0 98 0 - 7.7-8.4 QG1 VAL 83 - H LEU 6 far 0 68 0 - 8.0-9.1 HG12 ILE 52 - H LEU 6 far 0 100 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 10385 from nnoeabs.peaks (4.62, 8.64, 122.61 ppm; 4.80 A): 1 out of 3 assignments used, quality = 0.72: HA ASP 11 + H ASN 10 OK 72 88 100 81 4.5-4.7 8355/6118=41...(6) HA ILE 8 - H ASN 10 far 0 99 0 - 6.3-6.4 HA ILE 8 - H ALA 18 far 0 83 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 10387 from nnoeabs.peaks (4.42, 8.67, 122.72 ppm; 4.41 A increased from 3.92 A): 1 out of 4 assignments used, quality = 0.99: HA SER 9 + H ASP 11 OK 99 100 100 99 4.0-4.2 3.0/10388=61...(8) HA MET 21 - H ALA 18 far 0 59 0 - 7.2-7.8 HB THR 84 - H ASP 11 far 0 96 0 - 9.9-10.7 HA SER 9 - H ALA 18 far 0 63 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 10388 from nnoeabs.peaks (3.93, 8.67, 122.72 ppm; 4.50 A increased from 4.24 A): 1 out of 3 assignments used, quality = 0.99: HB3 SER 9 + H ASP 11 OK 99 100 100 99 2.5-4.3 2.8/8372=79...(13) HA ALA 89 - H ALA 18 far 0 43 0 - 6.8-7.2 HB3 SER 9 - H ALA 18 far 0 64 0 - 7.3-8.4 Violated in 0 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 = 0.98: QD1 ILE 15 + H ASP 11 OK 97 99 100 97 2.9-3.5 8356/3.6=50...(17) HG13 ILE 15 + H ASP 11 OK 36 97 45 83 3.8-5.6 2.1/8439=26...(12) QD1 ILE 93 - H ALA 18 far 3 64 5 - 4.1-4.4 QG2 ILE 7 - H ALA 18 far 0 42 0 - 5.0-5.4 HG13 ILE 15 - H ALA 18 far 0 59 0 - 5.8-6.2 QG2 ILE 7 - H ASP 11 far 0 77 0 - 6.2-6.9 QD1 ILE 15 - H ALA 18 far 0 62 0 - 6.4-6.7 HG13 ILE 93 - H ALA 18 far 0 48 0 - 6.6-7.4 QG2 ILE 8 - H ASP 11 far 0 94 0 - 6.6-7.1 QG2 ILE 93 - H ALA 18 far 0 55 0 - 6.7-7.1 QD2 LEU 57 - H ALA 18 far 0 46 0 - 7.6-9.1 QD1 LEU 27 - H ALA 18 far 0 64 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 10390 from nnoeabs.peaks (1.71, 8.67, 122.72 ppm; 5.58 A increased from 4.70 A): 7 out of 23 assignments used, quality = 1.00: HG12 ILE 15 + H ASP 11 OK 95 96 100 98 4.4-5.9 2.1/10389=73...(7) HB ILE 15 + H ALA 18 OK 52 52 100 100 5.4-5.7 3.0/642=81, 6233/6242=63...(10) HD3 LYS 90 + H ALA 18 OK 50 60 90 92 4.6-7.5 10433/4.6=73...(5) HB ILE 15 + H ASP 11 OK 25 91 30 93 5.7-6.2 3.2/10389=67...(6) HD2 LYS 12 + H ASP 11 OK 25 99 40 62 4.9-9.0 6.2/6145=49, 10396/10389=26 HD3 LYS 12 + H ASP 11 OK 23 99 35 67 5.0-8.4 6.2/6145=49, 10396/10389=36 HD2 LYS 20 + H ALA 18 OK 22 41 80 68 4.6-6.7 5.9/6296=46, 447/6259=19...(5) HG3 LYS 20 - H ALA 18 poor 19 37 80 63 5.1-7.2 4.9/6296=56, 894/3.6=12 HD3 LYS 20 - H ALA 18 poor 12 37 55 57 5.0-7.4 5.9/6296=46, 905/3.6=13...(4) HG12 ILE 15 - H ALA 18 far 0 58 0 - 6.0-6.6 HD2 LYS 90 - H ALA 18 far 0 41 0 - 6.2-7.5 HG2 PRO 86 - H ALA 18 far 0 57 0 - 7.1-7.7 HD2 LYS 13 - H ASP 11 far 0 99 0 - 7.8-10.0 HD3 LYS 13 - H ALA 18 far 0 63 0 - 7.8-10.9 HD2 LYS 13 - H ALA 18 far 0 62 0 - 7.9-11.0 HD3 LYS 33 - H ASP 11 far 0 96 0 - 8.0-9.4 HD3 LYS 12 - H ALA 18 far 0 62 0 - 8.1-11.4 HD3 LYS 13 - H ASP 11 far 0 100 0 - 8.5-10.1 HD2 LYS 12 - H ALA 18 far 0 62 0 - 9.0-10.9 HG2 PRO 86 - H ASP 11 far 0 96 0 - 9.2-10.8 HD2 LYS 24 - H ALA 18 far 0 59 0 - 9.2-11.7 HD3 LYS 24 - H ALA 18 far 0 60 0 - 9.3-12.6 HD2 LYS 33 - H ASP 11 far 0 96 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 10397 from nnoeabs.peaks (0.79, 7.55, 122.27 ppm; 4.96 A): 2 out of 7 assignments used, quality = 0.90: QD1 ILE 15 + H LEU 14 OK 75 75 100 100 4.3-4.9 5.0/6209=63, 3.2/8440=49...(12) HG13 ILE 15 + H LEU 14 OK 62 65 95 99 4.2-6.1 4.6/6209=68, 2.1/8437=59...(10) QG2 ILE 15 - H LEU 14 far 0 93 0 - 5.8-6.0 QG2 ILE 7 - H LEU 14 far 0 99 0 - 6.7-7.2 QD1 ILE 93 - H LEU 14 far 0 91 0 - 8.8-9.2 QG2 ILE 8 - H LEU 14 far 0 100 0 - 9.4-10.0 QD1 LEU 57 - H LEU 14 far 0 63 0 - 9.6-10.5 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 4.6-4.8 6278/3.0=94...(8) H ASP 77 - H ARG 46 far 0 62 0 - 7.1-8.4 Violated in 0 structures by 0.00 A. Peak 10427 from nnoeabs.peaks (4.16, 8.06, 118.10 ppm; 4.40 A increased from 4.14 A): 2 out of 5 assignments used, quality = 0.99: HA LYS 13 + H GLU 17 OK 91 100 100 91 4.0-4.5 493/6250=72, 6226/4.6=49...(5) HA LYS 13 + H ILE 15 OK 87 93 100 93 4.3-4.5 3.6/6209=62, 6226/4.6=49...(6) HB2 SER 59 - H ILE 15 far 0 93 0 - 8.7-10.3 HB3 SER 85 - H GLU 17 far 0 68 0 - 9.7-10.3 HB3 SER 85 - H ILE 15 far 0 58 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 10441 from nnoeabs.peaks (1.57, 7.68, 118.10 ppm; 5.13 A): 1 out of 6 assignments used, quality = 0.91: HG3 LYS 90 + H MET 21 OK 91 95 100 96 3.9-4.8 1.8/8561=72, 4.0/8550=50...(9) HG2 LYS 24 - H MET 21 far 5 93 5 - 5.2-8.3 HG2 ARG 19 - H MET 21 far 0 94 0 - 6.0-7.2 HB3 LEU 29 - H MET 21 far 0 79 0 - 6.8-7.6 HD3 LYS 94 - H MET 21 far 0 75 0 - 8.8-11.3 HG LEU 27 - H MET 21 far 0 75 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 10442 from nnoeabs.peaks (0.65, 7.68, 118.10 ppm; 5.46 A): 1 out of 4 assignments used, quality = 1.00: QD1 LEU 29 + H MET 21 OK 100 100 100 100 4.6-5.3 8568/6345=89...(9) QD2 LEU 29 - H MET 21 far 0 99 0 - 5.9-6.5 QD1 ILE 7 - H MET 21 far 0 77 0 - 6.7-8.6 QD1 LEU 14 - H MET 21 far 0 82 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 10446 from nnoeabs.peaks (4.14, 8.81, 122.15 ppm; 5.61 A increased from 5.28 A): 1 out of 2 assignments used, quality = 1.00: HA GLU 23 + H ALA 22 OK 100 100 100 100 5.4-5.4 3.0/6354=99...(11) HA LYS 24 - H ALA 22 far 0 59 0 - 6.8-7.0 Violated in 0 structures by 0.00 A. Peak 10457 from nnoeabs.peaks (1.95, 8.28, 117.00 ppm; 4.76 A increased from 4.48 A): 1 out of 6 assignments used, quality = 0.97: HB2 LYS 24 + H GLU 23 OK 97 99 100 98 4.4-4.8 1061/6376=87...(5) HB3 LYS 24 - H GLU 23 far 0 99 0 - 5.3-6.2 HB3 LYS 20 - H GLU 23 far 0 92 0 - 5.3-5.9 HB3 ARG 19 - H GLU 23 far 0 85 0 - 5.6-6.2 HB2 LYS 94 - H GLU 23 far 0 73 0 - 8.9-10.8 HB2 GLU 17 - H GLU 23 far 0 98 0 - 9.2-9.7 Violated in 2 structures by 0.00 A. Peak 10458 from nnoeabs.peaks (1.60, 8.28, 117.00 ppm; 5.30 A increased from 4.71 A): 2 out of 7 assignments used, quality = 1.00: HB3 LEU 29 + H GLU 23 OK 100 100 100 100 4.9-5.0 8581/6363=89...(7) HG2 LYS 24 + H GLU 23 OK 34 99 35 98 5.0-7.2 2.9/10457=78...(7) HG2 ARG 19 - H GLU 23 far 0 98 0 - 6.1-7.8 HG LEU 27 - H GLU 23 far 0 100 0 - 6.6-7.1 HG3 LYS 90 - H GLU 23 far 0 98 0 - 8.2-8.8 HB3 GLU 28 - H GLU 23 far 0 70 0 - 9.2-10.0 HD2 LYS 94 - H GLU 23 far 0 82 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 10489 from nnoeabs.peaks (7.71, 8.24, 116.83 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: H ALA 25 + H LEU 27 OK 100 100 100 100 3.5-4.0 6409/6419=80...(11) H MET 21 - H LEU 27 far 0 75 0 - 8.4-8.9 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 3.3-3.7 8162=87, 8172/6476=67...(14) H LEU 57 - H ARG 30 far 0 99 0 - 7.3-7.7 H ARG 19 - H ARG 30 far 0 63 0 - 7.8-8.6 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 3.2-4.4 10335/1407=77...(10) HG12 ILE 7 - H VAL 32 far 0 65 0 - 6.3-6.7 HB3 ARG 30 - H VAL 32 far 0 94 0 - 6.3-6.6 HG3 LYS 40 - H VAL 32 far 0 77 0 - 8.8-10.5 HG LEU 14 - H VAL 32 far 0 59 0 - 9.8-10.5 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 10 assignments used, quality = 0.75: QD2 LEU 6 + H VAL 32 OK 59 84 100 70 4.0-4.3 10518/6509=29...(6) QD1 ILE 8 + H VAL 32 OK 40 100 40 100 4.5-5.1 12200/6509=75...(10) QG1 VAL 58 - H VAL 32 far 0 99 0 - 6.4-7.1 QD2 LEU 14 - H VAL 32 far 0 100 0 - 6.7-7.1 QG1 VAL 5 - H VAL 32 far 0 97 0 - 6.9-7.3 HG13 ILE 56 - H VAL 32 far 0 100 0 - 7.9-8.3 QD1 ILE 56 - H VAL 32 far 0 100 0 - 8.1-8.4 QG2 VAL 58 - H VAL 32 far 0 63 0 - 8.8-9.3 QD1 LEU 14 - H VAL 32 far 0 68 0 - 9.2-9.5 QD1 LEU 42 - H VAL 32 far 0 87 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 10516 from nnoeabs.peaks (7.83, 8.48, 122.32 ppm; 4.96 A): 1 out of 3 assignments used, quality = 0.97: H SER 9 + H VAL 32 OK 97 97 100 100 4.3-4.4 8346=93, 6102/11115=77...(11) HE ARG 30 - H VAL 32 far 0 65 0 - 6.1-10.3 H TYR 41 - H VAL 32 far 0 100 0 - 8.7-9.0 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 4.9-5.2 3.0/10147=91...(8) H SER 59 - H VAL 32 far 0 93 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 10538 from nnoeabs.peaks (0.82, 8.19, 118.33 ppm; 5.63 A increased from 5.30 A): 1 out of 5 assignments used, quality = 1.00: QD1 LEU 70 + H ASP 36 OK 100 100 100 100 5.0-5.8 10609/3.6=92...(10) QD2 LEU 70 - H ASP 36 far 10 99 10 - 5.3-6.6 QD2 LEU 38 - H ASP 36 far 0 100 0 - 6.7-7.0 QG2 VAL 32 - H ASP 36 far 0 96 0 - 6.7-7.0 QG2 ILE 8 - H ASP 36 far 0 77 0 - 7.5-8.5 Violated in 3 structures by 0.01 A. Peak 10547 from nnoeabs.peaks (3.61, 7.53, 119.20 ppm; 5.57 A increased from 5.24 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 39 + H LEU 38 OK 100 100 100 100 5.4-5.5 3.0/6591=98, 10558=93...(9) Violated in 0 structures by 0.00 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 4.8-5.1 3.0/12057=96...(9) Violated in 0 structures by 0.00 A. Peak 10555 from nnoeabs.peaks (9.31, 7.53, 119.20 ppm; 5.70 A): 1 out of 1 assignment used, quality = 1.00: H LYS 33 + H LEU 38 OK 100 100 100 100 4.5-5.0 6517/8932=95...(11) Violated in 0 structures by 0.00 A. Peak 10556 from nnoeabs.peaks (8.20, 8.08, 116.94 ppm; 5.03 A increased from 4.47 A): 1 out of 3 assignments used, quality = 0.99: H ASP 36 + H LYS 39 OK 99 99 100 100 4.9-5.0 3.0/8949=82...(11) H GLU 43 - H LYS 39 far 0 100 0 - 6.2-6.6 H LYS 68 - H LYS 39 far 0 99 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 10590 from nnoeabs.peaks (2.02, 7.96, 115.96 ppm; 4.19 A): 1 out of 3 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...(17) HB2 GLU 44 - H LEU 42 far 0 90 0 - 5.4-5.7 HB3 GLU 44 - H LEU 42 far 0 90 0 - 6.3-6.9 Violated in 0 structures by 0.00 A. Peak 10591 from nnoeabs.peaks (2.20, 7.96, 115.96 ppm; 5.17 A increased from 4.86 A): 1 out of 3 assignments used, quality = 0.95: HG2 GLU 43 + H LEU 42 OK 95 98 100 98 4.2-5.1 1561/6678=85...(8) HG2 GLU 35 - H LEU 42 far 0 100 0 - 8.1-10.2 HG3 GLU 35 - H LEU 42 far 0 100 0 - 8.3-10.4 Violated in 0 structures by 0.00 A. Peak 10610 from nnoeabs.peaks (1.69, 8.19, 117.17 ppm; 5.99 A increased from 4.79 A): 1 out of 6 assignments used, quality = 0.91: HB3 LYS 40 + H GLU 43 OK 91 99 100 92 5.5-5.7 1805/6683=76...(4) HD2 LYS 39 - H GLU 43 far 0 63 0 - 6.6-7.5 HD3 LYS 47 - H GLU 43 far 0 99 0 - 7.1-8.6 HD2 LYS 47 - H GLU 43 far 0 99 0 - 7.2-9.4 HB3 LEU 70 - H GLU 43 far 0 87 0 - 7.5-8.4 HD2 LYS 73 - H GLU 43 far 0 87 0 - 9.0-13.9 Violated in 0 structures by 0.00 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 3.7-4.7 9025/3.0=80...(19) HG13 ILE 7 - H GLU 16 far 0 63 0 - 6.4-7.7 QD1 LEU 2 - H ARG 46 far 0 100 0 - 6.9-8.1 QD1 LEU 38 - H ARG 46 far 0 87 0 - 7.6-8.2 Violated in 0 structures by 0.00 A. Peak 10621 from nnoeabs.peaks (3.94, 7.62, 118.85 ppm; 5.98 A increased from 5.63 A): 1 out of 2 assignments used, quality = 0.99: HA GLU 44 + H GLU 48 OK 99 99 100 100 5.5-6.0 6758/6780=92...(9) HA TYR 41 - H GLU 48 far 0 94 0 - 9.7-10.5 Violated in 1 structures by 0.00 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 4.1-4.9 6805/6795=88...(13) HA GLU 43 - H GLU 48 far 0 96 0 - 7.1-7.8 Violated in 0 structures by 0.00 A. Peak 10630 from nnoeabs.peaks (2.31, 8.55, 120.13 ppm; 4.90 A): 2 out of 2 assignments used, quality = 0.95: HB2 GLU 48 + H GLN 50 OK 93 95 100 98 2.2-4.6 4.6/6806=59...(12) HG2 GLU 48 + H GLN 50 OK 30 94 35 92 4.8-6.2 4.1/12314=46...(10) Violated in 0 structures by 0.00 A. Peak 10659 from nnoeabs.peaks (1.53, 8.64, 131.90 ppm; 4.82 A): 2 out of 10 assignments used, quality = 1.00: HG12 ILE 56 + H LEU 55 OK 97 100 100 98 4.3-4.7 6924/4.7=61, 9317/2.9=46...(10) HG LEU 6 + H LEU 55 OK 81 99 85 96 4.6-5.2 6066/9294=63...(9) HG3 ARG 79 - H LEU 55 far 5 100 5 - 4.9-8.4 HG2 ARG 79 - H LEU 55 far 0 100 0 - 5.9-8.3 HD3 LYS 53 - H LEU 55 far 0 95 0 - 7.0-8.4 HG LEU 57 - H LEU 55 far 0 70 0 - 7.1-7.5 HB2 LEU 3 - H LEU 55 far 0 94 0 - 7.4-8.1 HB ILE 7 - H LEU 55 far 0 98 0 - 8.2-8.5 HB3 GLU 28 - H LEU 55 far 0 81 0 - 8.4-9.1 HG3 ARG 30 - H LEU 55 far 0 100 0 - 9.0-10.4 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 3.8-4.5 8144/6905=89...(7) HB2 TYR 41 - H LEU 55 far 0 82 0 - 8.0-8.9 HG2 GLU 95 - H LEU 55 far 0 96 0 - 9.8-13.8 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 4.2-4.8 1.8/10660=88...(7) HG3 GLU 99 - H LEU 55 far 0 100 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 10667 from nnoeabs.peaks (0.82, 9.19, 126.37 ppm; 4.59 A): 1 out of 10 assignments used, quality = 0.78: QD2 LEU 57 + H ILE 56 OK 78 79 100 99 3.5-3.7 9272/2544=81...(11) QD1 LEU 57 - H ILE 56 far 0 100 0 - 5.0-6.2 QD2 LEU 38 - H ILE 56 far 0 100 0 - 5.7-6.1 QD1 LEU 38 - H ILE 56 far 0 65 0 - 5.8-6.3 QG2 VAL 32 - H ILE 56 far 0 100 0 - 7.3-7.7 QD2 LEU 64 - H ILE 56 far 0 61 0 - 8.4-8.9 QD1 ILE 76 - H ILE 56 far 0 87 0 - 8.4-9.0 QG2 ILE 7 - H ILE 56 far 0 84 0 - 8.6-8.7 QD1 LEU 70 - H ILE 56 far 0 99 0 - 8.7-9.8 QG2 ILE 8 - H ILE 56 far 0 61 0 - 8.7-9.0 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 4.5-4.8 8237=98, 3.0/9332=97...(13) H VAL 32 - H LEU 57 far 0 84 0 - 6.8-7.2 H THR 80 - H LEU 57 far 0 61 0 - 7.9-8.2 H ALA 67 - H LEU 57 far 0 84 0 - 8.8-9.2 H VAL 54 - H LEU 57 far 0 65 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 10693 from nnoeabs.peaks (1.37, 8.93, 126.55 ppm; 4.87 A): 1 out of 7 assignments used, quality = 0.97: HG12 ILE 8 + H LEU 57 OK 97 98 100 99 3.9-4.9 2.1/2600=74...(6) QB ALA 67 - H LEU 57 far 0 61 0 - 5.2-5.5 QB ALA 89 - H LEU 57 far 0 65 0 - 6.1-6.6 HB3 ARG 30 - H LEU 57 far 0 100 0 - 8.2-8.7 QB ALA 71 - H LEU 57 far 0 65 0 - 8.3-8.5 HG LEU 14 - H LEU 57 far 0 85 0 - 8.8-9.4 HB2 LYS 82 - H LEU 57 far 0 73 0 - 8.9-9.2 Violated in 1 structures by 0.00 A. Peak 10712 from nnoeabs.peaks (8.75, 8.54, 114.40 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: H ARG 81 + H VAL 58 OK 100 100 100 100 3.6-4.0 10926=100, 11122/6945=71...(18) H LYS 82 - H VAL 58 far 0 75 0 - 4.8-5.0 Violated in 0 structures by 0.00 A. Peak 10722 from nnoeabs.peaks (3.92, 7.73, 117.52 ppm; 5.83 A increased from 5.49 A): 1 out of 2 assignments used, quality = 1.00: HA GLU 63 + H ASN 60 OK 100 100 100 100 5.5-5.7 3.0/9414=96, 3.0/9413=95...(10) HB3 SER 9 - H ASN 60 far 0 100 0 - 7.1-9.1 Violated in 0 structures by 0.00 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 4.9-5.1 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 2 assignments used, quality = 0.98: HB ILE 8 + H ASN 60 OK 98 99 100 100 5.2-5.8 9400/6967=91...(5) HB VAL 32 - H ASN 60 far 0 70 0 - 9.7-10.3 Violated in 1 structures by 0.00 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 4.6-4.8 7044/3.0=84...(13) 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 = 0.93: HB3 GLU 63 + H GLU 62 OK 93 94 100 99 4.7-5.0 3.0/10741=69...(6) HB2 LYS 66 - H GLU 62 far 0 77 0 - 8.5-8.7 HB3 LYS 82 - H GLU 62 far 0 73 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 10739 from nnoeabs.peaks (1.50, 8.40, 122.15 ppm; 6.39 A increased from 5.11 A): 2 out of 4 assignments used, quality = 1.00: HB3 LEU 64 + H GLU 62 OK 98 98 100 100 6.1-6.3 9481/3.6=94...(7) HG2 LYS 66 + H GLU 62 OK 94 99 100 95 5.8-6.7 10778/10735=69...(7) HG3 LYS 66 - H GLU 62 far 0 99 0 - 6.8-7.5 HG LEU 64 - H GLU 62 far 0 90 0 - 7.4-7.6 Violated in 0 structures by 0.00 A. Peak 10740 from nnoeabs.peaks (0.70, 8.40, 122.15 ppm; 5.83 A): 1 out of 3 assignments used, quality = 0.87: QG2 VAL 58 + H GLU 62 OK 87 87 100 100 5.2-5.6 9448/3.6=74...(10) QG1 VAL 58 - H GLU 62 far 0 91 0 - 6.6-6.7 QD1 ILE 8 - H GLU 62 far 0 99 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 10741 from nnoeabs.peaks (3.92, 8.40, 122.15 ppm; 5.45 A increased from 5.13 A): 1 out of 1 assignment used, quality = 0.98: HA GLU 63 + H GLU 62 OK 98 99 100 99 5.3-5.4 3.6/7011=83...(6) Violated in 0 structures by 0.00 A. Peak 10749 from nnoeabs.peaks (2.63, 8.38, 119.08 ppm; 5.59 A): 1 out of 3 assignments used, quality = 0.73: HB VAL 58 + H GLU 63 OK 73 73 100 100 4.4-4.6 2.1/10720=86...(13) HB3 ASP 65 - H GLU 63 far 0 99 0 - 6.0-6.5 HB3 ASP 77 - H TYR 4 far 0 58 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 10766 from nnoeabs.peaks (1.78, 7.92, 118.10 ppm; 5.34 A increased from 4.74 A): 1 out of 4 assignments used, quality = 1.00: HB3 GLU 63 + H ASP 65 OK 100 100 100 100 5.2-5.4 7032/7047=84...(8) HB2 LYS 66 - H ASP 65 far 0 99 0 - 6.2-6.4 HB3 LYS 82 - H ASP 65 far 0 98 0 - 8.1-8.7 HB ILE 56 - H ASP 65 far 0 97 0 - 8.4-8.7 Violated in 3 structures by 0.00 A. Peak 10767 from nnoeabs.peaks (2.02, 7.92, 118.10 ppm; 5.63 A increased from 5.00 A): 1 out of 1 assignment used, quality = 1.00: HB2 GLU 62 + H ASP 65 OK 100 100 100 100 5.3-5.4 3.0/7044=96...(4) Violated in 0 structures by 0.00 A. Peak 10768 from nnoeabs.peaks (2.51, 7.92, 118.10 ppm; 4.99 A): 1 out of 3 assignments used, quality = 0.88: HB2 ASP 61 + H ASP 65 OK 88 100 100 88 4.8-5.0 3.0/10736=66...(3) HG3 GLU 63 - H ASP 65 far 0 99 0 - 6.4-6.7 HG3 GLN 72 - H ASP 65 far 0 75 0 - 9.8-10.3 Violated in 1 structures by 0.00 A. Peak 10773 from nnoeabs.peaks (8.20, 7.92, 118.10 ppm; 5.04 A increased from 4.74 A): 1 out of 1 assignment used, quality = 0.97: H LYS 68 + H ASP 65 OK 97 97 100 100 4.8-4.9 7100/3.0=82, 7099/3.6=73...(16) Violated in 0 structures by 0.00 A. Peak 10789 from nnoeabs.peaks (4.01, 8.19, 116.17 ppm; 5.31 A increased from 4.72 A): 1 out of 2 assignments used, quality = 0.96: HA GLU 69 + H LYS 68 OK 96 96 100 100 5.1-5.2 3.0/7115=98, 3.6/7116=71...(8) HA LEU 70 - H LYS 68 far 0 99 0 - 7.0-7.2 Violated in 0 structures by 0.00 A. Peak 10805 from nnoeabs.peaks (8.29, 7.90, 119.49 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.78: H ALA 71 + H GLU 69 OK 78 82 100 94 4.0-4.4 7157/7137=65...(12) Violated in 0 structures by 0.00 A. Peak 10819 from nnoeabs.peaks (1.48, 7.96, 119.43 ppm; 4.93 A): 1 out of 7 assignments used, quality = 0.96: HG2 LYS 73 + H LEU 70 OK 96 99 100 97 4.2-4.9 10813/3.0=72...(11) HG LEU 38 - H LEU 70 far 0 87 0 - 5.9-6.6 HB2 LEU 38 - H LEU 70 far 0 81 0 - 6.0-7.9 HG2 LYS 66 - H LEU 70 far 0 99 0 - 6.1-6.7 HG3 LYS 66 - H LEU 70 far 0 99 0 - 6.5-7.0 HG LEU 64 - H LEU 70 far 0 100 0 - 8.2-8.8 HB3 LEU 64 - H LEU 70 far 0 100 0 - 9.8-10.3 Violated in 2 structures by 0.00 A. Peak 10823 from nnoeabs.peaks (1.86, 8.26, 119.60 ppm; 6.09 A increased from 5.13 A): 4 out of 11 assignments used, quality = 1.00: HB3 LYS 68 + H ALA 71 OK 90 98 100 91 5.9-6.3 3020/10805=62...(6) HB2 LYS 68 + H ALA 71 OK 89 91 100 99 5.5-6.0 9557/7166=76...(6) HG LEU 42 + H ALA 71 OK 63 63 100 100 5.6-6.3 2.1/10414=98, ~12014=83...(14) HG LEU 42 + H PHE 45 OK 34 38 100 89 5.9-6.1 4.3/1906=82, 1934/6698=37 HB3 LYS 39 - H ALA 71 poor 20 100 20 - 6.3-8.9 HG2 ARG 46 - H PHE 45 poor 10 42 25 - 5.6-7.2 HB3 LYS 66 - H ALA 71 far 0 100 0 - 7.3-7.7 HB VAL 54 - H PHE 45 far 0 53 0 - 7.4-8.2 HB VAL 54 - H ALA 71 far 0 84 0 - 7.8-8.2 HG2 ARG 46 - H ALA 71 far 0 70 0 - 8.8-11.9 HB3 LYS 39 - H PHE 45 far 0 71 0 - 9.4-10.4 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...(11) H VAL 78 - H GLN 72 far 0 100 0 - 6.2-6.7 Violated in 0 structures by 0.00 A. Peak 10827 from nnoeabs.peaks (8.08, 7.91, 115.96 ppm; 5.35 A increased from 4.75 A): 1 out of 2 assignments used, quality = 0.99: H GLU 75 + H GLN 72 OK 99 100 100 99 4.9-5.2 7231/10826=74...(6) H LYS 39 - H GLN 72 far 0 100 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 10847 from nnoeabs.peaks (0.77, 7.91, 115.96 ppm; 4.34 A): 0 out of 8 assignments used, quality = 0.00: QG1 VAL 78 - H GLN 72 far 0 87 0 - 5.0-5.8 QD1 ILE 76 - H GLN 72 far 0 75 0 - 5.2-5.9 QD2 LEU 42 - H GLN 72 far 0 100 0 - 5.5-5.9 QD2 LEU 70 - H GLN 72 far 0 61 0 - 5.8-6.2 QG1 VAL 54 - H GLN 72 far 0 99 0 - 8.2-8.9 QD1 LEU 64 - H GLN 72 far 0 81 0 - 8.4-9.3 QD1 LEU 6 - H GLN 72 far 0 100 0 - 8.5-8.8 QG2 ILE 52 - H GLN 72 far 0 99 0 - 9.5-10.5 Violated in 17 structures by 0.06 A. Peak 10855 from nnoeabs.peaks (8.10, 7.84, 119.03 ppm; 4.81 A): 1 out of 1 assignment used, quality = 0.75: H GLU 75 + H LYS 73 OK 75 81 100 93 3.8-4.2 4.6/7213=67...(6) Violated in 0 structures by 0.00 A. Peak 10856 from nnoeabs.peaks (8.25, 7.84, 119.03 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.97: H ALA 71 + H LYS 73 OK 97 97 100 100 4.0-4.6 7166/7196=89...(10) Violated in 0 structures by 0.00 A. Peak 10857 from nnoeabs.peaks (4.02, 7.75, 115.79 ppm; 4.91 A increased from 4.36 A): 2 out of 4 assignments used, quality = 1.00: HA LEU 70 + H MET 74 OK 99 100 100 99 4.3-5.1 10810/7213=71...(11) HA GLU 75 + H MET 74 OK 93 93 100 100 4.4-4.7 9625=89, 2.9/7231=89...(12) HA GLU 69 - H MET 74 far 0 85 0 - 6.1-6.9 HB2 SER 49 - H MET 74 far 0 61 0 - 9.0-10.6 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 4 assignments used, quality = 0.93: HA ALA 71 + H MET 74 OK 93 93 100 100 3.5-3.7 10828=65, 2.1/9590=64...(16) HA GLU 43 - H MET 74 far 0 94 0 - 8.3-9.3 HA ALA 67 - H MET 74 far 0 99 0 - 8.8-9.2 HB3 SER 49 - H MET 74 far 0 99 0 - 9.2-11.3 Violated in 0 structures by 0.00 A. Peak 10864 from nnoeabs.peaks (2.19, 7.75, 115.79 ppm; 5.37 A increased from 4.30 A): 4 out of 7 assignments used, quality = 1.00: HG2 GLU 75 + H MET 74 OK 91 98 95 98 4.6-7.0 5.0/7231=68, 4.0/9625=65...(10) HB2 GLN 72 + H MET 74 OK 89 90 100 99 4.8-5.3 4.6/7213=79...(6) HB3 GLU 75 + H MET 74 OK 70 100 70 100 5.3-5.8 4.0/7231=82, 2.9/9625=77...(9) HG3 GLU 75 + H MET 74 OK 43 99 45 98 4.6-6.7 5.0/7231=68, 4.0/9625=65...(9) HG2 GLU 43 - H MET 74 far 0 100 0 - 8.3-10.5 HG2 GLU 35 - H MET 74 far 0 99 0 - 9.9-11.4 HG3 GLU 35 - H MET 74 far 0 99 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 10897 from nnoeabs.peaks (0.70, 8.89, 126.14 ppm; 5.42 A): 1 out of 5 assignments used, quality = 0.88: QG2 VAL 78 + H ASP 77 OK 88 88 100 100 5.1-5.5 4.0/7273=72, 8181/3.0=59...(10) QD1 ILE 52 - H ASP 77 far 0 100 0 - 6.0-7.1 QD1 LEU 42 - H ASP 77 far 0 99 0 - 7.0-7.6 QD1 ILE 56 - H ASP 77 far 0 99 0 - 7.3-7.8 HG13 ILE 56 - H ASP 77 far 0 96 0 - 9.8-10.4 Violated in 1 structures by 0.00 A. Peak 10898 from nnoeabs.peaks (0.88, 7.75, 122.84 ppm; 5.05 A): 1 out of 4 assignments used, quality = 1.00: QG2 ILE 76 + H VAL 78 OK 100 100 100 100 4.0-4.3 10906/4.0=82, 9626=82...(13) QD1 LEU 38 - H VAL 78 far 0 95 0 - 7.4-7.9 QD1 LEU 103 - H VAL 78 far 0 98 0 - 9.5-16.7 QD1 LEU 2 - H VAL 78 far 0 100 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 10899 from nnoeabs.peaks (1.66, 7.75, 122.84 ppm; 5.55 A): 1 out of 7 assignments used, quality = 0.98: HB ILE 76 + H VAL 78 OK 98 98 100 100 4.0-4.6 2.1/10898=88...(9) HB3 ARG 79 - H VAL 78 far 0 100 0 - 6.9-7.1 HB3 LYS 53 - H VAL 78 far 0 81 0 - 7.5-8.6 HD3 LYS 68 - H VAL 78 far 0 100 0 - 8.4-10.7 HD2 LYS 68 - H VAL 78 far 0 100 0 - 8.8-10.7 HG2 LYS 68 - H VAL 78 far 0 96 0 - 9.1-9.6 HB ILE 52 - H VAL 78 far 0 98 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 10919 from nnoeabs.peaks (1.38, 8.42, 118.08 ppm; 6.07 A increased from 5.40 A): 0 out of 4 assignments used, quality = 0.00: QB ALA 71 - H THR 80 poor 18 71 95 27 5.5-6.6 10292/9715=25 HG3 LYS 68 - H THR 80 far 0 79 0 - 6.9-7.6 HB2 LYS 82 - H THR 80 far 0 68 0 - 8.6-9.1 HB2 LEU 70 - H THR 80 far 0 99 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 10920 from nnoeabs.peaks (4.38, 8.42, 118.08 ppm; 6.18 A): 1 out of 1 assignment used, quality = 0.92: HA ARG 81 + H THR 80 OK 92 92 100 100 4.9-5.5 ~7311=79, ~3563=76...(10) Violated in 0 structures by 0.00 A. Peak 10921 from nnoeabs.peaks (1.76, 8.76, 122.84 ppm; 4.15 A): 1 out of 5 assignments used, quality = 1.00: HB ILE 56 + H ARG 81 OK 100 100 100 100 3.6-4.0 10293/7311=69...(10) HD2 ARG 81 - H ARG 81 far 0 63 0 - 4.7-6.3 HB3 LYS 82 - H ARG 81 far 0 100 0 - 6.5-6.8 HB VAL 78 - H ARG 81 far 0 94 0 - 7.0-8.2 HB3 GLU 63 - H ARG 81 far 0 96 0 - 8.1-8.7 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 = 1.00: H VAL 58 + H ARG 81 OK 100 100 100 100 3.6-4.0 10712=92, 6945/11122=68...(18) Violated in 0 structures by 0.00 A. Peak 10939 from nnoeabs.peaks (0.86, 8.72, 124.67 ppm; 3.99 A): 1 out of 4 assignments used, quality = 1.00: QD2 LEU 64 + H LYS 82 OK 100 100 100 100 3.5-4.0 10247=72, 2.1/7328=64...(12) QD1 LEU 57 - H LYS 82 far 0 65 0 - 4.5-4.8 QD1 LEU 103 - H LYS 82 far 0 100 0 - 9.0-23.8 HG13 ILE 8 - H LYS 82 far 0 87 0 - 9.6-12.4 Violated in 3 structures by 0.00 A. Peak 10951 from nnoeabs.peaks (7.57, 7.69, 115.56 ppm; 5.02 A): 1 out of 2 assignments used, quality = 1.00: H GLU 88 + H SER 85 OK 100 100 100 100 4.3-4.5 7393/10297=73...(13) H LEU 14 - H SER 85 far 0 97 0 - 8.0-8.7 Violated in 0 structures by 0.00 A. Peak 10963 from nnoeabs.peaks (8.04, 8.13, 115.38 ppm; 5.19 A increased from 4.61 A): 1 out of 4 assignments used, quality = 1.00: H LYS 90 + H ASP 87 OK 100 100 100 100 5.0-5.2 9951/2.9=87...(12) H GLU 17 - H ASP 87 far 0 87 0 - 7.9-8.3 H ILE 15 - H ASP 87 far 0 68 0 - 9.2-9.6 H GLU 16 - H ASP 87 far 0 88 0 - 9.9-10.4 Violated in 1 structures by 0.00 A. Peak 10975 from nnoeabs.peaks (2.50, 7.42, 118.87 ppm; 4.81 A): 0 out of 4 assignments used, quality = 0.00: HB2 ASP 87 - H ALA 89 far 0 99 0 - 5.2-6.3 HB3 ASP 87 - H ALA 89 far 0 99 0 - 5.3-6.2 HD2 ARG 91 - H ALA 89 far 0 93 0 - 5.9-7.7 HG3 GLU 95 - H ALA 89 far 0 92 0 - 8.8-10.9 Violated in 16 structures by 0.10 A. Peak 10976 from nnoeabs.peaks (1.24, 7.42, 118.87 ppm; 5.48 A increased from 4.87 A): 1 out of 2 assignments used, quality = 0.90: QB ALA 18 + H ALA 89 OK 90 95 100 94 5.1-5.2 ~12030=63, 12013/8433=48...(6) QG2 THR 84 - H ALA 89 far 0 100 0 - 7.5-7.8 Violated in 0 structures by 0.00 A. Peak 10977 from nnoeabs.peaks (8.39, 8.05, 114.83 ppm; 5.35 A): 1 out of 2 assignments used, quality = 0.86: H ILE 93 + H LYS 90 OK 86 87 100 100 4.6-4.8 3922/3.0=71...(6) H GLU 95 - H LYS 90 far 0 82 0 - 7.7-8.2 Violated in 0 structures by 0.00 A. Peak 10980 from nnoeabs.peaks (8.26, 7.47, 119.03 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: H LYS 94 + H ARG 91 OK 100 100 100 100 4.8-5.0 7473/7448=79, 10033=75...(9) Violated in 0 structures by 0.00 A. Peak 10981 from nnoeabs.peaks (6.89, 7.47, 119.03 ppm; 5.83 A): 1 out of 1 assignment used, quality = 0.88: HD1 TRP 92 + H ARG 91 OK 88 90 100 99 4.5-5.1 7466/7448=72...(9) 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...(6) HA VAL 83 - H ARG 91 far 0 99 0 - 8.8-9.4 Violated in 2 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): 2 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 HG3 GLU 95 + HE ARG 91 OK 24 70 75 46 3.0-7.6 10040/4.0=30...(3) HB3 ASP 87 - HE ARG 91 far 0 100 0 - 7.3-9.4 HB2 ASP 87 - HE ARG 91 far 0 100 0 - 8.2-11.0 HG3 GLU 98 - HE ARG 91 far 0 94 0 - 9.4-12.2 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 2.4-3.8 4.0=100 HB2 ARG 91 + HE ARG 91 OK 90 90 100 100 4.2-5.2 4.6=100 HG LEU 57 - HE ARG 91 far 0 63 0 - 9.8-12.6 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 2.3-3.5 4.0=100 HB3 ARG 81 - HE ARG 91 far 0 92 0 - 8.7-12.4 Violated in 0 structures by 0.00 A. Peak 10990 from nnoeabs.peaks (2.10, 7.47, 119.03 ppm; 5.64 A increased from 4.75 A): 2 out of 5 assignments used, quality = 0.99: QE MET 21 + H ARG 91 OK 95 100 95 100 5.3-5.9 8543/3.6=87, 8539=78...(10) HB3 GLU 88 + H ARG 91 OK 90 92 100 98 5.2-5.7 3.0/3869=91...(5) HB3 PRO 86 - H ARG 91 far 0 100 0 - 6.8-7.3 HB VAL 83 - H ARG 91 far 0 96 0 - 7.1-7.8 HB2 PRO 86 - H ARG 91 far 0 90 0 - 8.0-8.4 Violated in 0 structures by 0.00 A. Peak 10991 from nnoeabs.peaks (1.33, 7.47, 119.03 ppm; 4.89 A increased from 4.12 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 89 + H ARG 91 OK 100 100 100 100 4.3-4.7 7415/7431=90...(7) HG2 LYS 94 - H ARG 91 poor 20 100 20 - 4.4-7.2 HG LEU 14 - H ARG 91 far 0 97 0 - 8.3-9.0 QB ALA 25 - H ARG 91 far 0 100 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 10993 from nnoeabs.peaks (1.00, 8.14, 118.10 ppm; 5.39 A): 1 out of 4 assignments used, quality = 0.98: QG1 VAL 83 + H TRP 92 OK 98 98 100 100 4.6-4.9 9796/7466=83...(13) QG2 VAL 83 - H TRP 92 far 0 68 0 - 6.0-6.3 HG LEU 55 - H TRP 92 far 0 70 0 - 7.1-7.8 HB3 LEU 55 - H TRP 92 far 0 79 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. Peak 10994 from nnoeabs.peaks (1.34, 8.14, 118.10 ppm; 5.43 A): 3 out of 5 assignments used, quality = 1.00: QB ALA 89 + H TRP 92 OK 100 100 100 100 4.3-4.6 2.1/3904=89...(10) HG2 LYS 94 + H TRP 92 OK 40 100 50 81 4.0-6.9 7515/7473=71...(3) HG3 LYS 94 + H TRP 92 OK 21 63 45 73 4.0-7.8 4.9/7473=64, 1773/3.6=13...(4) QB ALA 25 - H TRP 92 far 0 100 0 - 7.8-8.3 HG LEU 14 - H TRP 92 far 0 100 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 11006 from nnoeabs.peaks (4.03, 8.26, 121.69 ppm; 5.58 A): 1 out of 2 assignments used, quality = 1.00: HA GLU 95 + H LYS 94 OK 100 100 100 100 5.2-5.3 3.0/7528=98, 3.6/7522=86...(10) HA GLU 17 - H LYS 94 far 0 81 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 11007 from nnoeabs.peaks (2.19, 8.26, 121.69 ppm; 6.36 A increased from 5.35 A): 2 out of 4 assignments used, quality = 1.00: HB2 GLU 95 + H LYS 94 OK 99 99 100 100 4.6-6.2 4.0/7528=97...(5) HB3 GLU 95 + H LYS 94 OK 68 68 100 100 4.4-6.2 4.0/7528=97, 4.6/7522=87...(5) HG2 GLU 98 - H LYS 94 far 0 90 0 - 7.7-9.0 HG2 GLU 99 - H LYS 94 far 0 81 0 - 7.9-10.6 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 4.8-5.5 9262/3.6=95...(8) 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 = 0.96: QB ALA 25 + H GLU 98 OK 94 99 95 99 4.5-5.4 10069/3.6=70...(7) HG2 LYS 94 + H GLU 98 OK 29 99 35 83 5.0-6.8 3.7/7582=65...(5) HG3 LYS 94 + H GLU 98 OK 22 71 40 76 3.7-6.9 3.7/7582=65, 1817=10...(7) HB3 LEU 27 - H GLU 98 far 0 100 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 11021 from nnoeabs.peaks (0.74, 7.66, 120.59 ppm; 5.20 A increased from 4.90 A): 1 out of 6 assignments used, quality = 0.86: QD1 LEU 27 + H GLU 98 OK 86 88 100 98 4.7-5.0 10064/7586=82...(6) QD2 LEU 27 - H GLU 98 far 0 96 0 - 5.6-6.3 QG2 ILE 93 - H GLU 98 far 0 100 0 - 5.7-6.4 QD1 ILE 93 - H GLU 98 far 0 87 0 - 8.4-9.0 HG13 ILE 93 - H GLU 98 far 0 100 0 - 8.8-9.6 QG1 VAL 5 - H GLU 98 far 0 93 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 11036 from nnoeabs.peaks (3.17, 7.45, 83.22 ppm; 3.50 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 19 + HE ARG 19 OK 100 100 100 100 2.3-2.9 2.9=100 HD3 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 - 6.9-13.3 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 2.7-2.9 2.9=100 HB2 ASP 77 - HE ARG 46 far 0 96 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. Peak 11041 from nnoeabs.peaks (1.98, 7.47, 84.20 ppm; 4.74 A increased from 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=100 HB3 ARG 46 + HE ARG 46 OK 96 96 100 100 2.2-5.0 4.5=100 HB3 MET 74 + HE ARG 46 OK 34 98 40 87 3.7-6.9 ~12326=34, ~9013=33...(7) QE MET 74 - HE ARG 46 poor 17 84 20 - 3.7-6.5 HB2 LYS 73 - HE ARG 46 far 0 94 0 - 7.1-12.2 HB3 LYS 73 - HE ARG 46 far 0 93 0 - 7.2-11.4 HB2 LYS 47 - HE ARG 46 far 0 100 0 - 7.6-10.4 HB2 GLU 44 - HE ARG 46 far 0 85 0 - 7.8-11.8 HB3 GLU 44 - HE ARG 46 far 0 85 0 - 7.9-12.2 Violated in 0 structures by 0.00 A. Peak 11042 from nnoeabs.peaks (1.81, 7.47, 84.20 ppm; 4.59 A): 2 out of 4 assignments used, quality = 1.00: HG2 ARG 46 + HE ARG 46 OK 94 94 100 100 2.2-3.6 3.6=100 HG3 ARG 46 + HE ARG 46 OK 92 92 100 100 2.5-3.8 3.6=100 HB2 LEU 42 - HE ARG 46 far 0 100 0 - 5.7-9.0 HB2 LYS 39 - HE ARG 46 far 0 99 0 - 8.9-12.7 Violated in 0 structures by 0.00 A. Peak 11043 from nnoeabs.peaks (7.47, 7.47, 84.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE ARG 46 + HE ARG 46 OK 100 100 - 100 Peak 11044 from nnoeabs.peaks (1.89, 7.45, 83.22 ppm; 4.83 A): 2 out of 7 assignments used, quality = 1.00: HB2 ARG 19 + HE ARG 19 OK 100 100 100 100 2.0-4.8 4.8=100 HB3 ARG 19 + HE ARG 19 OK 68 68 100 100 2.4-5.0 4.8=100 HB2 LYS 20 - HE ARG 19 far 0 100 0 - 5.9-10.3 HB VAL 5 - HE ARG 19 far 0 71 0 - 6.7-10.9 HB2 LYS 12 - HE ARG 19 far 0 77 0 - 7.1-10.9 HB3 LYS 12 - HE ARG 19 far 0 81 0 - 8.4-12.5 HB3 LEU 14 - HE ARG 19 far 0 99 0 - 8.8-11.8 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 2.2-4.0 3.6=100 HB ILE 15 - HE ARG 19 poor 17 70 25 - 4.2-8.2 HB2 GLU 28 - HE ARG 19 far 0 91 0 - 8.2-12.5 HD3 LYS 33 - HE ARG 19 far 0 59 0 - 8.5-13.7 HD2 LYS 33 - HE ARG 19 far 0 59 0 - 9.6-13.6 Violated in 0 structures by 0.00 A. Peak 11046 from nnoeabs.peaks (1.60, 7.45, 83.22 ppm; 4.89 A): 1 out of 5 assignments used, quality = 0.98: HG2 ARG 19 + HE ARG 19 OK 98 98 100 100 2.2-3.6 3.6=100 HB3 LEU 29 - HE ARG 19 poor 20 100 25 79 2.9-7.4 3.1/11049=34, ~8522=21...(7) HB2 ARG 30 - HE ARG 19 far 0 100 0 - 6.2-10.7 HG3 LYS 12 - HE ARG 19 far 0 100 0 - 7.6-12.5 HB3 GLU 28 - HE ARG 19 far 0 68 0 - 9.2-13.5 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 5 assignments used, quality = 1.00: HB3 ARG 19 + HE ARG 19 OK 100 100 100 100 2.4-5.0 4.8=100 HB3 LYS 20 - HE ARG 19 far 0 100 0 - 6.9-10.5 HB VAL 32 - HE ARG 19 far 0 100 0 - 8.8-13.3 HB3 LEU 14 - HE ARG 19 far 0 71 0 - 8.8-11.8 HB2 GLU 17 - HE ARG 19 far 0 100 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 11048 from nnoeabs.peaks (0.81, 7.45, 83.22 ppm; 4.96 A): 2 out of 8 assignments used, quality = 0.99: QG2 ILE 15 + HE ARG 19 OK 98 100 100 98 1.9-5.0 8516/4.8=53, 8514/4.8=49...(11) QG2 ILE 7 + HE ARG 19 OK 28 99 40 70 3.5-6.7 8519/3.6=30, 8245/7.4=25...(6) QD1 ILE 93 - HE ARG 19 far 0 59 0 - 6.3-8.7 QG2 VAL 32 - HE ARG 19 far 0 88 0 - 7.0-11.1 QD1 LEU 6 - HE ARG 19 far 0 61 0 - 8.7-12.7 QD2 LEU 38 - HE ARG 19 far 0 97 0 - 9.1-13.0 QG2 ILE 8 - HE ARG 19 far 0 90 0 - 9.4-12.6 QD2 LEU 57 - HE ARG 19 far 0 98 0 - 9.8-13.0 Violated in 0 structures by 0.00 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 1.9-4.9 8673/3.6=87, 8674/4.8=71...(13) QD1 LEU 29 + HE ARG 19 OK 52 98 55 98 3.6-6.4 10499/3.6=70, ~8522=33...(11) QD1 ILE 7 - HE ARG 19 poor 15 92 25 66 5.1-7.5 10377/7.4=27...(6) QD1 LEU 14 - HE ARG 19 far 0 63 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 11050 from nnoeabs.peaks (4.04, 7.45, 83.22 ppm; 5.89 A): 2 out of 3 assignments used, quality = 1.00: HA GLU 16 + HE ARG 19 OK 100 100 100 100 2.9-5.9 8503/3.6=80, 798/4.8=80...(15) HA LYS 20 + HE ARG 19 OK 38 99 45 85 5.6-8.8 788/4.8=36, 11086/6.5=33...(7) HA GLU 17 - HE ARG 19 far 0 99 0 - 7.3-10.0 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 far 0 59 0 - 5.5-7.9 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 = 0.99: QE TYR 41 + HE ARG 30 OK 92 98 95 98 2.6-5.4 8897/2.9=46, 8906/5.0=41...(13) QD TYR 41 + HE ARG 30 OK 89 95 95 99 2.5-5.5 8710/2.9=39, ~8897=35...(14) Violated in 0 structures by 0.00 A. Peak 11055 from nnoeabs.peaks (1.53, 7.79, 84.20 ppm; 5.14 A): 1 out of 6 assignments used, quality = 1.00: HG3 ARG 30 + HE ARG 30 OK 100 100 100 100 2.1-3.8 4.0=100 HB3 GLU 28 - HE ARG 30 far 3 69 5 - 4.5-9.8 HG LEU 6 - HE ARG 30 far 0 100 0 - 6.0-8.4 HG2 LYS 33 - HE ARG 30 far 0 93 0 - 7.5-13.1 HG3 LYS 33 - HE ARG 30 far 0 85 0 - 7.7-13.1 HB ILE 7 - HE ARG 30 far 0 100 0 - 8.6-11.6 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 2.1-4.0 4.0=100 HB3 LEU 27 - HE ARG 30 far 0 75 0 - 8.3-12.5 HB3 LEU 2 - HE ARG 30 far 0 92 0 - 9.8-15.3 Violated in 0 structures by 0.00 A. Peak 11057 from nnoeabs.peaks (7.80, 7.79, 84.20 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * HE ARG 30 + HE ARG 30 OK 98 98 - 100 Peak 11058 from nnoeabs.peaks (1.72, 5.83, 83.71 ppm; 4.79 A): 1 out of 2 assignments used, quality = 0.99: HD2 ARG 81 + HE ARG 81 OK 99 99 100 100 2.3-2.9 2.9=100 HB3 ARG 91 - HE ARG 81 far 0 67 0 - 7.2-12.0 Violated in 0 structures by 0.00 A. Peak 11059 from nnoeabs.peaks (0.73, 5.83, 83.71 ppm; 5.52 A): 2 out of 13 assignments used, quality = 1.00: HG3 ARG 81 + HE ARG 81 OK 99 99 100 100 2.1-4.0 4.0=100 QD1 LEU 64 + HE ARG 81 OK 44 98 50 89 3.5-6.6 9483/6.3=50, 7318/7.0=43...(6) QG1 VAL 58 - HE ARG 81 far 0 99 0 - 7.0-9.9 QG2 VAL 78 - HE ARG 81 far 0 99 0 - 7.4-11.3 QD1 ILE 56 - HE ARG 81 far 0 88 0 - 8.1-10.7 QD1 ILE 93 - HE ARG 81 far 0 59 0 - 8.3-12.0 QD2 LEU 14 - HE ARG 81 far 0 89 0 - 8.3-12.7 QG1 VAL 5 - HE ARG 81 far 0 100 0 - 8.4-10.6 HG13 ILE 93 - HE ARG 81 far 0 98 0 - 9.2-12.4 QG1 VAL 54 - HE ARG 81 far 0 75 0 - 9.3-12.2 QG1 VAL 78 - HE ARG 81 far 0 96 0 - 9.5-13.0 QD1 ILE 8 - HE ARG 81 far 0 91 0 - 9.8-12.2 QG2 ILE 93 - HE ARG 81 far 0 92 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 11060 from nnoeabs.peaks (0.44, 5.83, 83.71 ppm; 5.65 A): 2 out of 2 assignments used, quality = 1.00: HG2 ARG 81 + HE ARG 81 OK 99 99 100 100 2.2-3.6 4.0=100 QD1 LEU 55 + HE ARG 81 OK 48 100 50 97 3.5-6.9 9253/2.9=70, 9257/6.3=43...(6) 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 5 assignments used, quality = 1.00: HB3 HIS 106 + H HIS 106 OK 99 99 100 100 2.5-3.8 4.0=100 * HB3 HIS 105 + H HIS 106 OK 96 100 100 96 2.6-4.5 4.7=80, 4552/3.6=76, 1.8/4095=22 HB3 ASN 26 - H HIS 106 far 0 100 0 - 5.3-28.9 HD3 ARG 79 - H HIS 106 far 0 99 0 - 8.3-20.4 HD2 ARG 79 - H HIS 106 far 0 100 0 - 9.1-19.4 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 3.1-3.7 8122=74, 99/9178=71...(16) 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 4.4-4.8 10203/3.0=75...(11) Violated in 0 structures by 0.00 A. Peak 11101 from nnoeabs.peaks (5.20, 8.49, 120.76 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.97: HA VAL 78 + H VAL 54 OK 97 100 100 97 2.1-2.7 3.2/6898=56...(10) 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 5.0-5.6 3.9/9242=81...(8) H VAL 5 - H VAL 54 far 0 99 0 - 7.2-7.5 H LEU 57 - H VAL 54 far 0 90 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 11107 from nnoeabs.peaks (9.19, 9.31, 126.92 ppm; 5.25 A): 1 out of 1 assignment used, quality = 1.00: H ILE 56 + H LEU 6 OK 100 100 100 100 4.3-4.5 11108=100, 3.0/8216=92...(17) 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 4.3-4.5 8216/3.0=85, 11107=79...(17) 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 4.9-5.0 3.0/8298=94...(7) 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 = 0.72: HA LYS 33 + H VAL 32 OK 72 75 100 95 4.8-4.9 3.9/10146=62, ~6515=53...(5) HB THR 34 - H VAL 32 far 0 77 0 - 9.6-9.9 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 4.8-5.2 3.0/11101=100...(8) H SER 49 - H VAL 54 far 0 77 0 - 8.0-10.6 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 2.5-3.0 11117=96, 6915/9697=44...(9) Violated in 0 structures by 0.00 A. Peak 11119 from nnoeabs.peaks (9.20, 8.42, 118.08 ppm; 5.54 A): 1 out of 1 assignment used, quality = 0.96: H ILE 56 + H THR 80 OK 96 96 100 100 4.4-4.8 9701/2.9=94...(9) 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 = 0.98: HA LEU 57 + H ARG 81 OK 98 99 100 98 2.8-3.2 9334=55, 6945/10926=48...(17) Violated in 0 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 - 4.4-5.0 HE ARG 30 - H LEU 3 far 0 100 0 - 9.4-14.5 Violated in 20 structures by 1.89 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 - 4.6-5.5 H LYS 53 - H ASN 51 far 0 88 0 - 6.3-6.5 H VAL 54 - H ASN 51 far 0 100 0 - 8.9-9.9 Violated in 20 structures by 1.33 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 - 7.7-8.4 Violated in 20 structures by 3.76 A. Peak 12269 from nnoeabs.peaks (3.00, 7.55, 122.27 ppm; 4.30 A): 1 out of 5 assignments used, quality = 1.00: HB3 ASP 11 + H LEU 14 OK 100 100 100 100 2.3-2.7 1.8/8418=66...(18) HB2 SER 9 - H LEU 14 far 0 100 0 - 5.1-6.6 HE2 LYS 13 - H LEU 14 far 0 61 0 - 5.5-7.5 HE3 LYS 12 - H LEU 14 far 0 71 0 - 6.0-9.2 HE2 LYS 12 - H LEU 14 far 0 99 0 - 6.3-9.4 Violated in 0 structures by 0.00 A. Peak 12276 from nnoeabs.peaks (0.75, 7.84, 122.56 ppm; 4.59 A): 1 out of 8 assignments used, quality = 0.90: QD2 LEU 27 + H LEU 3 OK 90 91 100 99 3.4-4.5 10132/6025=67...(9) QD1 LEU 27 - H LEU 3 far 0 94 0 - 5.1-6.0 QG2 ILE 52 - H LEU 3 far 0 81 0 - 6.4-6.8 QG1 VAL 54 - H LEU 3 far 0 99 0 - 7.5-8.0 QG2 ILE 93 - H LEU 3 far 0 100 0 - 8.2-9.2 QG1 VAL 5 - H LEU 3 far 0 87 0 - 8.9-9.1 QG1 VAL 78 - H LEU 3 far 0 100 0 - 9.0-9.7 QD1 LEU 6 - H LEU 3 far 0 92 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 12286 from nnoeabs.peaks (2.12, 7.80, 119.34 ppm; 4.81 A increased from 4.28 A): 3 out of 6 assignments used, quality = 1.00: HG2 GLU 69 + H LYS 66 OK 96 100 100 96 4.3-5.0 ~2883=36, ~2882=36...(15) HB2 GLU 69 + H LYS 66 OK 96 100 100 96 4.4-4.6 2882/3.0=72...(12) HB2 LEU 64 + H LYS 66 OK 25 100 25 100 5.1-5.3 7049/7064=89...(8) HB3 GLU 62 - H LYS 66 far 0 75 0 - 5.8-6.0 HB3 GLU 69 - H LYS 66 far 0 100 0 - 6.0-6.3 HB3 GLU 35 - H LYS 66 far 0 59 0 - 6.8-8.0 Violated in 0 structures by 0.00 A. Peak 12287 from nnoeabs.peaks (2.26, 7.80, 119.34 ppm; 5.40 A increased from 5.08 A): 2 out of 4 assignments used, quality = 0.96: HG2 GLU 62 + H LYS 66 OK 85 100 95 90 4.0-6.3 4.0/7060=80...(5) HG3 GLU 62 + H LYS 66 OK 70 100 80 88 4.3-6.4 4.0/7060=80...(5) HG2 GLU 63 - H LYS 66 far 0 65 0 - 6.1-7.6 HB3 GLN 72 - H LYS 66 far 0 87 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 12294 from nnoeabs.peaks (4.33, 7.71, 119.26 ppm; 4.87 A increased from 4.33 A): 1 out of 2 assignments used, quality = 0.75: HA ASN 26 + H ALA 25 OK 75 75 100 100 4.4-4.6 3.0/6409=94...(10) HA GLU 28 - H ALA 25 far 0 96 0 - 8.0-8.6 Violated in 0 structures by 0.00 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 2.8-3.4 9585=82, 10280/6696=39...(15) HB2 GLU 44 - H GLU 43 far 0 100 0 - 4.7-5.0 HB2 ARG 46 - H GLU 43 far 0 73 0 - 4.9-6.8 HB3 GLU 44 - H GLU 43 far 0 100 0 - 5.3-5.5 HB2 GLU 37 - H GLU 43 far 0 79 0 - 9.3-9.7 HB2 LYS 47 - H GLU 43 far 0 61 0 - 9.4-9.9 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 = 1.00: HB2 LYS 68 + HE22 GLN 72 OK 99 99 100 100 2.0-4.5 10793/9571=70, ~9563=59...(20) HB3 LYS 68 + HE22 GLN 72 OK 86 87 100 99 3.8-6.1 12167/3.5=51, ~12325=42...(17) HB3 LYS 66 - HE22 GLN 72 far 0 97 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 12339 from nnoeabs.peaks (4.43, 7.47, 116.94 ppm; 5.42 A increased from 5.10 A): 1 out of 4 assignments used, quality = 1.00: HA GLU 48 + H LYS 47 OK 100 100 100 100 5.1-5.4 3.0/6780=99...(6) HA ILE 76 - H LYS 47 far 0 100 0 - 8.0-8.6 HA GLN 50 - H LYS 47 far 0 70 0 - 9.2-10.0 HA MET 74 - H LYS 47 far 0 79 0 - 9.7-11.0 Violated in 0 structures by 0.00 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 3.0-3.0 3.0=100 QE MET 1 + HA MET 1 OK 42 68 70 89 3.3-4.3 3.3/5=46, 37=36...(12) Violated in 0 structures by 0.00 A. Peak 4 from cnoeabs.peaks (2.00, 4.16, 54.51 ppm; 3.52 A): 2 out of 3 assignments used, quality = 1.00: * HB3 MET 1 + HA MET 1 OK 100 100 100 100 2.4-2.6 3.0=100 QE MET 1 + HA MET 1 OK 47 84 60 93 3.3-4.3 37=43, 3.3/5=42...(13) HB2 GLN 50 - HA MET 1 far 0 91 0 - 6.5-9.1 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 2.4-2.6 4.2=91, 3.3/37=51...(7) HB3 GLN 50 - HA MET 1 far 0 87 0 - 6.2-7.5 Violated in 0 structures by 0.00 A. Peak 6 from cnoeabs.peaks (2.42, 4.16, 54.51 ppm; 4.48 A): 1 out of 4 assignments used, quality = 1.00: * HG3 MET 1 + HA MET 1 OK 100 100 100 100 3.6-3.8 4.2=100 HG2 GLN 50 - HA MET 1 far 0 94 0 - 6.3-9.3 HG3 GLN 50 - HA MET 1 far 0 98 0 - 6.6-10.0 HG3 GLU 48 - HA MET 1 far 0 99 0 - 7.1-8.0 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 = 0.97: HB3 MET 1 + HA MET 1 OK 84 84 100 100 2.4-2.6 3.0=100 HB2 MET 1 + HA MET 1 OK 68 68 100 100 3.0-3.0 3.0=100 * QE MET 1 + HA MET 1 OK 47 100 50 95 3.3-4.3 37=52, 3.3/5=41...(13) 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 2.2-2.3 3.6=94, 3.0/8002=28...(15) H ASN 51 - HA MET 1 far 0 85 0 - 5.2-6.1 H GLN 50 - HA MET 1 far 0 59 0 - 7.7-9.0 Violated in 0 structures by 0.00 A. Peak 9 from cnoeabs.peaks (4.16, 1.94, 32.61 ppm; 3.08 A): 5 out of 14 assignments used, quality = 1.00: * HA MET 1 + HB2 MET 1 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 47 + HB3 LYS 47 OK 70 70 100 100 3.0-3.0 3.0=100 HA LYS 73 + HB3 LYS 73 OK 54 54 100 100 2.3-2.6 3.0=100 HA LYS 73 + HB2 LYS 73 OK 53 53 100 100 2.5-3.0 3.0=100 HA LYS 47 + HB2 LYS 47 OK 50 50 100 100 2.4-2.5 3.0=100 HA GLN 72 - HB2 LYS 73 far 0 57 0 - 5.7-5.9 HA GLN 72 - HB3 LYS 73 far 0 59 0 - 6.6-6.6 HA GLU 98 - HB2 LYS 94 far 0 28 0 - 6.8-8.8 HA GLU 23 - HB3 LYS 20 far 0 53 0 - 7.4-8.3 HA GLU 104 - HB2 MET 1 far 0 75 0 - 7.9-17.2 HA GLU 98 - HB2 MET 1 far 0 77 0 - 8.6-10.3 HA LYS 13 - HB3 LYS 20 far 0 55 0 - 8.6-10.5 HA GLU 99 - HB2 MET 1 far 0 70 0 - 9.2-11.3 HA GLU 99 - HB2 LYS 94 far 0 25 0 - 9.5-10.6 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 29 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 0 84 0 - 4.1-4.3 QE MET 74 - HB2 LYS 73 far 0 58 0 - 4.7-7.3 HB3 MET 74 - HB2 LYS 73 far 0 26 0 - 4.8-6.3 HB2 LYS 24 - HB3 LYS 20 far 0 25 0 - 5.0-7.0 HB3 MET 74 - HB3 LYS 73 far 0 27 0 - 5.6-6.4 QE MET 74 - HB3 LYS 73 far 0 59 0 - 5.7-7.3 HB2 ARG 46 - HB3 LYS 47 far 0 54 0 - 5.8-6.8 HB3 GLU 44 - HB3 LYS 47 far 0 76 0 - 5.9-6.4 HB3 GLU 17 - HB3 LYS 20 far 0 55 0 - 5.9-8.1 HB2 ARG 46 - HB2 LYS 47 far 0 37 0 - 6.0-7.4 HB2 GLU 44 - HB3 LYS 47 far 0 76 0 - 6.0-6.6 HB3 LYS 24 - HB3 LYS 20 far 0 25 0 - 6.6-8.1 HB3 GLU 44 - HB2 LYS 47 far 0 54 0 - 7.0-7.3 HG12 ILE 93 - HB2 LYS 94 far 0 24 0 - 7.3-8.4 HB2 GLU 44 - HB2 LYS 47 far 0 54 0 - 7.4-7.8 HB2 GLN 50 - HB2 LYS 47 far 0 44 0 - 7.8-10.1 HB2 GLN 50 - HB3 LYS 47 far 0 63 0 - 8.0-10.2 HG12 ILE 93 - HB3 LYS 20 far 0 31 0 - 8.5-10.6 HB3 GLU 99 - HB2 MET 1 far 0 68 0 - 8.6-11.9 QE MET 74 - HB3 LYS 47 far 0 76 0 - 8.7-9.6 HB3 GLU 99 - HB2 LYS 94 far 0 24 0 - 9.1-11.3 HB2 ARG 46 - HB2 LYS 73 far 0 40 0 - 9.1-13.4 HB3 LYS 94 - HB3 LYS 20 far 0 46 0 - 9.3-10.6 QE MET 74 - HB2 LYS 47 far 0 54 0 - 9.3-10.2 HB2 GLN 50 - HB2 MET 1 far 0 91 0 - 9.4-12.1 HB2 ARG 46 - HB3 LYS 73 far 0 41 0 - 9.9-12.9 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 27 assignments used, quality = 1.00: * HG2 MET 1 + HB2 MET 1 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 GLN 72 - HB2 LYS 73 far 0 32 0 - 4.2-5.7 HB3 GLN 72 - HB2 LYS 73 far 0 30 0 - 4.3-5.3 HB2 GLU 95 - HB2 LYS 94 far 0 44 0 - 4.5-6.8 HB3 GLU 16 - HB3 LYS 20 far 0 33 0 - 4.7-8.5 HG2 GLU 98 - HB2 LYS 94 far 0 38 0 - 5.2-7.5 HB2 GLN 72 - HB3 LYS 73 far 0 33 0 - 5.5-6.2 HB3 GLN 72 - HB3 LYS 73 far 0 31 0 - 5.8-6.3 HG3 GLU 75 - HB3 LYS 73 far 0 45 0 - 5.8-8.2 HG2 GLU 75 - HB3 LYS 73 far 0 43 0 - 6.0-8.1 HG3 GLU 75 - HB2 LYS 73 far 0 44 0 - 6.1-8.7 HG2 GLU 75 - HB2 LYS 73 far 0 42 0 - 6.3-9.0 HB3 GLU 75 - HB3 LYS 73 far 0 57 0 - 7.6-8.3 HB3 GLU 75 - HB2 LYS 73 far 0 56 0 - 7.7-8.8 HB3 GLN 50 - HB3 LYS 47 far 0 60 0 - 7.9-8.8 HB3 GLN 50 - HB2 LYS 47 far 0 41 0 - 7.9-8.8 HG2 GLU 99 - HB2 LYS 94 far 0 34 0 - 8.1-10.4 HG3 GLU 35 - HB2 LYS 73 far 0 58 0 - 8.4-10.5 HG2 GLU 35 - HB2 LYS 73 far 0 58 0 - 8.4-10.6 HG2 GLU 43 - HB2 LYS 73 far 0 55 0 - 9.0-12.9 HB3 GLN 50 - HB2 MET 1 far 0 87 0 - 9.2-10.5 HG2 GLU 43 - HB3 LYS 47 far 0 73 0 - 9.3-10.4 HG3 GLU 35 - HB3 LYS 73 far 0 59 0 - 9.5-11.3 HG2 GLU 35 - HB3 LYS 73 far 0 59 0 - 9.6-11.2 HG3 PRO 86 - HB3 LYS 20 far 0 55 0 - 9.7-12.5 HG2 GLU 43 - HB3 LYS 73 far 0 56 0 - 9.8-12.7 HG2 GLU 43 - HB2 LYS 47 far 0 52 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 13 from cnoeabs.peaks (2.42, 1.94, 32.61 ppm; 3.76 A): 1 out of 19 assignments used, quality = 1.00: * HG3 MET 1 + HB2 MET 1 OK 100 100 100 100 2.2-2.3 3.0=100 HG3 MET 21 - HB3 LYS 20 far 2 48 5 - 4.0-5.2 HG3 GLU 48 - HB3 LYS 47 far 0 73 0 - 4.6-5.7 HB3 MET 21 - HB2 LYS 94 far 0 37 0 - 4.9-6.7 HG3 GLU 17 - HB3 LYS 20 far 0 53 0 - 5.1-8.9 HB3 MET 21 - HB3 LYS 20 far 0 47 0 - 5.4-6.5 HG3 GLU 48 - HB2 LYS 47 far 0 51 0 - 5.5-6.4 HG3 MET 21 - HB2 LYS 94 far 0 38 0 - 5.6-7.4 HG2 GLN 72 - HB2 LYS 73 far 0 57 0 - 6.7-7.5 HG2 GLN 50 - HB2 LYS 47 far 0 47 0 - 6.8-11.3 HG2 GLN 50 - HB3 LYS 47 far 0 67 0 - 6.9-10.7 HG3 GLN 50 - HB2 LYS 47 far 0 50 0 - 7.3-11.3 HG3 GLN 50 - HB3 LYS 47 far 0 71 0 - 7.5-10.9 HG2 GLN 72 - HB3 LYS 73 far 0 58 0 - 7.9-8.3 HG3 GLU 99 - HB2 LYS 94 far 0 36 0 - 8.2-10.6 HG3 GLU 99 - HB2 MET 1 far 0 92 0 - 9.0-13.2 HG2 GLN 50 - HB2 MET 1 far 0 94 0 - 9.2-12.3 HG3 GLN 50 - HB2 MET 1 far 0 98 0 - 9.4-12.9 HG3 GLU 48 - HB2 MET 1 far 0 99 0 - 9.6-10.4 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 7 assignments used, quality = 1.00: * H LEU 2 + HB2 MET 1 OK 100 100 100 100 3.6-4.1 4.6=100 H GLN 50 - HB3 LYS 47 far 0 38 0 - 6.7-7.2 H GLN 50 - HB2 LYS 47 far 0 26 0 - 6.8-8.0 H ASN 51 - HB2 MET 1 far 0 85 0 - 8.0-8.9 H ASN 51 - HB3 LYS 47 far 0 58 0 - 8.2-8.5 H ASN 51 - HB2 LYS 47 far 0 40 0 - 8.7-9.2 H ALA 67 - HB2 LYS 73 far 0 39 0 - 9.8-10.4 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 5 assignments used, quality = 1.00: * HA MET 1 + HB3 MET 1 OK 100 100 100 100 2.4-2.6 3.0=100 HA GLU 98 - HB3 LYS 94 far 0 27 0 - 7.5-9.2 HA GLU 104 - HB3 MET 1 far 0 75 0 - 8.8-16.7 HA GLU 99 - HB3 MET 1 far 0 70 0 - 9.5-11.6 HA GLU 98 - HB3 MET 1 far 0 77 0 - 9.7-11.4 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 7 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 0 68 0 - 3.1-4.0 HB3 LYS 24 - HB3 LYS 94 far 0 34 0 - 5.7-7.6 HB2 LYS 24 - HB3 LYS 94 far 0 34 0 - 6.0-7.2 HB2 GLU 17 - HB3 LYS 94 far 0 43 0 - 9.0-10.4 HB3 LYS 20 - HB3 LYS 94 far 0 42 0 - 9.3-10.6 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 2.7-3.0 3.0=100 HB2 GLU 95 - HB3 LYS 94 far 0 42 0 - 4.7-7.3 HG2 GLU 98 - HB3 LYS 94 far 0 37 0 - 6.0-8.3 HB3 GLN 50 - HB3 MET 1 far 0 87 0 - 8.4-9.7 HG2 GLU 99 - HB3 LYS 94 far 0 33 0 - 8.7-11.3 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 2.7-2.9 3.0=100 HB3 MET 21 - HB3 LYS 94 far 0 36 0 - 4.5-5.4 HG3 MET 21 - HB3 LYS 94 far 0 37 0 - 5.0-6.2 HG3 GLN 50 - HB3 MET 1 far 0 98 0 - 8.0-12.1 HG2 GLN 50 - HB3 MET 1 far 0 94 0 - 8.1-11.6 HG3 GLU 99 - HB3 LYS 94 far 0 35 0 - 9.3-11.2 HG3 GLU 48 - HB3 MET 1 far 0 99 0 - 9.6-10.4 HG3 GLU 99 - HB3 MET 1 far 0 92 0 - 9.7-13.5 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 2 assignments used, quality = 1.00: * H LEU 2 + HB3 MET 1 OK 100 100 100 100 3.9-4.2 4.6=100 H ASN 51 - HB3 MET 1 far 0 85 0 - 7.3-8.2 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 2.4-2.6 4.2=100 HA GLU 99 - HG2 MET 1 far 0 70 0 - 9.5-11.1 HA GLU 98 - HG2 MET 1 far 0 77 0 - 9.5-11.4 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 2.7-3.0 3.0=100 QE MET 1 + HG2 MET 1 OK 68 68 100 100 2.0-2.5 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 2.7-3.0 3.0=100 QE MET 1 + HG2 MET 1 OK 82 84 100 98 2.0-2.5 3.3=86, 32/1.8=30...(14) HB2 GLN 50 - HG2 MET 1 far 0 91 0 - 7.7-10.2 HB3 GLU 99 - HG2 MET 1 far 0 68 0 - 8.2-11.7 Violated in 0 structures by 0.00 A. Peak 26 from cnoeabs.peaks (2.20, 2.20, 30.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 1 + HG2 MET 1 OK 100 100 - 100 Peak 27 from cnoeabs.peaks (2.42, 2.20, 30.51 ppm; 2.70 A): 1 out of 5 assignments used, quality = 1.00: * HG3 MET 1 + HG2 MET 1 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 50 - HG2 MET 1 far 0 94 0 - 7.5-10.6 HG3 GLN 50 - HG2 MET 1 far 0 98 0 - 8.1-10.9 HG3 GLU 48 - HG2 MET 1 far 0 99 0 - 8.3-9.0 HG3 GLU 99 - HG2 MET 1 far 0 92 0 - 8.4-12.8 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 2.0-2.5 3.3=87, 35/1.8=27...(14) HB3 MET 1 + HG2 MET 1 OK 84 84 100 100 2.7-3.0 3.0=100 HB2 MET 1 + HG2 MET 1 OK 68 68 100 100 2.7-3.0 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 1.9-2.2 6006=100, 8/5=75...(9) H ASN 51 - HG2 MET 1 far 0 85 0 - 5.8-6.7 H GLN 50 - HG2 MET 1 far 0 59 0 - 8.3-9.6 H VAL 54 - HG2 MET 1 far 0 93 0 - 8.6-9.3 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 4 assignments used, quality = 1.00: * HA MET 1 + HG3 MET 1 OK 100 100 100 100 3.6-3.8 4.2=100 HA GLU 99 - HG3 MET 1 far 0 70 0 - 7.9-10.0 HA GLU 98 - HG3 MET 1 far 0 77 0 - 8.0-9.8 HA GLU 104 - HG3 MET 1 far 0 75 0 - 9.2-15.5 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 2.2-2.3 3.0=100 QE MET 1 + HG3 MET 1 OK 67 68 100 100 2.4-3.2 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 2.7-2.9 3.0=100 QE MET 1 + HG3 MET 1 OK 84 84 100 100 2.4-3.2 3.3=97, 25/1.8=33...(15) HB3 GLU 99 - HG3 MET 1 far 0 68 0 - 6.9-10.4 HB2 GLN 50 - HG3 MET 1 far 0 91 0 - 9.5-11.9 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 HG2 GLU 99 - HG3 MET 1 far 0 88 0 - 8.5-11.5 HB3 GLN 50 - HG3 MET 1 far 0 87 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 34 from cnoeabs.peaks (2.42, 2.42, 30.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 1 + HG3 MET 1 OK 100 100 - 100 Peak 35 from cnoeabs.peaks (1.98, 2.42, 30.51 ppm; 3.23 A): 3 out of 3 assignments used, quality = 1.00: * QE MET 1 + HG3 MET 1 OK 99 100 100 99 2.4-3.2 3.3=91, 8026/8022=30...(15) HB3 MET 1 + HG3 MET 1 OK 84 84 100 100 2.7-2.9 3.0=100 HB2 MET 1 + HG3 MET 1 OK 68 68 100 100 2.2-2.3 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): 1 out of 3 assignments used, quality = 1.00: * H LEU 2 + HG3 MET 1 OK 100 100 100 100 3.1-3.9 6007=91, 6006/1.8=88...(8) H ASN 51 - HG3 MET 1 far 0 85 0 - 7.5-8.4 H VAL 54 - HG3 MET 1 far 0 93 0 - 9.1-9.9 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 3.3-4.3 5/3.3=63, 5.3=54...(14) HA GLU 104 - QE MET 1 far 0 75 0 - 6.8-11.5 HA GLU 99 - QE MET 1 far 0 70 0 - 7.1-8.4 HA GLU 98 - QE MET 1 far 0 77 0 - 7.9-9.6 Violated in 0 structures by 0.00 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 3 assignments used, quality = 1.00: * HG2 MET 1 + QE MET 1 OK 100 100 100 100 2.0-2.5 3.3=100 HB3 GLN 50 - QE MET 1 far 0 87 0 - 6.4-7.3 HG2 GLU 99 - QE MET 1 far 0 88 0 - 7.4-10.1 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 2.4-3.2 3.3=100 HG2 GLN 50 - QE MET 1 far 0 94 0 - 5.7-9.0 HG3 GLU 99 - QE MET 1 far 0 92 0 - 6.0-10.2 HG3 GLN 50 - QE MET 1 far 0 98 0 - 6.3-9.0 HG3 GLU 48 - QE MET 1 far 0 99 0 - 8.0-9.1 Violated in 0 structures by 0.00 A. Peak 42 from cnoeabs.peaks (1.98, 1.98, 16.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 1 + QE MET 1 OK 100 100 - 100 Peak 43 from cnoeabs.peaks (8.51, 1.98, 16.19 ppm; 4.90 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 2 + QE MET 1 OK 99 100 100 99 3.1-4.0 8/37=70, 6006/3.3=63...(13) H ASN 51 + QE MET 1 OK 47 85 55 99 4.9-5.4 3.0/8032=81, 4.0/8030=65...(11) H VAL 54 - QE MET 1 far 0 93 0 - 6.4-7.5 H GLN 50 - QE MET 1 far 0 59 0 - 6.7-7.7 H ARG 79 - QE MET 1 far 0 99 0 - 8.4-9.4 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 2.9-2.9 3.0=100 H ASN 51 - HA LEU 2 far 0 85 0 - 6.9-7.5 H GLN 50 - HA LEU 2 far 0 59 0 - 8.9-10.0 H VAL 54 - HA LEU 2 far 0 93 0 - 9.1-9.5 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 3 assignments used, quality = 1.00: * HB2 LEU 2 + HA LEU 2 OK 100 100 100 100 2.9-3.0 3.0=100 HB ILE 52 - HA LEU 2 far 0 75 0 - 5.6-6.4 HB3 LYS 53 - HA LEU 2 far 0 96 0 - 6.5-7.2 Violated in 0 structures by 0.00 A. Peak 47 from cnoeabs.peaks (1.33, 4.46, 54.47 ppm; 3.58 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 2 + HA LEU 2 OK 100 100 100 100 2.2-2.3 3.0=100 HG LEU 3 - HA LEU 2 far 0 70 0 - 4.0-4.3 HB3 LEU 27 - HA LEU 2 far 0 99 0 - 6.4-7.8 QB ALA 25 - HA LEU 2 far 0 100 0 - 8.8-9.7 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 2.8-3.5 3.7=100 HB2 LEU 3 + HA LEU 2 OK 54 61 90 97 4.3-4.4 6021/6018=64...(9) HD3 LYS 53 - HA LEU 2 far 0 63 0 - 7.9-9.2 HB3 LEU 103 - HA LEU 2 far 0 99 0 - 9.9-19.1 Violated in 0 structures by 0.00 A. Peak 49 from cnoeabs.peaks (0.81, 4.46, 54.47 ppm; 3.74 A increased from 3.33 A): 1 out of 3 assignments used, quality = 0.98: * QD2 LEU 2 + HA LEU 2 OK 98 100 100 98 2.4-3.6 4.0=82, 6022/6018=41...(11) QG2 ILE 52 - HA LEU 2 far 0 77 0 - 6.5-6.7 QD2 LEU 103 - HA LEU 2 far 0 94 0 - 9.1-14.5 Violated in 0 structures by 0.00 A. Peak 50 from cnoeabs.peaks (0.88, 4.46, 54.47 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 2 + HA LEU 2 OK 100 100 100 100 3.8-4.1 4.0=100 QD1 LEU 103 - HA LEU 2 far 0 94 0 - 8.7-15.7 QG2 ILE 76 - HA LEU 2 far 0 100 0 - 9.2-10.1 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 1 assignment used, quality = 1.00: * H LEU 3 + HA LEU 2 OK 100 100 100 100 2.2-2.3 6018=100, 67/3.0=33...(10) Violated in 0 structures by 0.00 A. Peak 52 from cnoeabs.peaks (8.51, 1.70, 43.59 ppm; 4.57 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 2 + HB2 LEU 2 OK 100 100 100 100 2.8-3.1 4.0=100 H ASN 51 + HB2 LEU 2 OK 32 85 65 58 4.6-5.4 84/3.1=21, 76/3.1=20...(7) H GLN 50 - HB2 LEU 2 far 0 59 0 - 6.6-7.6 H VAL 54 - HB2 LEU 2 far 0 93 0 - 7.1-7.8 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 3 assignments used, quality = 1.00: * HA LEU 2 + HB2 LEU 2 OK 100 100 100 100 2.9-3.0 3.0=100 HA GLU 48 - HB2 LEU 2 far 0 68 0 - 5.5-7.8 HA ILE 76 - HB2 LEU 2 far 0 68 0 - 9.9-11.0 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 3 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 - 4.9-5.3 HB3 LEU 27 - HB2 LEU 2 far 0 99 0 - 7.7-9.0 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 2.4-2.9 3.0=100 HB2 LEU 3 - HB2 LEU 2 far 0 61 0 - 5.8-6.1 HD3 LYS 53 - HB2 LEU 2 far 0 63 0 - 7.4-8.4 HG2 LYS 47 - HB2 LEU 2 far 0 87 0 - 9.5-10.9 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 5 assignments used, quality = 1.00: * QD2 LEU 2 + HB2 LEU 2 OK 100 100 100 100 2.7-3.2 3.1=100 QG2 ILE 52 - HB2 LEU 2 far 0 77 0 - 4.1-4.3 QD1 ILE 76 - HB2 LEU 2 far 0 99 0 - 8.8-10.0 QD2 LEU 103 - HB2 LEU 2 far 0 94 0 - 9.3-14.7 QD1 LEU 6 - HB2 LEU 2 far 0 61 0 - 9.6-10.5 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 3 assignments used, quality = 1.00: * QD1 LEU 2 + HB2 LEU 2 OK 100 100 100 100 1.9-2.3 3.1=100 QG2 ILE 76 - HB2 LEU 2 far 0 100 0 - 7.0-7.8 QD1 LEU 103 - HB2 LEU 2 far 0 94 0 - 9.1-16.1 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 3.4-3.9 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 3.7-3.9 4.0=100 H ASN 51 - HB3 LEU 2 far 0 85 0 - 6.0-6.6 H GLN 50 - HB3 LEU 2 far 0 59 0 - 7.6-8.7 H VAL 54 - HB3 LEU 2 far 0 93 0 - 8.4-8.9 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 2.2-2.3 3.0=100 HA GLU 48 - HB3 LEU 2 far 0 68 0 - 6.1-8.2 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 4 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 - 4.0-4.8 HB3 LYS 53 - HB3 LEU 2 far 0 96 0 - 6.8-7.6 HD3 LYS 47 - HB3 LEU 2 far 0 92 0 - 9.5-12.3 Violated in 0 structures by 0.00 A. Peak 63 from cnoeabs.peaks (1.33, 1.33, 43.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 2 + HB3 LEU 2 OK 100 100 - 100 Peak 64 from cnoeabs.peaks (1.51, 1.33, 43.59 ppm; 3.25 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 2 + HB3 LEU 2 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 LEU 3 - HB3 LEU 2 far 0 61 0 - 5.6-5.9 HD3 LYS 53 - HB3 LEU 2 far 0 63 0 - 8.8-9.8 HG2 LYS 47 - HB3 LEU 2 far 0 87 0 - 9.4-11.2 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 3 assignments used, quality = 1.00: * QD2 LEU 2 + HB3 LEU 2 OK 100 100 100 100 1.9-2.4 3.1=100 QG2 ILE 52 - HB3 LEU 2 far 0 77 0 - 5.2-5.6 QD1 ILE 76 - HB3 LEU 2 far 0 99 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 66 from cnoeabs.peaks (0.88, 1.33, 43.59 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 2 + HB3 LEU 2 OK 100 100 100 100 2.4-3.1 3.1=100 QG2 ILE 76 - HB3 LEU 2 far 0 100 0 - 8.0-8.9 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 2.9-3.2 6018/3.0=79, 4.6=69...(7) 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 16 assignments used, quality = 1.00: * H LEU 2 + HG LEU 2 OK 99 100 100 99 2.1-2.9 6012=88, ~49=39...(9) H THR 31 + HG3 ARG 30 OK 51 51 100 100 3.4-4.3 6496=70, 6493/2.9=67...(10) H ARG 79 + HG3 ARG 79 OK 28 79 35 100 2.6-4.6 4.7=69, 7289/3.0=64...(17) H ASN 51 + HG LEU 2 OK 20 85 35 68 3.8-5.1 5.7/9125=24, 84/2.1=21...(7) H ARG 79 - HG2 ARG 79 far 4 81 5 - 3.9-4.8 H GLN 50 - HG LEU 2 far 0 59 0 - 5.6-7.3 H VAL 54 - HG3 ARG 79 far 0 71 0 - 5.9-8.5 H THR 31 - HG LEU 6 far 0 82 0 - 6.0-6.6 H VAL 32 - HG LEU 6 far 0 62 0 - 6.8-7.2 H VAL 54 - HG2 ARG 79 far 0 74 0 - 6.9-8.2 H VAL 54 - HG LEU 6 far 0 76 0 - 7.1-7.8 H VAL 32 - HG3 ARG 30 far 0 37 0 - 7.4-8.2 H ARG 79 - HG LEU 6 far 0 84 0 - 8.1-8.6 H VAL 58 - HG3 ARG 79 far 0 52 0 - 8.2-11.0 H VAL 58 - HG2 ARG 79 far 0 54 0 - 9.0-10.9 H VAL 54 - HG LEU 2 far 0 93 0 - 9.1-10.5 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 2 assignments used, quality = 1.00: * HA LEU 2 + HG LEU 2 OK 100 100 100 100 2.8-3.5 3.7=100 HA GLU 48 - HG LEU 2 far 0 68 0 - 5.8-7.2 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 9 assignments used, quality = 1.00: * HB2 LEU 2 + HG LEU 2 OK 100 100 100 100 2.4-2.9 3.0=100 HB ILE 52 - HG LEU 2 far 0 75 0 - 3.6-5.1 HD2 ARG 81 - HG3 ARG 79 far 0 65 0 - 4.8-8.1 HD2 ARG 81 - HG2 ARG 79 far 0 67 0 - 5.3-8.3 HB3 LYS 53 - HG LEU 2 far 0 96 0 - 7.1-8.7 HB3 LYS 53 - HG2 ARG 79 far 0 77 0 - 7.2-8.5 HB3 LYS 53 - HG3 ARG 79 far 0 75 0 - 7.3-9.1 HB3 LYS 40 - HG3 ARG 30 far 0 47 0 - 9.1-11.5 HB3 LYS 53 - HG LEU 6 far 0 79 0 - 9.5-10.3 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 22 assignments used, quality = 1.00: * HB3 LEU 2 + HG LEU 2 OK 99 100 100 99 2.7-3.0 3.0=99 HB3 ARG 30 + HG3 ARG 30 OK 27 27 100 100 2.4-3.0 2.9=100 HB3 ARG 30 + HG LEU 6 OK 26 47 75 74 2.9-3.6 ~8717=25, 630/2.1=20...(11) HG2 ARG 30 + HG3 ARG 30 OK 26 26 100 100 1.8-1.8 1.8=100 HG2 ARG 30 - HG LEU 6 far 0 45 0 - 4.7-5.3 HG LEU 3 - HG LEU 2 far 0 70 0 - 5.8-6.4 HG3 LYS 40 - HG3 ARG 30 far 0 40 0 - 6.2-8.8 HG12 ILE 8 - HG LEU 6 far 0 60 0 - 6.8-6.9 QB ALA 67 - HG3 ARG 79 far 0 82 0 - 6.9-8.8 QB ALA 67 - HG LEU 6 far 0 86 0 - 7.2-7.6 HB3 LEU 42 - HG LEU 6 far 0 60 0 - 8.1-8.5 HG3 LYS 40 - HG LEU 6 far 0 67 0 - 8.2-9.3 QB ALA 67 - HG2 ARG 79 far 0 84 0 - 8.2-9.7 HB3 LEU 27 - HG LEU 6 far 0 83 0 - 8.7-9.4 HB3 LEU 27 - HG3 ARG 30 far 0 52 0 - 8.7-10.7 HB3 LEU 27 - HG LEU 2 far 0 99 0 - 9.5-10.6 HG12 ILE 8 - HG3 ARG 30 far 0 36 0 - 9.6-10.6 HB2 LYS 82 - HG3 ARG 79 far 0 79 0 - 9.8-11.7 QB ALA 89 - HG3 ARG 79 far 0 81 0 - 9.8-12.2 QB ALA 89 - HG LEU 6 far 0 86 0 - 9.8-10.3 QB ALA 89 - HG2 ARG 79 far 0 83 0 - 9.9-11.3 HB2 LEU 70 - HG LEU 6 far 0 50 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 72 from cnoeabs.peaks (1.51, 1.51, 26.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG LEU 2 + HG LEU 2 OK 100 100 - 100 HG LEU 6 + HG LEU 6 OK 84 84 - 100 HG2 ARG 79 + HG2 ARG 79 OK 74 74 - 100 HG3 ARG 79 + HG3 ARG 79 OK 70 70 - 100 HG3 ARG 30 + HG3 ARG 30 OK 50 50 - 100 Peak 73 from cnoeabs.peaks (0.81, 1.51, 26.80 ppm; 2.97 A): 2 out of 40 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 0 81 0 - 4.1-4.7 QG2 VAL 32 - HG LEU 6 far 0 71 0 - 4.1-4.2 QD2 LEU 57 - HG3 ARG 79 far 0 77 0 - 4.2-7.6 QD2 LEU 57 - HG2 ARG 79 far 0 79 0 - 4.5-7.2 QD1 LEU 6 - HG3 ARG 30 far 0 27 0 - 4.9-6.3 QG2 ILE 52 - HG LEU 2 far 0 77 0 - 5.0-6.2 QG2 VAL 32 - HG3 ARG 30 far 0 43 0 - 5.3-6.3 QD2 LEU 103 - HG2 ARG 79 far 0 75 0 - 5.8-14.8 QD2 LEU 57 - HG LEU 6 far 0 82 0 - 6.0-7.3 QG2 ILE 7 - HG LEU 6 far 0 84 0 - 6.3-6.6 QD1 LEU 57 - HG3 ARG 79 far 0 71 0 - 6.5-8.7 QD1 LEU 57 - HG2 ARG 79 far 0 74 0 - 6.5-7.8 QD2 LEU 103 - HG3 ARG 79 far 0 73 0 - 6.6-15.7 QD2 LEU 38 - HG3 ARG 30 far 0 50 0 - 6.7-8.3 QG2 ILE 7 - HG3 ARG 30 far 0 52 0 - 6.8-7.6 QD1 LEU 6 - HG3 ARG 79 far 0 44 0 - 7.5-10.4 QD1 ILE 76 - HG LEU 6 far 0 85 0 - 7.6-8.1 QG2 ILE 15 - HG3 ARG 30 far 0 55 0 - 7.8-9.1 QG2 ILE 52 - HG LEU 6 far 0 60 0 - 8.0-8.7 QG2 ILE 8 - HG LEU 6 far 0 72 0 - 8.2-8.8 QD1 ILE 93 - HG LEU 6 far 0 45 0 - 8.4-9.3 QD2 LEU 38 - HG3 ARG 79 far 0 76 0 - 8.4-11.1 QD1 LEU 57 - HG LEU 6 far 0 76 0 - 8.5-9.5 QD1 LEU 70 - HG LEU 6 far 0 85 0 - 8.5-9.7 QG2 ILE 15 - HG LEU 6 far 0 87 0 - 8.8-9.7 QD1 LEU 6 - HG2 ARG 79 far 0 45 0 - 8.9-10.7 QD2 LEU 103 - HG LEU 2 far 0 94 0 - 9.0-15.6 QD1 ILE 93 - HG3 ARG 30 far 0 26 0 - 9.0-11.1 QG2 ILE 52 - HG3 ARG 79 far 0 57 0 - 9.1-11.4 QD2 LEU 57 - HG3 ARG 30 far 0 51 0 - 9.2-11.5 QD1 ILE 93 - HG3 ARG 79 far 0 42 0 - 9.4-11.9 QD1 ILE 76 - HG3 ARG 30 far 0 53 0 - 9.5-11.5 QD1 ILE 93 - HG2 ARG 79 far 0 44 0 - 9.6-11.0 QD1 ILE 76 - HG3 ARG 79 far 0 80 0 - 9.7-11.7 QG2 ILE 52 - HG3 ARG 30 far 0 36 0 - 9.8-11.7 QG2 ILE 52 - HG2 ARG 79 far 0 58 0 - 9.8-11.4 QD2 LEU 38 - HG2 ARG 79 far 0 78 0 - 9.9-11.6 QG2 VAL 32 - HG3 ARG 79 far 0 67 0 - 10.0-13.1 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 19 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 - 3.4-16.1 QD1 LEU 103 - HG3 ARG 79 far 0 73 0 - 4.5-16.9 QD1 LEU 38 - HG LEU 6 far 0 72 0 - 4.7-5.2 QG1 VAL 32 - HG LEU 6 far 0 68 0 - 6.5-6.7 HG13 ILE 8 - HG LEU 6 far 0 86 0 - 7.1-8.0 QG2 ILE 76 - HG LEU 6 far 0 87 0 - 7.4-7.9 QD1 LEU 38 - HG3 ARG 30 far 0 44 0 - 7.5-9.1 QG1 VAL 32 - HG3 ARG 30 far 0 41 0 - 7.7-8.8 QD2 LEU 64 - HG3 ARG 79 far 0 70 0 - 7.9-9.2 QD1 LEU 103 - HG LEU 2 far 0 94 0 - 8.1-16.3 QD1 LEU 38 - HG3 ARG 79 far 0 68 0 - 8.3-10.7 QG2 ILE 76 - HG LEU 2 far 0 100 0 - 8.4-10.0 QG2 ILE 76 - HG3 ARG 79 far 0 82 0 - 8.4-9.8 QD2 LEU 64 - HG2 ARG 79 far 0 72 0 - 8.9-9.9 HG13 ILE 7 - HG LEU 6 far 0 83 0 - 9.1-9.4 QG2 ILE 76 - HG2 ARG 79 far 0 84 0 - 9.5-10.1 QD1 LEU 38 - HG2 ARG 79 far 0 70 0 - 9.8-11.4 QG2 ILE 76 - HG3 ARG 30 far 0 55 0 - 9.8-11.8 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 4.9-5.2 6018/3.7=91, 6022/2.1=87...(7) H TYR 41 - HG3 ARG 30 far 0 45 0 - 6.4-8.5 H TYR 41 - HG LEU 6 far 0 73 0 - 6.8-7.1 Violated in 2 structures by 0.00 A. Peak 76 from cnoeabs.peaks (8.51, 0.81, 23.49 ppm; 5.29 A): 3 out of 8 assignments used, quality = 1.00: * H LEU 2 + QD2 LEU 2 OK 100 100 100 100 2.8-4.2 4.7=100 H ASN 51 + QD2 LEU 2 OK 83 85 100 97 4.4-5.2 4.0/9116=58, 5.7/9127=40...(16) H GLN 50 + QD2 LEU 2 OK 30 59 65 78 5.3-7.0 5.1/9098=34, 84/2.1=21...(12) H LEU 2 - QD2 LEU 103 far 0 57 0 - 7.1-13.9 H ASN 51 - QD2 LEU 103 far 0 43 0 - 8.2-16.1 H VAL 54 - QD2 LEU 2 far 0 93 0 - 8.6-9.6 H ARG 79 - QD2 LEU 103 far 0 55 0 - 9.7-15.5 H GLN 50 - QD2 LEU 103 far 0 27 0 - 9.9-18.0 Violated in 0 structures by 0.00 A. Peak 77 from cnoeabs.peaks (4.46, 0.81, 23.49 ppm; 3.58 A increased from 3.19 A): 2 out of 5 assignments used, quality = 0.99: * HA LEU 2 + QD2 LEU 2 OK 98 100 100 98 2.4-3.6 49=88, 6018/6022=37...(10) HA GLU 48 + QD2 LEU 2 OK 30 68 50 90 3.3-6.2 3.0/8057=25, 4.1/9043=25...(15) HA LEU 2 - QD2 LEU 103 far 0 57 0 - 9.1-14.5 HA ILE 76 - QD2 LEU 103 far 0 32 0 - 9.4-17.5 HA ILE 76 - QD2 LEU 2 far 0 68 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 78 from cnoeabs.peaks (1.70, 0.81, 23.49 ppm; 3.35 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 2 + QD2 LEU 2 OK 100 100 100 100 2.7-3.2 3.1=100 HB ILE 52 + QD2 LEU 2 OK 22 75 30 96 3.5-5.0 86/2.1=28, ~12039=25...(27) HD3 LYS 47 - QD2 LEU 2 far 0 92 0 - 6.7-9.8 HD2 LYS 47 - QD2 LEU 2 far 0 91 0 - 7.3-10.7 HB3 LYS 53 - QD2 LEU 2 far 0 96 0 - 7.3-8.2 HB3 LYS 53 - QD2 LEU 103 far 0 51 0 - 8.3-11.4 HD2 ARG 81 - QD2 LEU 103 far 0 44 0 - 9.0-20.6 HB3 ARG 91 - QD2 LEU 103 far 0 49 0 - 9.0-20.3 HB2 LEU 2 - QD2 LEU 103 far 0 57 0 - 9.3-14.7 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 7 assignments used, quality = 1.00: * HB3 LEU 2 + QD2 LEU 2 OK 100 100 100 100 1.9-2.4 3.1=100 HG LEU 3 - QD2 LEU 2 far 0 70 0 - 5.6-6.7 HG LEU 3 - QD2 LEU 103 far 0 33 0 - 7.6-11.5 HB3 LEU 27 - QD2 LEU 2 far 0 99 0 - 7.7-9.1 HG2 LYS 94 - QD2 LEU 103 far 0 56 0 - 8.1-18.6 QB ALA 25 - QD2 LEU 2 far 0 100 0 - 9.3-10.7 QB ALA 25 - QD2 LEU 103 far 0 56 0 - 9.7-14.9 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 11 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...(18) HG2 ARG 79 - QD2 LEU 103 far 0 49 0 - 5.8-14.8 HB2 LEU 3 - QD2 LEU 2 far 0 61 0 - 6.0-7.0 HD3 LYS 53 - QD2 LEU 103 far 0 30 0 - 6.3-10.2 HG3 ARG 79 - QD2 LEU 103 far 0 48 0 - 6.6-15.7 HG2 LYS 47 - QD2 LEU 2 far 0 87 0 - 7.1-9.9 HD3 LYS 53 - QD2 LEU 2 far 0 63 0 - 8.4-9.7 HG LEU 2 - QD2 LEU 103 far 0 57 0 - 9.0-15.6 HB2 ARG 91 - QD2 LEU 103 far 0 39 0 - 9.6-21.0 HB2 LEU 3 - QD2 LEU 103 far 0 28 0 - 9.6-13.5 Violated in 0 structures by 0.00 A. Peak 81 from cnoeabs.peaks (0.81, 0.81, 23.49 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 2 + QD2 LEU 2 OK 100 100 - 100 QD2 LEU 103 + QD2 LEU 103 OK 49 49 - 100 Peak 82 from cnoeabs.peaks (0.88, 0.81, 23.49 ppm; 2.83 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 2 + QD2 LEU 2 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 103 + QD2 LEU 103 OK 49 49 100 100 1.9-2.1 2.1=100 QG2 ILE 76 - QD2 LEU 2 far 0 100 0 - 7.0-8.9 QD1 LEU 2 - QD2 LEU 103 far 0 57 0 - 7.1-14.2 QD1 LEU 103 - QD2 LEU 2 far 0 94 0 - 8.3-15.1 QG2 ILE 76 - QD2 LEU 103 far 0 57 0 - 8.8-14.6 Violated in 0 structures by 0.00 A. Peak 83 from cnoeabs.peaks (7.84, 0.81, 23.49 ppm; 4.70 A increased from 3.95 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 3 + QD2 LEU 2 OK 100 100 100 100 4.0-4.7 6022=100, 6018/49=81...(7) H LEU 3 - QD2 LEU 103 far 0 57 0 - 10.0-14.4 Violated in 2 structures by 0.00 A. Peak 84 from cnoeabs.peaks (8.51, 0.88, 24.80 ppm; 4.64 A): 3 out of 9 assignments used, quality = 1.00: * H LEU 2 + QD1 LEU 2 OK 100 100 100 100 2.1-3.9 4.7=97, 6012/2.1=82...(10) H ASN 51 + QD1 LEU 2 OK 84 85 100 99 2.3-3.7 4.0/10631=43...(19) H GLN 50 + QD1 LEU 2 OK 56 59 100 95 3.7-4.9 4.0/12293=41...(14) H ASN 51 - QD1 LEU 103 far 0 49 0 - 6.7-15.9 H VAL 54 - QD1 LEU 2 far 0 93 0 - 7.2-8.4 H ARG 79 - QD1 LEU 103 far 0 62 0 - 7.4-16.2 H LEU 2 - QD1 LEU 103 far 0 65 0 - 7.4-14.3 H GLN 50 - QD1 LEU 103 far 0 31 0 - 7.8-18.0 H VAL 54 - QD1 LEU 103 far 0 55 0 - 9.0-15.5 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 6 assignments used, quality = 1.00: * HA LEU 2 + QD1 LEU 2 OK 100 100 100 100 3.8-4.1 4.0=100 HA GLU 48 + QD1 LEU 2 OK 67 68 100 99 3.3-4.4 3.0/8053=54, 4.1/8056=49...(17) HA ILE 76 - QD1 LEU 2 far 0 68 0 - 8.2-9.5 HA LEU 2 - QD1 LEU 103 far 0 65 0 - 8.7-15.7 HA ILE 76 - QD1 LEU 103 far 0 36 0 - 8.9-18.3 HA GLU 48 - QD1 LEU 103 far 0 36 0 - 10.0-19.4 Violated in 0 structures by 0.00 A. Peak 86 from cnoeabs.peaks (1.70, 0.88, 24.80 ppm; 3.30 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 2 + QD1 LEU 2 OK 100 100 100 100 1.9-2.3 3.1=100 HB ILE 52 + QD1 LEU 2 OK 73 75 100 97 1.9-2.4 3.0/12039=45...(25) HB3 LYS 53 - QD1 LEU 2 far 0 96 0 - 6.4-7.2 HD3 LYS 47 - QD1 LEU 2 far 0 92 0 - 6.9-9.8 HD2 ARG 81 - QD1 LEU 103 far 0 50 0 - 7.5-22.1 HD2 LYS 47 - QD1 LEU 2 far 0 91 0 - 7.7-9.7 HB3 LYS 53 - QD1 LEU 103 far 0 58 0 - 7.9-12.8 HB3 ARG 91 - QD1 LEU 103 far 0 55 0 - 7.9-21.9 HB ILE 52 - QD1 LEU 103 far 0 41 0 - 8.6-16.7 HB2 LEU 2 - QD1 LEU 103 far 0 65 0 - 9.1-16.1 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 8 assignments used, quality = 1.00: * HB3 LEU 2 + QD1 LEU 2 OK 100 100 100 100 2.4-3.1 3.1=100 HG LEU 3 - QD1 LEU 2 far 0 70 0 - 5.4-6.5 HG LEU 3 - QD1 LEU 103 far 0 38 0 - 7.3-13.0 HG2 LYS 94 - QD1 LEU 103 far 0 64 0 - 7.3-18.7 QB ALA 25 - QD1 LEU 103 far 0 64 0 - 8.3-15.3 HB3 LEU 27 - QD1 LEU 2 far 0 99 0 - 8.3-9.6 QB ALA 89 - QD1 LEU 103 far 0 64 0 - 8.9-19.9 HG2 ARG 30 - QD1 LEU 2 far 0 59 0 - 10.0-12.2 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 13 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) HG2 ARG 79 - QD1 LEU 103 far 0 55 0 - 3.4-16.1 HG3 ARG 79 - QD1 LEU 103 far 0 54 0 - 4.5-16.9 HD3 LYS 53 - QD1 LEU 103 far 0 34 0 - 5.7-11.1 HG2 LYS 47 - QD1 LEU 2 far 0 87 0 - 6.7-8.6 HB2 LEU 3 - QD1 LEU 2 far 0 61 0 - 6.7-7.1 HD3 LYS 53 - QD1 LEU 2 far 0 63 0 - 7.5-8.9 HG LEU 2 - QD1 LEU 103 far 0 65 0 - 8.1-16.3 HG LEU 57 - QD1 LEU 103 far 0 59 0 - 8.2-21.0 HB2 ARG 91 - QD1 LEU 103 far 0 44 0 - 8.7-22.4 HB2 LEU 3 - QD1 LEU 103 far 0 33 0 - 9.0-14.6 HB3 LEU 103 - QD1 LEU 2 far 0 99 0 - 9.1-15.6 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 11 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 0 77 0 - 3.4-3.8 QD2 LEU 57 - QD1 LEU 103 far 0 60 0 - 6.1-16.5 QG2 ILE 52 - QD1 LEU 103 far 0 43 0 - 6.6-13.9 QD1 LEU 57 - QD1 LEU 103 far 0 55 0 - 6.7-18.0 QD2 LEU 103 - QD1 LEU 2 far 0 94 0 - 7.1-14.2 QD1 ILE 76 - QD1 LEU 2 far 0 99 0 - 7.8-8.7 QD2 LEU 2 - QD1 LEU 103 far 0 65 0 - 8.3-15.1 QD1 ILE 93 - QD1 LEU 103 far 0 31 0 - 8.5-18.4 QD1 LEU 6 - QD1 LEU 2 far 0 61 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 90 from cnoeabs.peaks (0.88, 0.88, 24.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 2 + QD1 LEU 2 OK 100 100 - 100 QD1 LEU 103 + QD1 LEU 103 OK 56 56 - 100 Peak 91 from cnoeabs.peaks (7.84, 0.88, 24.80 ppm; 5.18 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 3 + QD1 LEU 2 OK 100 100 100 100 4.8-5.1 5.0=100 H LEU 3 - QD1 LEU 103 far 0 65 0 - 10.0-15.9 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): 1 out of 8 assignments used, quality = 1.00: * HB2 LEU 3 + HA LEU 3 OK 100 100 100 100 3.0-3.0 3.0=100 HD3 LYS 53 - HA LEU 3 far 0 100 0 - 5.0-6.1 HG LEU 2 - HA LEU 3 far 0 61 0 - 6.0-6.5 HB3 GLU 28 - HA LEU 3 far 0 99 0 - 6.5-7.1 HG LEU 6 - HA LEU 3 far 0 81 0 - 9.0-9.4 HG3 ARG 79 - HA LEU 3 far 0 94 0 - 9.3-11.5 HG2 ARG 79 - HA LEU 3 far 0 93 0 - 9.6-11.4 HG12 ILE 56 - HA LEU 3 far 0 90 0 - 9.8-10.3 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 2.5-2.6 3.0=100 HB2 LEU 29 - HA LEU 3 far 0 99 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 96 from cnoeabs.peaks (1.30, 5.13, 53.57 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 3 + HA LEU 3 OK 100 100 100 100 2.6-2.7 3.7=100 HB3 LEU 2 - HA LEU 3 far 0 70 0 - 4.7-5.0 Violated in 0 structures by 0.00 A. Peak 97 from cnoeabs.peaks (0.26, 5.13, 53.57 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 3 + HA LEU 3 OK 100 100 100 100 2.3-2.7 125=100, 6037/99=46...(21) 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 3.8-3.9 3.9=100 QD1 LEU 55 - HA LEU 3 far 0 82 0 - 7.3-8.1 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 2.2-2.2 3.6=73, 6035/3.0=36...(15) 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 2.6-2.8 4.0=100 H ASN 26 - HB2 LEU 3 far 0 100 0 - 8.0-8.8 Violated in 0 structures by 0.00 A. Peak 101 from cnoeabs.peaks (5.13, 1.55, 44.04 ppm; 4.21 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 3 + HB2 LEU 3 OK 100 100 100 100 3.0-3.0 3.0=100 HA TYR 4 - HB2 LEU 3 far 0 96 0 - 4.7-4.9 HA VAL 54 - HB2 LEU 3 far 0 75 0 - 6.5-7.3 HA VAL 5 - HB2 LEU 3 far 0 90 0 - 7.8-8.1 Violated in 0 structures by 0.00 A. Peak 102 from cnoeabs.peaks (1.55, 1.55, 44.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 3 + HB2 LEU 3 OK 100 100 - 100 Peak 103 from cnoeabs.peaks (1.15, 1.55, 44.04 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 3 + HB2 LEU 3 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 29 - HB2 LEU 3 far 0 99 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 104 from cnoeabs.peaks (1.30, 1.55, 44.04 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 3 + HB2 LEU 3 OK 100 100 100 100 2.6-2.7 3.0=100 HB3 LEU 2 - HB2 LEU 3 far 0 70 0 - 5.6-5.9 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 3.1-3.2 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 1.9-2.2 3.1=100 QD1 LEU 55 - HB2 LEU 3 far 0 82 0 - 8.3-9.0 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 1 assignment used, quality = 1.00: * H TYR 4 + HB2 LEU 3 OK 100 100 100 100 4.0-4.2 4.4=100 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 3.7-3.9 4.0=100 H ASN 26 - HB3 LEU 3 far 0 100 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 109 from cnoeabs.peaks (5.13, 1.15, 44.04 ppm; 4.18 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 3 + HB3 LEU 3 OK 100 100 100 100 2.5-2.6 3.0=100 HA TYR 4 + HB3 LEU 3 OK 95 96 100 98 4.2-4.4 3.0/6035=62, ~6034=41...(14) HA VAL 54 - HB3 LEU 3 far 0 75 0 - 5.1-6.0 HA VAL 5 - HB3 LEU 3 far 0 90 0 - 6.5-6.7 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 7 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 - 5.7-6.8 HB3 GLU 28 - HB3 LEU 3 far 0 99 0 - 6.5-7.2 HG LEU 2 - HB3 LEU 3 far 0 61 0 - 8.0-8.3 HG3 ARG 79 - HB3 LEU 3 far 0 94 0 - 9.4-11.5 HG2 ARG 79 - HB3 LEU 3 far 0 93 0 - 9.4-11.3 HG LEU 6 - HB3 LEU 3 far 0 81 0 - 9.5-9.7 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 2.9-3.0 3.0=100 HB3 LEU 2 - HB3 LEU 3 far 0 70 0 - 6.5-6.8 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 2.1-2.2 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 2.6-2.8 3.1=100 QD1 LEU 55 - HB3 LEU 3 far 0 82 0 - 6.8-7.5 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 2.9-3.2 4.4=100 H GLU 95 - HB3 LEU 3 far 0 100 0 - 9.0-10.7 H ILE 93 - HB3 LEU 3 far 0 100 0 - 9.5-10.8 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 1 assignment used, quality = 1.00: * H LEU 3 + HG LEU 3 OK 100 100 100 100 3.4-3.6 132/2.1=67, 6025/3.0=64...(11) 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 2.6-2.7 3.7=100 HA TYR 4 - HG LEU 3 far 0 96 0 - 6.5-6.6 HA VAL 54 - HG LEU 3 far 0 75 0 - 6.8-7.5 HA VAL 5 - HG LEU 3 far 0 90 0 - 9.0-9.2 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 5 assignments used, quality = 1.00: * HB2 LEU 3 + HG LEU 3 OK 100 100 100 100 2.6-2.7 3.0=100 HD3 LYS 53 - HG LEU 3 far 0 100 0 - 4.6-5.8 HG LEU 2 - HG LEU 3 far 0 61 0 - 5.8-6.4 HB3 GLU 28 - HG LEU 3 far 0 99 0 - 8.2-8.7 HG LEU 103 - HG LEU 3 far 0 79 0 - 8.8-15.4 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 2.9-3.0 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 - 8.2-9.1 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 4.6-4.7 6036=100, 6037/2.1=95...(13) Violated in 0 structures by 0.00 A. Peak 124 from cnoeabs.peaks (7.84, 0.26, 24.15 ppm; 4.53 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 3 + QD2 LEU 3 OK 100 100 100 100 4.4-4.5 6028=100, 116/2.1=86...(8) H ASN 26 - QD2 LEU 3 far 0 100 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 125 from cnoeabs.peaks (5.13, 0.26, 24.15 ppm; 3.32 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 3 + QD2 LEU 3 OK 100 100 100 100 2.3-2.7 97=81, 99/6037=40...(21) HA VAL 54 - QD2 LEU 3 far 0 75 0 - 4.8-5.4 HA TYR 4 - QD2 LEU 3 far 0 96 0 - 5.3-5.5 HA VAL 5 - QD2 LEU 3 far 0 90 0 - 6.3-6.6 Violated in 0 structures by 0.00 A. Peak 126 from cnoeabs.peaks (1.55, 0.26, 24.15 ppm; 3.60 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 3 + QD2 LEU 3 OK 100 100 100 100 3.1-3.2 3.1=100 HD3 LYS 53 + QD2 LEU 3 OK 100 100 100 100 2.5-3.6 1.8/9192=56...(19) HG LEU 2 - QD2 LEU 3 far 0 61 0 - 6.4-7.3 HG2 ARG 79 - QD2 LEU 3 far 0 93 0 - 6.5-8.1 HG3 ARG 79 - QD2 LEU 3 far 0 94 0 - 7.0-8.4 HG LEU 103 - QD2 LEU 3 far 0 79 0 - 7.2-11.9 HB2 LEU 103 - QD2 LEU 3 far 0 73 0 - 7.3-11.9 HB3 LEU 103 - QD2 LEU 3 far 0 77 0 - 7.3-11.9 HB3 GLU 28 - QD2 LEU 3 far 0 99 0 - 7.6-8.0 HG12 ILE 56 - QD2 LEU 3 far 0 90 0 - 8.5-9.2 HG LEU 6 - QD2 LEU 3 far 0 81 0 - 8.9-9.3 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 2.1-2.2 3.1=100 HB2 LEU 29 - QD2 LEU 3 far 0 99 0 - 8.4-9.0 HB2 LEU 6 - QD2 LEU 3 far 0 77 0 - 9.3-9.8 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 - 6.1-6.4 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 - 5.2-6.0 HG2 ARG 81 - QD2 LEU 3 far 0 68 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 131 from cnoeabs.peaks (8.36, 0.26, 24.15 ppm; 4.22 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 4 + QD2 LEU 3 OK 100 100 100 100 3.2-3.5 6037=100, 99/125=73...(14) H GLU 95 - QD2 LEU 3 far 0 100 0 - 7.5-8.6 H ILE 93 - QD2 LEU 3 far 0 100 0 - 8.5-9.2 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 3.6-4.1 6029=90, 116/2.1=75...(11) H ASN 26 - QD1 LEU 3 far 0 100 0 - 7.1-7.9 Violated in 1 structures by 0.00 A. Peak 133 from cnoeabs.peaks (5.13, 0.46, 24.71 ppm; 4.16 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 3 + QD1 LEU 3 OK 100 100 100 100 3.8-3.9 3.9=100 HA TYR 4 - QD1 LEU 3 far 0 96 0 - 6.0-6.1 HA VAL 54 - QD1 LEU 3 far 0 75 0 - 6.9-7.5 HA VAL 5 - QD1 LEU 3 far 0 90 0 - 7.9-8.1 Violated in 0 structures by 0.00 A. Peak 134 from cnoeabs.peaks (1.55, 0.46, 24.71 ppm; 3.55 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 3 + QD1 LEU 3 OK 100 100 100 100 1.9-2.2 3.1=100 HD3 LYS 53 - QD1 LEU 3 far 0 100 0 - 4.8-5.9 HG LEU 2 - QD1 LEU 3 far 0 61 0 - 6.2-6.8 HG LEU 103 - QD1 LEU 3 far 0 79 0 - 6.9-12.7 HB3 GLU 28 - QD1 LEU 3 far 0 99 0 - 7.2-7.7 HB3 LEU 103 - QD1 LEU 3 far 0 77 0 - 8.0-13.1 HG2 ARG 79 - QD1 LEU 3 far 0 93 0 - 8.4-10.4 HB2 LEU 103 - QD1 LEU 3 far 0 73 0 - 8.6-13.1 HG3 ARG 79 - QD1 LEU 3 far 0 94 0 - 9.5-10.7 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 2.6-2.8 3.1=100 HB2 LEU 29 - QD1 LEU 3 far 0 99 0 - 8.6-9.1 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 - 5.8-6.2 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 5.0-5.1 5.0=100 H GLU 95 - QD1 LEU 3 far 0 100 0 - 7.6-9.0 H ILE 93 - QD1 LEU 3 far 0 100 0 - 9.0-10.1 Violated in 2 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 3 assignments used, quality = 1.00: * HB2 TYR 4 + HA TYR 4 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 TYR 41 - HA TYR 4 far 0 88 0 - 8.2-8.6 HB2 GLU 48 - HA TYR 4 far 0 100 0 - 9.1-11.4 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 2.5-2.6 3.0=100 HG3 GLU 48 - HA TYR 4 far 0 79 0 - 8.8-11.2 HG3 GLU 23 - HA TYR 4 far 0 73 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 144 from cnoeabs.peaks (6.43, 5.14, 56.58 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 4 + HA TYR 4 OK 100 100 100 100 3.0-3.2 3.7=100 QE TYR 4 - HA TYR 4 far 0 98 0 - 4.6-4.7 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 2.4-2.5 3.6=72, 6049/3.0=38...(13) H LEU 57 - HA TYR 4 far 0 99 0 - 9.8-10.3 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 2.7-2.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 148 from cnoeabs.peaks (5.14, 2.29, 43.84 ppm; 3.92 A): 2 out of 4 assignments used, quality = 1.00: * HA TYR 4 + HB2 TYR 4 OK 100 100 100 100 3.0-3.0 3.0=100 HA VAL 54 + HB2 TYR 4 OK 96 96 100 100 2.2-2.8 3.2/9239=57, 3.2/8144=53...(19) HA LEU 3 - HB2 TYR 4 far 0 96 0 - 4.3-4.5 HA VAL 5 - HB2 TYR 4 far 0 63 0 - 4.6-4.7 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 - 7.6-10.0 Violated in 0 structures by 0.00 A. Peak 151 from cnoeabs.peaks (6.43, 2.29, 43.84 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 4 + HB2 TYR 4 OK 100 100 100 100 2.4-2.6 2.5=100 QE TYR 4 - HB2 TYR 4 far 0 98 0 - 4.4-4.5 Violated in 0 structures by 0.00 A. Peak 153 from cnoeabs.peaks (8.92, 2.29, 43.84 ppm; 4.93 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 5 + HB2 TYR 4 OK 100 100 100 100 3.6-3.7 4.6=100 H ASP 77 - HB2 TYR 4 far 0 79 0 - 8.5-9.5 H LEU 57 - HB2 TYR 4 far 0 99 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 154 from cnoeabs.peaks (8.36, 2.46, 43.84 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 4 + HB3 TYR 4 OK 100 100 100 100 3.8-3.9 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): 2 out of 5 assignments used, quality = 1.00: * HA TYR 4 + HB3 TYR 4 OK 100 100 100 100 2.5-2.6 3.0=100 HA VAL 54 + HB3 TYR 4 OK 95 96 100 100 3.5-3.9 3.2/8147=51...(19) HA VAL 5 - HB3 TYR 4 far 0 63 0 - 4.2-4.3 HA LEU 3 - HB3 TYR 4 far 0 96 0 - 5.6-5.7 HA ILE 7 - HB3 TYR 4 far 0 98 0 - 9.4-9.9 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 - 5.8-6.2 HB2 GLU 48 - HB3 TYR 4 far 0 100 0 - 8.8-10.8 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): 1 out of 2 assignments used, quality = 1.00: * QD TYR 4 + HB3 TYR 4 OK 100 100 100 100 2.3-2.4 2.5=100 QE TYR 4 - HB3 TYR 4 far 0 98 0 - 4.4-4.4 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 2 assignments used, quality = 1.00: * H VAL 5 + HB3 TYR 4 OK 100 100 100 100 2.3-2.4 6049=100, 146/3.0=85...(11) H LEU 57 - HB3 TYR 4 far 0 99 0 - 8.9-9.4 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 2 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 0 99 0 - 5.4-5.9 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 6 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 0 87 0 - 5.3-5.7 HB3 LEU 57 - HA VAL 5 far 0 63 0 - 6.0-6.6 HB2 LYS 53 - HA VAL 5 far 0 92 0 - 7.2-8.0 HG LEU 42 - HA VAL 5 far 0 68 0 - 8.8-9.6 HB ILE 8 - HA VAL 5 far 0 70 0 - 9.8-10.6 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 2.3-2.4 3.2=100 QG1 VAL 54 + HA VAL 5 OK 58 68 100 87 2.7-3.1 4.1/9295=36, 12127=36...(12) QD2 LEU 6 - HA VAL 5 far 0 57 0 - 4.9-5.4 HG13 ILE 56 - HA VAL 5 far 0 98 0 - 5.6-5.9 QG2 ILE 93 - HA VAL 5 far 0 87 0 - 5.6-6.3 HG13 ILE 93 - HA VAL 5 far 0 95 0 - 6.0-7.4 QD1 ILE 56 - HA VAL 5 far 0 93 0 - 6.4-6.7 QG1 VAL 78 - HA VAL 5 far 0 93 0 - 6.4-6.7 QD2 LEU 27 - HA VAL 5 far 0 100 0 - 6.8-7.5 QD1 ILE 52 - HA VAL 5 far 0 73 0 - 7.1-8.4 QG2 VAL 78 - HA VAL 5 far 0 100 0 - 7.1-7.7 QD1 ILE 8 - HA VAL 5 far 0 95 0 - 7.9-8.3 QG1 VAL 58 - HA VAL 5 far 0 100 0 - 8.4-8.6 QD1 LEU 42 - HA VAL 5 far 0 61 0 - 8.7-9.3 HG3 ARG 81 - HA VAL 5 far 0 98 0 - 9.0-11.3 QD2 LEU 14 - HA VAL 5 far 0 94 0 - 9.5-10.3 QD1 LEU 64 - HA VAL 5 far 0 96 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 165 from cnoeabs.peaks (0.95, 5.11, 59.85 ppm; 3.56 A): 1 out of 6 assignments used, quality = 1.00: * QG2 VAL 5 + HA VAL 5 OK 100 100 100 100 2.3-2.5 3.2=100 HG LEU 55 - HA VAL 5 far 0 94 0 - 3.9-4.8 QG2 THR 80 - HA VAL 5 far 0 70 0 - 7.7-8.1 QG2 VAL 83 - HA VAL 5 far 0 95 0 - 8.5-9.1 QG1 VAL 32 - HA VAL 5 far 0 57 0 - 9.3-9.4 HB2 ARG 81 - HA VAL 5 far 0 97 0 - 9.8-10.8 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 2.1-2.2 6059=100, 6067/3.2=47...(17) 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...(12) H LEU 57 - HB VAL 5 far 0 99 0 - 6.6-7.2 H ARG 19 - HB VAL 5 far 0 94 0 - 7.5-8.4 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 56 63 100 89 4.5-4.6 3.6/6053=68, 8140/2.1=37...(5) HA ILE 7 - HB VAL 5 far 0 85 0 - 6.5-6.9 HA LEU 3 - HB VAL 5 far 0 90 0 - 8.0-8.2 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): 1 out of 14 assignments used, quality = 1.00: * QG1 VAL 5 + HB VAL 5 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 93 - HB VAL 5 far 0 87 0 - 4.0-4.6 HG13 ILE 93 - HB VAL 5 far 0 95 0 - 4.8-6.1 QG1 VAL 54 - HB VAL 5 far 0 68 0 - 5.0-5.5 QD2 LEU 6 - HB VAL 5 far 0 57 0 - 5.3-5.9 QD2 LEU 27 - HB VAL 5 far 0 100 0 - 6.2-6.8 HG13 ILE 56 - HB VAL 5 far 0 98 0 - 8.0-8.5 QD1 ILE 52 - HB VAL 5 far 0 73 0 - 8.4-9.8 QD1 ILE 56 - HB VAL 5 far 0 93 0 - 8.6-9.0 QG1 VAL 78 - HB VAL 5 far 0 93 0 - 8.9-9.2 QD2 LEU 14 - HB VAL 5 far 0 94 0 - 8.9-9.5 QD1 ILE 8 - HB VAL 5 far 0 95 0 - 9.1-9.6 QG1 VAL 58 - HB VAL 5 far 0 100 0 - 9.6-10.0 QG2 VAL 78 - HB VAL 5 far 0 100 0 - 9.6-10.2 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 4 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 - 5.4-6.4 QG2 VAL 83 - HB VAL 5 far 0 95 0 - 8.7-9.3 QG2 THR 80 - HB VAL 5 far 0 70 0 - 9.7-10.1 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 3.8-4.3 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 91 99 100 93 3.7-4.2 9333/178=48, 6934=40...(13) H ASP 77 - QG2 VAL 78 far 0 53 0 - 5.1-5.5 H ARG 19 - QG1 VAL 5 far 0 94 0 - 6.1-7.2 H LEU 57 - QG2 VAL 78 far 0 72 0 - 7.2-7.4 H VAL 5 - QG2 VAL 78 far 0 76 0 - 8.6-9.3 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 2.3-2.4 3.2=100 HA ILE 7 - QG1 VAL 5 far 0 85 0 - 4.0-4.2 HA TYR 4 - QG1 VAL 5 far 0 63 0 - 5.4-5.4 HA VAL 5 - QG2 VAL 78 far 0 76 0 - 7.1-7.7 HA LEU 3 - QG1 VAL 5 far 0 90 0 - 7.5-7.8 HA LEU 3 - QG2 VAL 78 far 0 62 0 - 9.0-9.7 HA ILE 7 - QG2 VAL 78 far 0 58 0 - 9.2-9.5 HA TYR 4 - QG2 VAL 78 far 0 41 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 175 from cnoeabs.peaks (1.86, 0.73, 20.80 ppm; 3.03 A): 1 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 far 0 59 0 - 3.6-4.1 HB3 LEU 57 - QG1 VAL 5 far 0 63 0 - 3.6-4.0 HB2 LYS 68 - QG2 VAL 78 far 0 61 0 - 3.9-4.7 HB3 LYS 68 - QG2 VAL 78 far 0 73 0 - 4.1-4.6 HG LEU 42 - QG2 VAL 78 far 0 44 0 - 5.2-5.9 HB2 LYS 53 - QG2 VAL 78 far 0 64 0 - 6.2-7.3 HB VAL 54 - QG1 VAL 5 far 0 87 0 - 6.6-7.0 HB2 ARG 19 - QG1 VAL 5 far 0 75 0 - 7.4-8.6 HB ILE 8 - QG1 VAL 5 far 0 70 0 - 7.5-8.0 HG2 ARG 46 - QG2 VAL 78 far 0 42 0 - 7.6-10.4 HB2 LYS 53 - QG1 VAL 5 far 0 92 0 - 7.8-8.6 HB3 GLU 104 - QG2 VAL 78 far 0 74 0 - 8.1-20.8 HB3 LYS 90 - QG1 VAL 5 far 0 82 0 - 8.2-8.8 HB3 LYS 39 - QG2 VAL 78 far 0 76 0 - 8.5-10.4 HB3 LYS 66 - QG2 VAL 78 far 0 76 0 - 8.5-8.8 HB3 LEU 57 - QG2 VAL 78 far 0 41 0 - 8.8-9.1 HG LEU 42 - QG1 VAL 5 far 0 68 0 - 9.0-9.8 HB ILE 8 - QG2 VAL 78 far 0 45 0 - 9.3-9.9 HB VAL 5 - QG2 VAL 78 far 0 76 0 - 9.6-10.2 HB2 LYS 20 - QG1 VAL 5 far 0 81 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 176 from cnoeabs.peaks (0.73, 0.73, 20.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 5 + QG1 VAL 5 OK 100 100 - 100 QG2 VAL 78 + QG2 VAL 78 OK 75 75 - 100 Peak 177 from cnoeabs.peaks (0.95, 0.73, 20.80 ppm; 2.84 A): 2 out of 12 assignments used, quality = 1.00: * QG2 VAL 5 + QG1 VAL 5 OK 100 100 100 100 2.0-2.1 2.1=100 HG LEU 55 + QG1 VAL 5 OK 84 94 95 94 2.4-3.5 2.1/8195=43, 3.0/9248=21...(21) QG2 THR 80 - QG2 VAL 78 far 7 45 15 - 3.1-3.7 QG2 VAL 83 - QG1 VAL 5 far 0 95 0 - 5.7-6.2 QG2 THR 80 - QG1 VAL 5 far 0 70 0 - 6.7-7.2 HG LEU 55 - QG2 VAL 78 far 0 66 0 - 6.9-7.4 HB2 ARG 81 - QG1 VAL 5 far 0 97 0 - 7.5-8.2 QG2 VAL 5 - QG2 VAL 78 far 0 76 0 - 7.5-8.0 HB2 ARG 81 - QG2 VAL 78 far 0 70 0 - 7.7-9.4 QG1 VAL 32 - QG1 VAL 5 far 0 57 0 - 7.8-8.1 QG1 VAL 32 - QG2 VAL 78 far 0 37 0 - 8.0-8.4 QG2 VAL 83 - QG2 VAL 78 far 0 67 0 - 9.3-9.6 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 2.1-2.9 6061=69, 6059/3.2=64...(17) H LEU 6 - QG2 VAL 78 far 0 76 0 - 6.8-7.3 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 2.8-3.1 6055=100, 6053/2.1=76...(12) H LEU 57 - QG2 VAL 5 far 0 99 0 - 5.8-6.4 H ARG 19 - QG2 VAL 5 far 0 94 0 - 7.4-8.3 Violated in 0 structures by 0.00 A. Peak 180 from cnoeabs.peaks (5.11, 0.95, 22.19 ppm; 3.47 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 5 + QG2 VAL 5 OK 100 100 100 100 2.3-2.5 3.2=100 HA TYR 4 + QG2 VAL 5 OK 48 63 100 75 3.1-3.5 3.6/6055=45, 8140=25...(7) HA LEU 3 - QG2 VAL 5 far 0 90 0 - 5.2-5.5 HA ILE 7 - QG2 VAL 5 far 0 85 0 - 6.6-6.8 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 8 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 - 5.9-6.2 HB VAL 54 - QG2 VAL 5 far 0 87 0 - 6.2-6.6 HB2 LYS 53 - QG2 VAL 5 far 0 92 0 - 6.2-7.0 HB2 ARG 19 - QG2 VAL 5 far 0 75 0 - 8.2-9.1 HB3 LYS 90 - QG2 VAL 5 far 0 82 0 - 8.7-9.3 HG LEU 42 - QG2 VAL 5 far 0 68 0 - 9.7-10.3 HB ILE 8 - QG2 VAL 5 far 0 70 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 182 from cnoeabs.peaks (0.73, 0.95, 22.19 ppm; 2.54 A): 2 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 44 87 75 67 2.3-3.0 10322=24, 3.2/8176=14...(14) HG13 ILE 93 - QG2 VAL 5 far 0 95 0 - 3.1-4.6 QD2 LEU 27 - QG2 VAL 5 far 0 100 0 - 4.1-4.5 QG1 VAL 54 - QG2 VAL 5 far 0 68 0 - 4.1-4.6 QD2 LEU 6 - QG2 VAL 5 far 0 57 0 - 5.7-6.2 QD1 ILE 52 - QG2 VAL 5 far 0 73 0 - 6.7-7.7 QG1 VAL 78 - QG2 VAL 5 far 0 93 0 - 6.9-7.2 HG13 ILE 56 - QG2 VAL 5 far 0 98 0 - 6.9-7.3 QD1 ILE 56 - QG2 VAL 5 far 0 93 0 - 7.1-7.5 HG3 ARG 81 - QG2 VAL 5 far 0 98 0 - 7.4-9.7 QG2 VAL 78 - QG2 VAL 5 far 0 100 0 - 7.5-8.0 QD2 LEU 14 - QG2 VAL 5 far 0 94 0 - 8.3-8.8 QD1 ILE 8 - QG2 VAL 5 far 0 95 0 - 8.3-8.8 QG1 VAL 58 - QG2 VAL 5 far 0 100 0 - 8.4-8.6 QD1 LEU 64 - QG2 VAL 5 far 0 96 0 - 9.2-9.7 QD1 LEU 42 - QG2 VAL 5 far 0 61 0 - 9.3-9.7 QD1 ILE 15 - QG2 VAL 5 far 0 71 0 - 9.9-10.5 HG13 ILE 15 - QG2 VAL 5 far 0 81 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 183 from cnoeabs.peaks (0.95, 0.95, 22.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 5 + QG2 VAL 5 OK 100 100 - 100 Peak 184 from cnoeabs.peaks (9.31, 0.95, 22.19 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 6 + QG2 VAL 5 OK 100 100 100 100 3.8-4.1 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 - 8.6-8.8 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 3.0-3.0 3.0=100 QG2 THR 31 - HA LEU 6 far 0 59 0 - 4.7-5.0 HB2 LEU 29 - HA LEU 6 far 0 92 0 - 5.7-6.2 HB2 LEU 57 - HA LEU 6 far 0 96 0 - 7.5-7.9 Violated in 0 structures by 0.00 A. Peak 188 from cnoeabs.peaks (1.65, 5.47, 52.09 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 6 + HA LEU 6 OK 100 100 100 100 2.6-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 189 from cnoeabs.peaks (1.52, 5.47, 52.09 ppm; 4.13 A): 1 out of 9 assignments used, quality = 1.00: * HG LEU 6 + HA LEU 6 OK 100 100 100 100 2.7-2.9 3.7=100 HB ILE 7 - HA LEU 6 far 15 100 15 - 4.4-4.5 HG3 ARG 30 - HA LEU 6 far 0 100 0 - 5.7-6.2 HG12 ILE 56 - HA LEU 6 far 0 100 0 - 6.2-6.8 HG LEU 57 - HA LEU 6 far 0 87 0 - 7.3-7.6 HB3 GLU 28 - HA LEU 6 far 0 61 0 - 9.0-9.5 HG3 LYS 33 - HA LEU 6 far 0 91 0 - 9.2-9.4 HG3 ARG 79 - HA LEU 6 far 0 99 0 - 9.4-13.3 HG2 LYS 33 - HA LEU 6 far 0 88 0 - 10.0-10.3 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 2.0-2.2 218=100, 6076/6072=40...(14) QG1 VAL 5 + HA LEU 6 OK 48 57 90 92 3.4-3.8 6067/2.9=56, ~6059=18...(17) QD1 LEU 29 - HA LEU 6 far 0 71 0 - 4.5-4.9 HG13 ILE 56 - HA LEU 6 far 0 81 0 - 5.3-5.6 QD1 ILE 8 - HA LEU 6 far 0 88 0 - 5.8-6.1 QG2 VAL 54 - HA LEU 6 far 0 73 0 - 6.1-7.0 QD1 ILE 56 - HA LEU 6 far 0 91 0 - 6.5-6.7 QG1 VAL 58 - HA LEU 6 far 0 70 0 - 7.1-7.4 QD2 LEU 14 - HA LEU 6 far 0 90 0 - 8.0-8.4 QD1 LEU 42 - HA LEU 6 far 0 100 0 - 8.2-8.5 QG2 VAL 78 - HA LEU 6 far 0 68 0 - 8.3-8.9 QD1 ILE 52 - HA LEU 6 far 0 99 0 - 8.8-10.1 QG2 VAL 58 - HA LEU 6 far 0 99 0 - 9.2-9.6 QD1 LEU 14 - HA LEU 6 far 0 99 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 191 from cnoeabs.peaks (0.77, 5.47, 52.09 ppm; 3.94 A): 2 out of 16 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...(11) QG2 ILE 7 + HA LEU 6 OK 77 81 100 96 4.0-4.2 6077/6072=75, 8256=40...(7) QG1 VAL 54 - HA LEU 6 far 10 99 10 - 4.1-4.7 QD2 LEU 57 - HA LEU 6 far 0 85 0 - 4.8-6.5 QG2 ILE 15 - HA LEU 6 far 0 59 0 - 6.6-7.3 QD1 ILE 93 - HA LEU 6 far 0 100 0 - 6.7-7.6 QG2 ILE 8 - HA LEU 6 far 0 96 0 - 7.0-7.6 QD2 LEU 42 - HA LEU 6 far 0 100 0 - 7.1-7.4 QG2 ILE 93 - HA LEU 6 far 0 92 0 - 7.6-8.1 QG1 VAL 78 - HA LEU 6 far 0 85 0 - 7.7-8.2 HG13 ILE 93 - HA LEU 6 far 0 82 0 - 8.0-8.9 HG13 ILE 15 - HA LEU 6 far 0 96 0 - 8.1-9.8 QD1 ILE 15 - HA LEU 6 far 0 99 0 - 8.2-8.9 QD1 LEU 27 - HA LEU 6 far 0 100 0 - 8.5-8.7 QD1 ILE 76 - HA LEU 6 far 0 77 0 - 9.9-10.3 QD1 LEU 64 - HA LEU 6 far 0 79 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 192 from cnoeabs.peaks (8.46, 5.47, 52.09 ppm; 3.21 A): 1 out of 5 assignments used, quality = 1.00: * H ILE 7 + HA LEU 6 OK 100 100 100 100 2.1-2.2 6072=100, 6074/3.0=36...(18) H THR 31 - HA LEU 6 far 0 61 0 - 4.8-5.2 H VAL 32 - HA LEU 6 far 0 90 0 - 4.9-5.2 H LEU 29 - HA LEU 6 far 0 100 0 - 7.0-7.5 H VAL 54 - HA LEU 6 far 0 73 0 - 9.2-9.7 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 2.4-2.6 4.0=100 H LYS 33 - HB2 LEU 6 far 0 99 0 - 9.1-9.5 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 3.0-3.0 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 ARG 79 - HB2 LEU 6 far 0 100 0 - 8.3-9.7 HB ILE 76 - HB2 LEU 6 far 0 100 0 - 9.5-9.9 HB2 LYS 40 - HB2 LEU 6 far 0 100 0 - 9.9-10.8 HB3 LYS 53 - HB2 LEU 6 far 0 63 0 - 10.0-10.6 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 7 assignments used, quality = 1.00: * HG LEU 6 + HB2 LEU 6 OK 100 100 100 100 2.5-2.6 3.0=100 HG12 ILE 56 + HB2 LEU 6 OK 94 100 100 95 3.3-3.9 1.8/10676=42...(11) HB ILE 7 - HB2 LEU 6 far 0 100 0 - 6.4-6.5 HG3 ARG 30 - HB2 LEU 6 far 0 100 0 - 7.2-8.3 HG3 ARG 79 - HB2 LEU 6 far 0 99 0 - 7.3-11.2 HG LEU 57 - HB2 LEU 6 far 0 87 0 - 7.3-7.7 HG2 ARG 79 - HB2 LEU 6 far 0 99 0 - 8.9-11.3 Violated in 0 structures by 0.00 A. Peak 198 from cnoeabs.peaks (0.69, 1.18, 44.10 ppm; 3.49 A): 2 out of 13 assignments used, quality = 1.00: * QD2 LEU 6 + HB2 LEU 6 OK 100 100 100 100 3.2-3.2 3.1=100 HG13 ILE 56 + HB2 LEU 6 OK 77 81 100 96 2.4-2.6 3.2/8235=38, 1.8/197=33...(11) QD1 ILE 56 - HB2 LEU 6 far 0 91 0 - 4.0-4.2 QG1 VAL 5 - HB2 LEU 6 far 0 57 0 - 4.3-4.8 QD1 ILE 8 - HB2 LEU 6 far 0 88 0 - 4.6-5.0 QG2 VAL 54 - HB2 LEU 6 far 0 73 0 - 5.0-5.6 QG2 VAL 78 - HB2 LEU 6 far 0 68 0 - 5.8-6.4 QG1 VAL 58 - HB2 LEU 6 far 0 70 0 - 5.9-6.1 QD1 LEU 42 - HB2 LEU 6 far 0 100 0 - 6.1-6.5 QD1 LEU 29 - HB2 LEU 6 far 0 71 0 - 6.4-6.9 QG2 VAL 58 - HB2 LEU 6 far 0 99 0 - 7.9-8.5 QD1 ILE 52 - HB2 LEU 6 far 0 99 0 - 8.0-9.5 QD2 LEU 14 - HB2 LEU 6 far 0 90 0 - 9.0-9.5 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 17 assignments used, quality = 1.00: * QD1 LEU 6 + HB2 LEU 6 OK 100 100 100 100 2.0-2.4 3.1=100 QG1 VAL 54 + HB2 LEU 6 OK 82 99 100 82 2.6-3.1 6068/6064=41...(9) QD2 LEU 57 - HB2 LEU 6 far 0 85 0 - 4.7-5.6 QD2 LEU 42 - HB2 LEU 6 far 0 100 0 - 5.1-5.4 QG1 VAL 78 - HB2 LEU 6 far 0 85 0 - 5.5-6.0 QG2 ILE 7 - HB2 LEU 6 far 0 81 0 - 6.0-6.1 QG2 ILE 8 - HB2 LEU 6 far 0 96 0 - 6.8-7.3 QD1 ILE 76 - HB2 LEU 6 far 0 77 0 - 8.0-8.4 QD1 LEU 64 - HB2 LEU 6 far 0 79 0 - 8.1-8.8 QD1 ILE 93 - HB2 LEU 6 far 0 100 0 - 8.2-8.9 QG2 ILE 93 - HB2 LEU 6 far 0 92 0 - 8.7-9.3 QG2 ILE 15 - HB2 LEU 6 far 0 59 0 - 8.8-9.5 HG13 ILE 93 - HB2 LEU 6 far 0 82 0 - 8.9-9.9 QG2 ILE 52 - HB2 LEU 6 far 0 99 0 - 8.9-9.7 QD1 LEU 27 - HB2 LEU 6 far 0 100 0 - 9.0-9.4 QD2 LEU 70 - HB2 LEU 6 far 0 63 0 - 9.8-10.5 QD1 ILE 15 - HB2 LEU 6 far 0 99 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 200 from cnoeabs.peaks (8.46, 1.18, 44.10 ppm; 4.52 A): 1 out of 6 assignments used, quality = 1.00: * H ILE 7 + HB2 LEU 6 OK 100 100 100 100 4.4-4.5 4.3=100 H VAL 32 - HB2 LEU 6 far 0 90 0 - 6.3-6.7 H THR 31 - HB2 LEU 6 far 0 61 0 - 7.2-7.7 H VAL 54 - HB2 LEU 6 far 0 73 0 - 7.3-7.9 H ALA 67 - HB2 LEU 6 far 0 90 0 - 9.2-9.5 H LEU 29 - HB2 LEU 6 far 0 100 0 - 9.4-9.8 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 3.6-3.7 4.0=100 H LYS 33 - HB3 LEU 6 far 0 99 0 - 7.4-7.8 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 2.6-2.6 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 6 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 - 5.9-6.3 HB2 LEU 57 - HB3 LEU 6 far 0 96 0 - 7.7-7.9 HB2 LEU 29 - HB3 LEU 6 far 0 92 0 - 8.2-8.7 HG2 LYS 40 - HB3 LEU 6 far 0 90 0 - 9.7-11.4 QG2 THR 34 - HB3 LEU 6 far 0 100 0 - 9.7-10.0 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): 1 out of 8 assignments used, quality = 1.00: * HG LEU 6 + HB3 LEU 6 OK 100 100 100 100 3.0-3.0 3.0=100 HG12 ILE 56 - HB3 LEU 6 far 0 100 0 - 4.8-5.3 HB ILE 7 - HB3 LEU 6 far 0 100 0 - 5.8-6.0 HG3 ARG 30 - HB3 LEU 6 far 0 100 0 - 6.6-7.7 HG LEU 57 - HB3 LEU 6 far 0 87 0 - 7.9-8.2 HG3 LYS 33 - HB3 LEU 6 far 0 91 0 - 8.6-9.1 HG3 ARG 79 - HB3 LEU 6 far 0 99 0 - 8.9-12.8 HG2 LYS 33 - HB3 LEU 6 far 0 88 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 206 from cnoeabs.peaks (0.69, 1.65, 44.10 ppm; 3.55 A): 2 out of 13 assignments used, quality = 1.00: * QD2 LEU 6 + HB3 LEU 6 OK 100 100 100 100 2.3-2.4 3.1=100 HG13 ILE 56 + HB3 LEU 6 OK 77 81 100 95 3.4-3.8 3.2/10672=48, 198/1.8=32...(10) QD1 ILE 8 - HB3 LEU 6 far 0 88 0 - 3.9-4.3 QD1 ILE 56 - HB3 LEU 6 far 0 91 0 - 4.6-4.9 QG1 VAL 5 - HB3 LEU 6 far 0 57 0 - 4.9-5.3 QG1 VAL 58 - HB3 LEU 6 far 0 70 0 - 5.6-6.0 QG2 VAL 54 - HB3 LEU 6 far 0 73 0 - 6.1-6.7 QD1 LEU 42 - HB3 LEU 6 far 0 100 0 - 6.4-6.7 QD1 LEU 29 - HB3 LEU 6 far 0 71 0 - 6.5-6.9 QG2 VAL 78 - HB3 LEU 6 far 0 68 0 - 6.9-7.6 QG2 VAL 58 - HB3 LEU 6 far 0 99 0 - 8.0-8.4 QD2 LEU 14 - HB3 LEU 6 far 0 90 0 - 8.4-8.9 QD1 ILE 52 - HB3 LEU 6 far 0 99 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 207 from cnoeabs.peaks (0.77, 1.65, 44.10 ppm; 3.54 A): 1 out of 16 assignments used, quality = 1.00: * QD1 LEU 6 + HB3 LEU 6 OK 100 100 100 100 2.3-2.6 3.1=100 QG1 VAL 54 - HB3 LEU 6 far 0 99 0 - 3.9-4.4 QG2 ILE 7 - HB3 LEU 6 far 0 81 0 - 5.0-5.1 QD2 LEU 57 - HB3 LEU 6 far 0 85 0 - 5.4-6.4 QG2 ILE 8 - HB3 LEU 6 far 0 96 0 - 5.7-6.4 QD2 LEU 42 - HB3 LEU 6 far 0 100 0 - 5.8-6.2 QG1 VAL 78 - HB3 LEU 6 far 0 85 0 - 6.7-7.2 QG2 ILE 15 - HB3 LEU 6 far 0 59 0 - 7.8-8.6 QD1 ILE 93 - HB3 LEU 6 far 0 100 0 - 8.4-9.2 QD1 LEU 64 - HB3 LEU 6 far 0 79 0 - 8.6-9.3 QD1 ILE 76 - HB3 LEU 6 far 0 77 0 - 8.7-9.1 QD1 ILE 15 - HB3 LEU 6 far 0 99 0 - 8.7-9.6 HG13 ILE 15 - HB3 LEU 6 far 0 96 0 - 8.9-10.7 QG2 ILE 93 - HB3 LEU 6 far 0 92 0 - 9.4-9.9 QD2 LEU 70 - HB3 LEU 6 far 0 63 0 - 9.5-10.3 HG13 ILE 93 - HB3 LEU 6 far 0 82 0 - 9.6-10.5 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 6 assignments used, quality = 1.00: * H ILE 7 + HB3 LEU 6 OK 100 100 100 100 3.4-3.7 4.3=100 H VAL 32 + HB3 LEU 6 OK 80 90 100 89 4.6-5.0 4.0/10160=69...(4) H THR 31 - HB3 LEU 6 far 0 61 0 - 5.9-6.4 H VAL 54 - HB3 LEU 6 far 0 73 0 - 9.0-9.6 H ALA 67 - HB3 LEU 6 far 0 90 0 - 9.1-9.6 H LEU 29 - HB3 LEU 6 far 0 100 0 - 9.4-9.9 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 3.2-3.6 6066=100, 6065/3.0=68...(12) H LEU 6 - HG3 ARG 79 far 0 81 0 - 6.5-10.5 H LEU 6 - HG2 ARG 79 far 0 82 0 - 7.8-10.2 H LYS 33 - HG LEU 6 far 0 99 0 - 9.6-9.7 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 2.7-2.9 3.7=100 HA LEU 6 - HG3 ARG 79 far 0 81 0 - 9.4-13.3 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 2.5-2.6 3.0=100 QG2 THR 31 - HG LEU 6 far 0 59 0 - 6.8-7.2 HB2 LEU 29 - HG LEU 6 far 0 92 0 - 7.0-7.5 HB2 LEU 6 - HG3 ARG 79 far 0 81 0 - 7.3-11.2 HB3 LEU 3 - HG LEU 2 far 0 60 0 - 8.0-8.3 HB2 LEU 57 - HG3 ARG 79 far 0 74 0 - 8.4-11.7 HB2 LEU 6 - HG2 ARG 79 far 0 82 0 - 8.9-11.3 HB2 LEU 57 - HG2 ARG 79 far 0 75 0 - 9.0-11.3 HG2 LYS 40 - HG LEU 6 far 0 90 0 - 9.2-10.8 HB3 LEU 3 - HG3 ARG 79 far 0 56 0 - 9.4-11.5 HB3 LEU 3 - HG2 ARG 79 far 0 57 0 - 9.4-11.3 HB3 LEU 3 - HG LEU 6 far 0 77 0 - 9.5-9.7 HB2 LEU 57 - HG LEU 6 far 0 96 0 - 9.5-9.7 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 17 assignments used, quality = 1.00: * HB3 LEU 6 + HG LEU 6 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 ARG 79 + HG2 ARG 79 OK 81 81 100 100 2.2-2.4 3.0=100 HB3 ARG 79 + HG3 ARG 79 OK 80 80 100 100 2.5-2.9 3.0=100 HB ILE 52 - HG LEU 2 far 0 72 0 - 3.6-5.1 HB3 LYS 53 - HG LEU 2 far 0 49 0 - 7.1-8.7 HB3 LYS 53 - HG2 ARG 79 far 0 45 0 - 7.2-8.5 HB3 LYS 53 - HG3 ARG 79 far 0 45 0 - 7.3-9.1 HD3 LYS 68 - HG3 ARG 79 far 0 81 0 - 8.6-10.7 HD2 LYS 68 - HG3 ARG 79 far 0 81 0 - 8.7-10.9 HB3 LEU 6 - HG3 ARG 79 far 0 81 0 - 8.9-12.8 HB2 LYS 40 - HG LEU 6 far 0 100 0 - 9.0-10.0 HB3 LYS 53 - HG LEU 6 far 0 63 0 - 9.5-10.3 HB ILE 76 - HG LEU 6 far 0 100 0 - 9.6-10.2 HD2 LYS 68 - HG2 ARG 79 far 0 82 0 - 9.6-12.4 HB3 ARG 79 - HG LEU 6 far 0 100 0 - 9.7-11.3 HB ILE 76 - HG3 ARG 79 far 0 81 0 - 9.9-11.6 HG2 LYS 68 - HG3 ARG 79 far 0 80 0 - 10.0-10.6 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): 1 out of 32 assignments used, quality = 1.00: * QD2 LEU 6 + HG LEU 6 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 54 - HG LEU 6 far 0 73 0 - 3.8-4.9 HG13 ILE 56 - HG LEU 6 far 0 81 0 - 4.2-4.8 QD1 ILE 52 - HG LEU 2 far 0 85 0 - 4.4-5.8 QG1 VAL 5 - HG LEU 6 far 0 57 0 - 4.7-5.2 QG2 VAL 78 - HG3 ARG 79 far 0 48 0 - 4.7-6.0 QD1 ILE 56 - HG3 ARG 79 far 0 68 0 - 5.2-7.6 QD1 ILE 56 - HG LEU 6 far 0 91 0 - 5.3-5.8 QG1 VAL 5 - HG3 ARG 79 far 0 40 0 - 6.0-9.2 QG2 VAL 78 - HG2 ARG 79 far 0 49 0 - 6.0-6.9 QD1 LEU 29 - HG LEU 6 far 0 71 0 - 6.2-6.7 QD1 ILE 8 - HG LEU 6 far 0 88 0 - 6.4-6.7 HG13 ILE 56 - HG3 ARG 79 far 0 59 0 - 6.4-9.7 QD1 LEU 42 - HG LEU 6 far 0 100 0 - 6.5-6.9 QG1 VAL 5 - HG2 ARG 79 far 0 41 0 - 6.7-8.6 QD1 ILE 56 - HG2 ARG 79 far 0 69 0 - 6.7-8.4 QD1 ILE 52 - HG LEU 6 far 0 99 0 - 6.7-8.0 QG2 VAL 54 - HG3 ARG 79 far 0 53 0 - 6.8-9.2 QG2 VAL 78 - HG LEU 6 far 0 68 0 - 6.8-7.6 QG1 VAL 58 - HG3 ARG 79 far 0 49 0 - 7.6-9.8 QG2 VAL 54 - HG LEU 2 far 0 57 0 - 7.6-8.6 QG2 VAL 54 - HG2 ARG 79 far 0 53 0 - 7.8-9.1 QG1 VAL 58 - HG LEU 6 far 0 70 0 - 7.9-8.2 HG13 ILE 56 - HG2 ARG 79 far 0 60 0 - 8.1-10.2 QG2 VAL 58 - HG3 ARG 79 far 0 78 0 - 8.5-10.3 QG1 VAL 58 - HG2 ARG 79 far 0 50 0 - 8.6-10.3 QD1 ILE 8 - HG3 ARG 79 far 0 66 0 - 8.8-11.4 QD2 LEU 6 - HG3 ARG 79 far 0 81 0 - 9.1-12.3 QD1 LEU 42 - HG3 ARG 79 far 0 81 0 - 9.2-11.4 QG2 VAL 58 - HG2 ARG 79 far 0 79 0 - 9.2-10.6 QD1 LEU 29 - HG3 ARG 79 far 0 51 0 - 9.4-12.8 QD1 LEU 29 - HG2 ARG 79 far 0 52 0 - 9.9-12.1 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 44 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 85 99 100 86 2.2-2.9 10209=36, 6068/6066=32...(13) QD2 LEU 2 + HG LEU 2 OK 47 47 100 100 2.1-2.1 2.1=100 HG3 ARG 81 - HG3 ARG 79 far 0 54 0 - 3.9-8.9 HG3 ARG 81 - HG2 ARG 79 far 0 55 0 - 4.1-8.8 QD2 LEU 57 - HG3 ARG 79 far 0 63 0 - 4.2-7.6 QD2 LEU 57 - HG2 ARG 79 far 0 64 0 - 4.5-7.2 QG2 ILE 52 - HG LEU 2 far 0 85 0 - 5.0-6.2 QD2 LEU 42 - HG LEU 6 far 0 100 0 - 5.0-5.4 QG1 VAL 54 - HG3 ARG 79 far 0 79 0 - 5.3-8.4 QG1 VAL 78 - HG LEU 6 far 0 85 0 - 5.8-6.4 QG1 VAL 78 - HG3 ARG 79 far 0 63 0 - 6.0-7.5 QD2 LEU 57 - HG LEU 6 far 0 85 0 - 6.0-7.3 QD1 LEU 64 - HG3 ARG 79 far 0 57 0 - 6.2-7.4 QG2 ILE 7 - HG LEU 6 far 0 81 0 - 6.3-6.6 QG1 VAL 54 - HG2 ARG 79 far 0 80 0 - 6.6-8.4 QD1 LEU 64 - HG2 ARG 79 far 0 58 0 - 7.0-8.0 QG1 VAL 78 - HG2 ARG 79 far 0 64 0 - 7.1-7.9 QD1 LEU 6 - HG3 ARG 79 far 0 81 0 - 7.5-10.4 QD1 ILE 76 - HG LEU 6 far 0 77 0 - 7.6-8.1 QD2 LEU 42 - HG3 ARG 79 far 0 81 0 - 7.8-10.1 QG2 ILE 52 - HG LEU 6 far 0 99 0 - 8.0-8.7 QG2 ILE 8 - HG LEU 6 far 0 96 0 - 8.2-8.8 QD1 ILE 93 - HG LEU 6 far 0 100 0 - 8.4-9.3 QD1 LEU 27 - HG LEU 6 far 0 100 0 - 8.4-8.9 QD1 LEU 27 - HG2 ARG 79 far 0 82 0 - 8.5-9.9 QG2 ILE 93 - HG LEU 6 far 0 92 0 - 8.6-9.2 QD1 LEU 27 - HG3 ARG 79 far 0 81 0 - 8.7-10.5 QG2 ILE 15 - HG LEU 6 far 0 59 0 - 8.8-9.7 QD1 LEU 6 - HG2 ARG 79 far 0 82 0 - 8.9-10.7 QG2 ILE 93 - HG2 ARG 79 far 0 70 0 - 9.0-10.5 QD1 LEU 27 - HG LEU 2 far 0 87 0 - 9.0-9.9 QG2 ILE 52 - HG3 ARG 79 far 0 79 0 - 9.1-11.4 QG2 ILE 93 - HG3 ARG 79 far 0 69 0 - 9.1-11.3 QD2 LEU 42 - HG2 ARG 79 far 0 82 0 - 9.1-10.5 QD1 ILE 93 - HG3 ARG 79 far 0 81 0 - 9.4-11.9 HG13 ILE 93 - HG2 ARG 79 far 0 61 0 - 9.5-10.8 HG13 ILE 93 - HG LEU 6 far 0 82 0 - 9.5-10.6 HG13 ILE 93 - HG3 ARG 79 far 0 60 0 - 9.6-12.0 QD1 ILE 93 - HG2 ARG 79 far 0 82 0 - 9.6-11.0 QG1 VAL 78 - HG LEU 2 far 0 68 0 - 9.7-11.3 QG1 VAL 54 - HG LEU 2 far 0 84 0 - 9.7-10.6 QD1 ILE 76 - HG3 ARG 79 far 0 56 0 - 9.7-11.7 QG2 ILE 52 - HG2 ARG 79 far 0 80 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 216 from cnoeabs.peaks (8.46, 1.52, 27.00 ppm; 5.24 A increased from 4.66 A): 2 out of 12 assignments used, quality = 1.00: * H ILE 7 + HG LEU 6 OK 100 100 100 100 4.8-5.1 6072/3.7=93, 6074/3.0=86...(7) H LYS 53 + HG LEU 2 OK 22 84 35 74 5.0-6.6 9184/3.0=34...(6) H VAL 54 - HG3 ARG 79 far 0 53 0 - 5.9-8.5 H THR 31 - HG LEU 6 far 0 61 0 - 6.0-6.6 H VAL 32 - HG LEU 6 far 0 90 0 - 6.8-7.2 H VAL 54 - HG2 ARG 79 far 0 53 0 - 6.9-8.2 H VAL 54 - HG LEU 6 far 0 73 0 - 7.1-7.8 H LEU 29 - HG LEU 6 far 0 100 0 - 7.6-8.1 H VAL 54 - HG LEU 2 far 0 57 0 - 9.1-10.5 H LYS 53 - HG LEU 6 far 0 99 0 - 9.1-9.7 H LYS 53 - HG3 ARG 79 far 0 79 0 - 9.1-11.4 H LYS 53 - HG2 ARG 79 far 0 80 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 217 from cnoeabs.peaks (9.31, 0.69, 24.21 ppm; 4.73 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 6 + QD2 LEU 6 OK 100 100 100 100 4.1-4.3 4.6=100 H LYS 33 - QD2 LEU 6 far 0 99 0 - 6.0-6.2 H LEU 6 - QD2 LEU 14 far 0 72 0 - 8.4-8.8 H LYS 33 - QD2 LEU 14 far 0 69 0 - 9.4-9.8 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 2.0-2.2 190=68, 6072/6076=40...(13) HA LEU 6 - QD2 LEU 14 far 0 72 0 - 8.0-8.4 Violated in 0 structures by 0.00 A. Peak 219 from cnoeabs.peaks (1.18, 0.69, 24.21 ppm; 3.72 A): 1 out of 12 assignments used, quality = 1.00: * HB2 LEU 6 + QD2 LEU 6 OK 100 100 100 100 3.2-3.2 3.1=100 HB2 LEU 57 - QD2 LEU 14 far 0 65 0 - 4.3-4.9 QG2 THR 31 - QD2 LEU 6 far 0 59 0 - 4.6-4.8 QG2 THR 31 - QD2 LEU 14 far 0 36 0 - 5.0-5.4 HG2 LYS 40 - QD2 LEU 6 far 0 90 0 - 6.2-7.8 HB2 LEU 29 - QD2 LEU 6 far 0 92 0 - 6.3-6.8 QG2 THR 34 - QD2 LEU 6 far 0 100 0 - 8.1-8.3 HB2 LEU 57 - QD2 LEU 6 far 0 96 0 - 8.3-8.5 HB2 LEU 6 - QD2 LEU 14 far 0 72 0 - 9.0-9.5 HB2 LEU 29 - QD2 LEU 14 far 0 61 0 - 9.2-9.8 HB3 LEU 3 - QD2 LEU 6 far 0 77 0 - 9.5-10.0 QG2 THR 34 - QD2 LEU 14 far 0 72 0 - 9.8-10.5 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 12 assignments used, quality = 1.00: * HB3 LEU 6 + QD2 LEU 6 OK 100 100 100 100 2.3-2.4 3.1=100 HB2 LYS 40 - QD2 LEU 6 far 0 100 0 - 6.0-7.0 HB3 LYS 40 - QD2 LEU 6 far 0 68 0 - 7.5-7.9 HB3 LEU 6 - QD2 LEU 14 far 0 72 0 - 8.4-8.9 HD2 LYS 20 - QD2 LEU 14 far 0 50 0 - 8.4-10.0 HD3 LYS 20 - QD2 LEU 14 far 0 54 0 - 8.7-10.9 HG3 LYS 20 - QD2 LEU 14 far 0 54 0 - 9.0-10.9 HB ILE 76 - QD2 LEU 6 far 0 100 0 - 9.2-9.6 HB3 ARG 91 - QD2 LEU 14 far 0 43 0 - 9.4-10.2 HB3 ARG 79 - QD2 LEU 6 far 0 100 0 - 9.9-11.1 HB3 LYS 53 - QD2 LEU 6 far 0 63 0 - 9.9-10.6 HD2 LYS 39 - QD2 LEU 6 far 0 100 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 221 from cnoeabs.peaks (1.52, 0.69, 24.21 ppm; 3.14 A): 2 out of 16 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 2.9-3.1 3.1=100 HG3 ARG 30 - QD2 LEU 6 poor 20 100 20 - 3.1-4.1 HB ILE 7 - QD2 LEU 14 far 0 72 0 - 4.5-4.9 HB ILE 7 - QD2 LEU 6 far 0 100 0 - 5.6-5.8 HG12 ILE 56 - QD2 LEU 6 far 0 100 0 - 5.7-6.2 HG LEU 57 - QD2 LEU 14 far 0 56 0 - 5.8-6.4 HG3 LYS 33 - QD2 LEU 6 far 0 91 0 - 7.1-7.3 HG2 LYS 33 - QD2 LEU 6 far 0 88 0 - 7.3-7.6 HB3 GLU 28 - QD2 LEU 6 far 0 61 0 - 7.4-8.0 HG3 LYS 13 - QD2 LEU 14 far 0 51 0 - 7.5-8.0 HG LEU 57 - QD2 LEU 6 far 0 87 0 - 8.3-8.5 HG3 LYS 33 - QD2 LEU 14 far 0 60 0 - 8.4-8.7 HG3 ARG 79 - QD2 LEU 6 far 0 99 0 - 9.1-12.3 HB3 LEU 64 - QD2 LEU 14 far 0 42 0 - 9.4-9.9 HG2 LYS 33 - QD2 LEU 14 far 0 58 0 - 9.8-10.1 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): 2 out of 32 assignments used, quality = 1.00: * QD1 LEU 6 + QD2 LEU 6 OK 100 100 100 100 2.0-2.1 2.1=100 HG13 ILE 15 + QD2 LEU 14 OK 47 65 95 77 2.3-3.3 670/12021=20...(15) QD1 ILE 15 - QD2 LEU 14 far 0 69 0 - 3.5-4.1 QG1 VAL 54 - QD2 LEU 6 far 0 99 0 - 3.6-4.0 QG2 ILE 7 - QD2 LEU 14 far 0 51 0 - 3.6-3.9 QG2 ILE 15 - QD2 LEU 14 far 0 36 0 - 4.3-4.7 QG2 ILE 7 - QD2 LEU 6 far 0 81 0 - 4.4-4.6 QD2 LEU 42 - QD2 LEU 6 far 0 100 0 - 4.9-5.3 QG2 ILE 8 - QD2 LEU 14 far 0 65 0 - 5.2-5.7 QD1 ILE 93 - QD2 LEU 14 far 0 72 0 - 5.5-6.0 QG2 ILE 8 - QD2 LEU 6 far 0 96 0 - 5.8-6.6 QD2 LEU 57 - QD2 LEU 6 far 0 85 0 - 5.9-7.0 QD2 LEU 57 - QD2 LEU 14 far 0 55 0 - 6.1-6.6 QG1 VAL 78 - QD2 LEU 6 far 0 85 0 - 6.2-6.6 QG2 ILE 15 - QD2 LEU 6 far 0 59 0 - 6.5-7.0 QD1 ILE 76 - QD2 LEU 6 far 0 77 0 - 7.1-7.4 HG13 ILE 93 - QD2 LEU 14 far 0 53 0 - 7.3-8.2 QD1 ILE 93 - QD2 LEU 6 far 0 100 0 - 7.4-8.2 QD1 ILE 15 - QD2 LEU 6 far 0 99 0 - 7.5-8.2 HG3 ARG 81 - QD2 LEU 14 far 0 47 0 - 7.7-10.9 HG13 ILE 15 - QD2 LEU 6 far 0 96 0 - 8.0-9.5 QG2 ILE 93 - QD2 LEU 6 far 0 92 0 - 8.0-8.6 QG2 ILE 52 - QD2 LEU 6 far 0 99 0 - 8.0-8.6 QG2 ILE 93 - QD2 LEU 14 far 0 61 0 - 8.1-8.6 QD1 LEU 27 - QD2 LEU 6 far 0 100 0 - 8.2-8.6 QD2 LEU 70 - QD2 LEU 6 far 0 63 0 - 8.3-9.0 QD1 LEU 64 - QD2 LEU 14 far 0 50 0 - 8.5-8.9 HG13 ILE 93 - QD2 LEU 6 far 0 82 0 - 8.9-9.7 QD1 LEU 64 - QD2 LEU 6 far 0 79 0 - 9.1-9.7 QD1 LEU 6 - QD2 LEU 14 far 0 72 0 - 9.1-9.5 QG1 VAL 54 - QD2 LEU 14 far 0 70 0 - 9.4-10.0 QD2 LEU 2 - QD2 LEU 6 far 0 61 0 - 9.9-11.0 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 3.2-3.6 6072/218=74, 6076=74...(9) H VAL 32 + QD2 LEU 6 OK 67 90 100 74 4.0-4.3 10514=28, 4.0/8942=27...(6) H THR 31 + QD2 LEU 6 OK 57 61 100 92 3.5-3.9 4.7/8717=41...(10) H ILE 7 - QD2 LEU 14 far 0 72 0 - 6.3-6.7 H LEU 29 - QD2 LEU 6 far 0 100 0 - 6.6-7.0 H VAL 32 - QD2 LEU 14 far 0 59 0 - 6.7-7.1 H VAL 54 - QD2 LEU 6 far 0 73 0 - 7.9-8.5 H THR 31 - QD2 LEU 14 far 0 37 0 - 8.9-9.4 H LYS 53 - QD2 LEU 6 far 0 99 0 - 9.4-10.0 H ALA 67 - QD2 LEU 6 far 0 90 0 - 9.4-9.9 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 3.9-4.3 4.6=100 H LEU 6 + QD2 LEU 57 OK 49 68 100 73 3.1-4.7 9333/6940=50, ~10372=14...(7) H LYS 33 - QD1 LEU 6 far 0 99 0 - 7.1-7.7 Violated in 0 structures by 0.00 A. Peak 226 from cnoeabs.peaks (5.47, 0.77, 25.58 ppm; 4.46 A): 1 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 far 0 68 0 - 4.8-6.5 Violated in 0 structures by 0.00 A. Peak 227 from cnoeabs.peaks (1.18, 0.77, 25.58 ppm; 3.33 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LEU 6 + QD1 LEU 6 OK 100 100 100 100 2.0-2.4 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 - 4.7-5.6 HB2 LEU 29 - QD2 LEU 57 far 0 57 0 - 6.4-8.4 HG2 LYS 40 - QD1 LEU 6 far 0 90 0 - 6.6-7.9 QG2 THR 31 - QD1 LEU 6 far 0 59 0 - 6.7-6.9 QG2 THR 31 - QD2 LEU 57 far 0 33 0 - 6.7-8.1 HB2 LEU 29 - QD1 LEU 6 far 0 92 0 - 7.9-8.3 HB3 LEU 3 - QD2 LEU 57 far 0 45 0 - 8.0-9.4 HB2 LEU 57 - QD1 LEU 6 far 0 96 0 - 8.5-8.7 QG2 THR 34 - QD1 LEU 6 far 0 100 0 - 8.6-9.1 HB3 LEU 3 - QD1 LEU 6 far 0 77 0 - 9.1-9.6 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 20 assignments used, quality = 1.00: * HB3 LEU 6 + QD1 LEU 6 OK 100 100 100 100 2.3-2.6 3.1=100 HB3 ARG 79 - QD2 LEU 57 far 0 67 0 - 4.2-5.5 HB3 LEU 6 - QD2 LEU 57 far 0 68 0 - 5.4-6.4 HB2 LYS 40 - QD1 LEU 6 far 0 100 0 - 6.1-7.0 HB ILE 76 - QD1 LEU 6 far 0 100 0 - 6.7-7.1 HB3 LYS 40 - QD1 LEU 6 far 0 68 0 - 7.4-7.9 HB3 ARG 91 - QD2 LEU 57 far 0 40 0 - 7.5-7.9 HD3 LYS 68 - QD2 LEU 57 far 0 68 0 - 8.3-10.3 HB3 ARG 79 - QD1 LEU 6 far 0 100 0 - 8.3-9.3 HB3 LYS 53 - QD1 LEU 6 far 0 63 0 - 8.5-9.4 HD2 LYS 39 - QD1 LEU 6 far 0 100 0 - 8.5-9.3 HD2 LYS 68 - QD2 LEU 57 far 0 67 0 - 8.6-11.3 HB3 LYS 53 - QD2 LEU 57 far 0 36 0 - 8.6-9.2 HB ILE 52 - QD1 LEU 6 far 0 90 0 - 9.1-9.8 HG2 LYS 68 - QD2 LEU 57 far 0 67 0 - 9.1-10.3 HD3 LYS 39 - QD1 LEU 6 far 0 100 0 - 9.2-9.7 HG3 LYS 47 - QD1 LEU 6 far 0 84 0 - 9.5-11.4 HG2 LYS 68 - QD1 LEU 6 far 0 100 0 - 9.6-10.1 HD2 LYS 94 - QD2 LEU 57 far 0 53 0 - 9.8-12.0 HD3 LYS 47 - QD1 LEU 6 far 0 71 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 229 from cnoeabs.peaks (1.52, 0.77, 25.58 ppm; 3.09 A): 2 out of 26 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 far 0 100 0 - 3.5-4.0 HB ILE 7 - QD2 LEU 57 far 0 68 0 - 4.1-6.0 HG3 ARG 79 - QD2 LEU 57 far 0 65 0 - 4.2-7.6 HG2 ARG 79 - QD2 LEU 57 far 0 66 0 - 4.5-7.2 HG3 ARG 30 - QD1 LEU 6 far 0 100 0 - 4.9-6.3 HG12 ILE 56 - QD2 LEU 57 far 0 67 0 - 5.1-5.2 HG LEU 6 - QD2 LEU 57 far 0 68 0 - 6.0-7.3 HB3 LEU 64 - QD2 LEU 57 far 0 38 0 - 6.5-8.1 HB ILE 7 - QD1 LEU 6 far 0 100 0 - 7.2-7.3 HG3 ARG 79 - QD1 LEU 6 far 0 99 0 - 7.5-10.4 HB3 LEU 103 - QD2 LEU 57 far 0 68 0 - 8.2-19.3 HB3 GLU 28 - QD1 LEU 6 far 0 61 0 - 8.2-8.8 HG LEU 57 - QD1 LEU 6 far 0 87 0 - 8.4-8.7 HG3 LYS 33 - QD1 LEU 6 far 0 91 0 - 8.7-9.2 HB2 ARG 91 - QD2 LEU 57 far 0 33 0 - 8.8-9.3 HG2 ARG 79 - QD1 LEU 6 far 0 99 0 - 8.9-10.7 HG2 LYS 33 - QD1 LEU 6 far 0 88 0 - 8.9-9.4 HD3 LYS 53 - QD2 LEU 57 far 0 49 0 - 9.1-10.0 HG3 ARG 30 - QD2 LEU 57 far 0 67 0 - 9.2-11.5 HB2 LEU 3 - QD2 LEU 57 far 0 48 0 - 9.4-10.8 HG2 LYS 47 - QD1 LEU 6 far 0 70 0 - 9.5-10.7 HB2 LEU 14 - QD2 LEU 57 far 0 68 0 - 9.6-10.3 HD3 LYS 53 - QD1 LEU 6 far 0 82 0 - 9.9-11.3 HB3 LEU 64 - QD1 LEU 6 far 0 68 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 230 from cnoeabs.peaks (0.69, 0.77, 25.58 ppm; 2.56 A): 2 out of 27 assignments used, quality = 1.00: * QD2 LEU 6 + QD1 LEU 6 OK 100 100 100 100 2.0-2.1 2.1=100 HG13 ILE 56 + QD1 LEU 6 OK 39 81 100 48 2.4-2.8 198/3.1=12, 206/3.1=11...(8) QG1 VAL 5 - QD2 LEU 57 far 2 32 5 - 1.9-3.6 QG2 VAL 54 - QD1 LEU 6 far 0 73 0 - 3.1-3.8 QD1 ILE 56 - QD1 LEU 6 far 0 91 0 - 3.2-3.4 QD1 LEU 42 - QD1 LEU 6 far 0 100 0 - 3.8-4.1 QD1 ILE 8 - QD1 LEU 6 far 0 88 0 - 4.4-4.7 QD1 LEU 29 - QD2 LEU 57 far 0 41 0 - 4.5-6.2 QG1 VAL 58 - QD2 LEU 57 far 0 40 0 - 4.6-5.1 QG2 VAL 78 - QD1 LEU 6 far 0 68 0 - 4.7-5.3 QG2 VAL 58 - QD2 LEU 57 far 0 64 0 - 4.8-5.7 QG1 VAL 5 - QD1 LEU 6 far 0 57 0 - 5.2-5.7 HG13 ILE 56 - QD2 LEU 57 far 0 48 0 - 5.4-5.6 QD1 ILE 56 - QD2 LEU 57 far 0 56 0 - 5.4-5.7 QD1 ILE 52 - QD1 LEU 6 far 0 99 0 - 5.5-6.7 QD1 ILE 8 - QD2 LEU 57 far 0 54 0 - 5.7-6.2 QG1 VAL 58 - QD1 LEU 6 far 0 70 0 - 5.9-6.3 QD2 LEU 6 - QD2 LEU 57 far 0 68 0 - 5.9-7.0 QG2 VAL 78 - QD2 LEU 57 far 0 38 0 - 6.1-6.5 QD2 LEU 14 - QD2 LEU 57 far 0 55 0 - 6.1-6.6 QD1 LEU 14 - QD2 LEU 57 far 0 66 0 - 6.6-7.0 QG2 VAL 54 - QD2 LEU 57 far 0 42 0 - 6.7-7.5 QD1 LEU 29 - QD1 LEU 6 far 0 71 0 - 6.8-7.1 QG2 VAL 58 - QD1 LEU 6 far 0 99 0 - 7.8-8.3 QD1 LEU 42 - QD2 LEU 57 far 0 68 0 - 8.5-9.1 QD2 LEU 14 - QD1 LEU 6 far 0 90 0 - 9.1-9.5 QD1 ILE 52 - QD2 LEU 57 far 0 66 0 - 9.8-10.9 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; 5.61 A increased from 4.72 A): 1 out of 14 assignments used, quality = 1.00: * H ILE 7 + QD1 LEU 6 OK 100 100 100 100 5.1-5.4 6072/4.0=94, 6074/3.1=90...(6) H VAL 32 - QD1 LEU 6 poor 15 90 25 67 5.9-6.1 10514/2.1=48, 208/3.1=35 H VAL 54 - QD1 LEU 6 far 4 73 5 - 5.8-6.6 H ILE 7 - QD2 LEU 57 far 3 68 5 - 4.6-6.4 H THR 31 - QD1 LEU 6 far 0 61 0 - 6.1-6.5 H VAL 54 - QD2 LEU 57 far 0 42 0 - 7.4-8.2 H VAL 32 - QD2 LEU 57 far 0 55 0 - 7.6-8.9 H ALA 67 - QD1 LEU 6 far 0 90 0 - 7.8-8.3 H LYS 53 - QD1 LEU 6 far 0 99 0 - 8.0-8.7 H LEU 29 - QD1 LEU 6 far 0 100 0 - 8.3-8.7 H LEU 29 - QD2 LEU 57 far 0 67 0 - 8.6-10.5 H ALA 67 - QD2 LEU 57 far 0 55 0 - 8.8-9.5 H THR 31 - QD2 LEU 57 far 0 35 0 - 8.8-10.5 H LYS 53 - QD2 LEU 57 far 0 66 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 233 from cnoeabs.peaks (8.46, 5.13, 58.46 ppm; 4.31 A): 1 out of 3 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 far 0 90 0 - 5.0-5.3 H THR 31 - HA ILE 7 far 0 61 0 - 7.6-7.7 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 9 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 far 0 91 0 - 4.5-4.9 HG LEU 6 - HA ILE 7 far 0 100 0 - 6.7-6.8 HG12 ILE 56 - HA ILE 7 far 0 99 0 - 7.2-7.5 HG3 LYS 33 - HA ILE 7 far 0 94 0 - 9.1-9.3 HB2 LEU 14 - HA ILE 7 far 0 100 0 - 9.1-9.8 HG3 ARG 79 - HA ILE 7 far 0 98 0 - 9.2-13.0 HB3 LEU 64 - HA ILE 7 far 0 73 0 - 9.5-9.9 HG3 ARG 30 - HA ILE 7 far 0 99 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 236 from cnoeabs.peaks (0.80, 5.13, 58.46 ppm; 3.52 A): 1 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 far 5 100 5 - 3.5-4.7 QD1 LEU 57 - HA ILE 7 far 0 79 0 - 5.0-5.2 QG2 VAL 32 - HA ILE 7 far 0 71 0 - 5.3-5.6 QG2 ILE 8 - HA ILE 7 far 0 98 0 - 5.4-5.4 QD2 LEU 38 - HA ILE 7 far 0 87 0 - 5.4-5.8 QG2 ILE 15 - HA ILE 7 far 0 99 0 - 5.7-6.5 QD1 ILE 93 - HA ILE 7 far 0 79 0 - 5.9-6.4 QD1 LEU 6 - HA ILE 7 far 0 81 0 - 6.3-6.4 QG1 VAL 54 - HA ILE 7 far 0 63 0 - 6.5-7.0 QD1 ILE 15 - HA ILE 7 far 0 59 0 - 6.5-7.4 QD2 LEU 42 - HA ILE 7 far 0 73 0 - 9.4-9.7 QD1 LEU 27 - HA ILE 7 far 0 77 0 - 9.7-10.1 QD1 LEU 70 - HA ILE 7 far 0 95 0 - 9.9-10.9 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 5 assignments used, quality = 1.00: * HG12 ILE 7 + HA ILE 7 OK 100 100 100 100 2.2-2.4 3.9=96, 2.1/239=70...(16) HG LEU 29 - HA ILE 7 far 0 99 0 - 5.6-6.2 QB ALA 22 - HA ILE 7 far 0 99 0 - 7.4-8.1 HG LEU 38 - HA ILE 7 far 0 68 0 - 8.3-8.9 HB2 LEU 38 - HA ILE 7 far 0 75 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 238 from cnoeabs.peaks (0.89, 5.13, 58.46 ppm; 4.05 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 7 + HA ILE 7 OK 100 100 100 100 2.8-3.5 3.9=100 HG13 ILE 8 - HA ILE 7 far 15 100 15 - 3.4-5.5 QG1 VAL 32 - HA ILE 7 far 0 97 0 - 6.5-6.8 QD1 LEU 38 - HA ILE 7 far 0 71 0 - 7.4-7.9 Violated in 0 structures by 0.00 A. Peak 239 from cnoeabs.peaks (0.62, 5.13, 58.46 ppm; 3.88 A): 1 out of 5 assignments used, quality = 1.00: * QD1 ILE 7 + HA ILE 7 OK 100 100 100 100 3.1-3.8 4.2=81, 2.1/237=69...(13) QG2 ILE 56 - HA ILE 7 far 0 91 0 - 4.3-4.6 QD1 LEU 29 - HA ILE 7 far 0 71 0 - 4.8-5.3 QD2 LEU 29 - HA ILE 7 far 0 90 0 - 5.3-6.3 QG2 VAL 54 - HA ILE 7 far 0 70 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 240 from cnoeabs.peaks (8.80, 5.13, 58.46 ppm; 3.13 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 8 + HA ILE 7 OK 100 100 100 100 2.2-2.2 6087=100, 256/3.0=36...(18) H SER 59 - HA ILE 7 far 0 100 0 - 7.2-7.6 H ARG 81 - HA ILE 7 far 0 59 0 - 7.3-7.6 H ALA 22 - HA ILE 7 far 0 94 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 241 from cnoeabs.peaks (8.46, 1.52, 41.02 ppm; 3.76 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 7 + HB ILE 7 OK 100 100 100 100 2.6-2.7 6079=100, 6080/2.1=85...(13) H VAL 32 - HB ILE 7 far 0 90 0 - 5.4-5.7 H THR 31 - HB ILE 7 far 0 61 0 - 6.6-6.9 H LEU 29 - HB ILE 7 far 0 100 0 - 8.2-8.8 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 - 4.1-4.6 HA VAL 5 - HB ILE 7 far 0 85 0 - 6.4-6.9 HA ILE 7 - HB2 LEU 14 far 0 91 0 - 9.1-9.8 HA TYR 4 - HB ILE 7 far 0 98 0 - 9.6-10.0 HA VAL 54 - HB ILE 7 far 0 81 0 - 9.9-10.4 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): 1 out of 19 assignments used, quality = 1.00: * QG2 ILE 7 + HB ILE 7 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 15 - HB ILE 7 far 0 99 0 - 4.1-4.8 QD2 LEU 57 - HB ILE 7 far 0 100 0 - 4.1-6.0 QD1 ILE 93 - HB ILE 7 far 0 79 0 - 4.4-5.0 QD1 ILE 15 - HB2 LEU 14 far 0 49 0 - 5.5-5.9 QD1 LEU 57 - HB ILE 7 far 0 79 0 - 5.8-6.2 QD1 ILE 15 - HB ILE 7 far 0 59 0 - 5.9-6.6 QG2 VAL 32 - HB ILE 7 far 0 71 0 - 6.2-6.5 QG2 ILE 15 - HB2 LEU 14 far 0 88 0 - 6.7-6.9 QG2 ILE 7 - HB2 LEU 14 far 0 91 0 - 6.8-7.3 QG2 ILE 8 - HB ILE 7 far 0 98 0 - 6.9-7.0 QD2 LEU 38 - HB ILE 7 far 0 87 0 - 6.9-7.3 QG1 VAL 54 - HB ILE 7 far 0 63 0 - 7.2-7.8 QD1 LEU 6 - HB ILE 7 far 0 81 0 - 7.2-7.3 QD1 LEU 57 - HB2 LEU 14 far 0 66 0 - 7.9-8.8 QD1 ILE 93 - HB2 LEU 14 far 0 66 0 - 8.1-8.5 QG2 ILE 8 - HB2 LEU 14 far 0 87 0 - 8.7-9.3 QD1 LEU 27 - HB ILE 7 far 0 77 0 - 8.9-9.3 QD2 LEU 57 - HB2 LEU 14 far 0 91 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 245 from cnoeabs.peaks (1.42, 1.52, 41.02 ppm; 3.54 A): 1 out of 8 assignments used, quality = 1.00: * HG12 ILE 7 + HB ILE 7 OK 100 100 100 100 2.4-2.6 2.9=100 HG LEU 29 - HB ILE 7 far 15 99 15 - 3.8-4.4 QB ALA 22 - HB ILE 7 far 0 99 0 - 5.7-6.3 HG2 LYS 13 - HB2 LEU 14 far 0 90 0 - 6.3-7.1 HG12 ILE 7 - HB2 LEU 14 far 0 91 0 - 7.0-7.6 HG2 LYS 12 - HB2 LEU 14 far 0 78 0 - 8.6-9.2 HG2 LYS 20 - HB ILE 7 far 0 71 0 - 9.4-12.2 HB2 LEU 27 - HB ILE 7 far 0 71 0 - 9.6-10.2 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 2.3-3.0 2.9=100 HG13 ILE 8 - HB ILE 7 far 0 100 0 - 5.9-7.3 HG13 ILE 7 - HB2 LEU 14 far 0 91 0 - 6.5-7.2 QG1 VAL 32 - HB ILE 7 far 0 97 0 - 7.7-8.1 QD1 LEU 38 - HB ILE 7 far 0 71 0 - 8.9-9.3 Violated in 0 structures by 0.00 A. Peak 247 from cnoeabs.peaks (0.62, 1.52, 41.02 ppm; 3.43 A): 3 out of 8 assignments used, quality = 1.00: * QD1 ILE 7 + HB ILE 7 OK 100 100 100 100 2.3-3.2 3.2=100 QD1 LEU 29 + HB ILE 7 OK 54 71 100 75 2.8-3.4 ~10501=28, 10141=24...(8) QD2 LEU 29 + HB ILE 7 OK 34 90 45 85 3.4-4.4 10501/2.1=44...(7) QD1 ILE 7 - HB2 LEU 14 far 0 91 0 - 4.5-5.1 QG2 ILE 56 - HB ILE 7 far 0 91 0 - 6.3-6.6 QD1 LEU 29 - HB2 LEU 14 far 0 59 0 - 8.9-9.6 QD2 LEU 29 - HB2 LEU 14 far 0 77 0 - 9.2-10.0 QG2 VAL 54 - HB ILE 7 far 0 70 0 - 9.4-10.2 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 ALA 22 - HB ILE 7 far 0 94 0 - 7.5-8.2 H ILE 8 - HB2 LEU 14 far 0 91 0 - 8.3-9.0 H SER 59 - HB2 LEU 14 far 0 91 0 - 9.1-9.8 H SER 59 - HB ILE 7 far 0 100 0 - 9.1-9.7 H ARG 81 - HB ILE 7 far 0 59 0 - 9.3-9.7 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 2.2-2.3 6080=100, 6079/2.1=66...(11) H VAL 32 + QG2 ILE 7 OK 77 90 100 86 2.9-3.3 4.0/8282=41...(7) H THR 31 - QG2 ILE 7 far 0 61 0 - 4.3-4.6 H LEU 29 - QG2 ILE 7 far 0 100 0 - 7.3-7.8 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 - 6.8-7.2 HA TYR 4 - QG2 ILE 7 far 0 98 0 - 9.1-9.5 HA SER 85 - QG2 ILE 7 far 0 100 0 - 9.4-9.9 HA VAL 54 - QG2 ILE 7 far 0 81 0 - 9.6-10.0 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 HG3 LYS 33 - QG2 ILE 7 far 0 94 0 - 5.8-6.1 HG LEU 57 - QG2 ILE 7 far 0 91 0 - 6.0-6.6 HG LEU 6 - QG2 ILE 7 far 0 100 0 - 6.3-6.6 HB2 LEU 14 - QG2 ILE 7 far 0 100 0 - 6.8-7.3 HG3 ARG 30 - QG2 ILE 7 far 0 99 0 - 6.8-7.6 HG2 LYS 33 - QG2 ILE 7 far 0 84 0 - 6.9-7.3 HG12 ILE 56 - QG2 ILE 7 far 0 99 0 - 8.5-8.8 HG3 LYS 13 - QG2 ILE 7 far 0 85 0 - 9.7-10.5 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): 1 out of 8 assignments used, quality = 1.00: * HG12 ILE 7 + QG2 ILE 7 OK 100 100 100 100 3.2-3.2 3.2=100 HG LEU 29 - QG2 ILE 7 far 0 99 0 - 3.8-4.4 QB ALA 22 - QG2 ILE 7 far 0 99 0 - 5.6-6.0 HG2 LYS 12 - QG2 ILE 7 far 0 91 0 - 7.0-7.7 HG2 LYS 20 - QG2 ILE 7 far 0 71 0 - 8.1-10.0 HG LEU 38 - QG2 ILE 7 far 0 68 0 - 8.4-9.0 HB2 LEU 38 - QG2 ILE 7 far 0 75 0 - 8.6-9.9 HB2 LEU 27 - QG2 ILE 7 far 0 71 0 - 9.4-9.8 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 2.3-2.6 3.2=100 HG13 ILE 8 - QG2 ILE 7 far 0 100 0 - 4.9-5.3 QG1 VAL 32 - QG2 ILE 7 far 0 97 0 - 5.5-5.9 QD1 LEU 38 - QG2 ILE 7 far 0 71 0 - 7.5-7.8 Violated in 0 structures by 0.00 A. Peak 255 from cnoeabs.peaks (0.62, 0.80, 16.81 ppm; 2.89 A): 2 out of 5 assignments used, quality = 1.00: * QD1 ILE 7 + QG2 ILE 7 OK 99 100 100 99 1.8-2.1 3.0=91, 239/3.0=31...(16) QD2 LEU 29 + QG2 ILE 7 OK 67 90 85 89 2.7-3.4 10501=45, 8731/8282=34...(13) QD1 LEU 29 - QG2 ILE 7 far 0 71 0 - 3.3-3.9 QG2 ILE 56 - QG2 ILE 7 far 0 91 0 - 5.8-6.0 QG2 VAL 54 - QG2 ILE 7 far 0 70 0 - 8.6-9.3 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...(11) H ALA 22 - QG2 ILE 7 far 0 94 0 - 7.3-7.7 H SER 59 - QG2 ILE 7 far 0 100 0 - 7.6-8.0 H ARG 81 - QG2 ILE 7 far 0 59 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 257 from cnoeabs.peaks (8.46, 1.42, 27.84 ppm; 4.68 A increased from 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=100 H VAL 32 - HG12 ILE 7 far 0 90 0 - 6.3-6.7 H THR 31 - HG12 ILE 7 far 0 61 0 - 8.7-9.0 Violated in 0 structures by 0.00 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 2.2-2.4 3.9=100 HA VAL 5 - HG12 ILE 7 far 0 85 0 - 7.6-8.2 HA SER 85 - HG12 ILE 7 far 0 100 0 - 8.9-9.5 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 6 assignments used, quality = 1.00: * HB ILE 7 + HG12 ILE 7 OK 100 100 100 100 2.4-2.6 2.9=100 HG LEU 57 + HG12 ILE 7 OK 90 91 100 99 3.9-4.7 3.0/8284=64...(11) HB2 LEU 14 - HG12 ILE 7 far 0 100 0 - 7.0-7.6 HG LEU 6 - HG12 ILE 7 far 0 100 0 - 8.7-8.9 HG12 ILE 56 - HG12 ILE 7 far 0 99 0 - 9.3-9.6 HG3 LYS 33 - HG12 ILE 7 far 0 94 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 260 from cnoeabs.peaks (0.80, 1.42, 27.84 ppm; 3.53 A): 1 out of 12 assignments used, quality = 1.00: * QG2 ILE 7 + HG12 ILE 7 OK 100 100 100 100 3.2-3.2 3.2=100 QD2 LEU 57 - HG12 ILE 7 far 0 100 0 - 4.1-5.3 QD1 LEU 57 - HG12 ILE 7 far 0 79 0 - 4.3-4.7 QD1 ILE 93 - HG12 ILE 7 far 0 79 0 - 4.9-5.3 QG2 ILE 15 - HG12 ILE 7 far 0 99 0 - 5.1-5.7 QG2 ILE 8 - HG12 ILE 7 far 0 98 0 - 5.8-6.5 QD1 ILE 15 - HG12 ILE 7 far 0 59 0 - 6.1-6.6 QG2 VAL 32 - HG12 ILE 7 far 0 71 0 - 7.1-7.4 QD2 LEU 38 - HG12 ILE 7 far 0 87 0 - 7.3-7.7 QG1 VAL 54 - HG12 ILE 7 far 0 63 0 - 8.1-8.7 QD1 LEU 6 - HG12 ILE 7 far 0 81 0 - 8.1-8.3 QD1 LEU 27 - HG12 ILE 7 far 0 77 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 261 from cnoeabs.peaks (1.42, 1.42, 27.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 7 + HG12 ILE 7 OK 100 100 - 100 Peak 262 from cnoeabs.peaks (0.89, 1.42, 27.84 ppm; 2.94 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 7 + HG12 ILE 7 OK 100 100 100 100 1.8-1.8 1.8=100 HG13 ILE 8 - HG12 ILE 7 far 0 100 0 - 5.3-7.3 QG1 VAL 32 - HG12 ILE 7 far 0 97 0 - 8.0-8.5 QD1 LEU 38 - HG12 ILE 7 far 0 71 0 - 9.4-9.8 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 - 4.5-5.1 QD2 LEU 29 - HG12 ILE 7 far 0 90 0 - 5.4-6.4 QG2 ILE 56 - HG12 ILE 7 far 0 91 0 - 6.1-6.3 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 2.6-3.1 6090=100, 6091/1.8=93...(14) H SER 59 - HG12 ILE 7 far 0 100 0 - 7.2-7.6 H ARG 81 - HG12 ILE 7 far 0 59 0 - 8.2-8.4 H ALA 22 - HG12 ILE 7 far 0 94 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 265 from cnoeabs.peaks (8.46, 0.89, 27.84 ppm; 4.81 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 7 + HG13 ILE 7 OK 100 100 100 100 4.5-4.7 4.5=100 H VAL 32 - HG13 ILE 7 far 0 90 0 - 5.4-6.7 H THR 31 - HG13 ILE 7 far 0 61 0 - 8.1-8.6 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 2.8-3.5 3.9=100 HA VAL 5 - HG13 ILE 7 far 0 85 0 - 8.4-9.3 HA SER 85 - HG13 ILE 7 far 0 100 0 - 9.0-9.5 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 6 assignments used, quality = 1.00: * HB ILE 7 + HG13 ILE 7 OK 100 100 100 100 2.3-3.0 2.9=100 HG LEU 57 - HG13 ILE 7 far 0 91 0 - 5.5-6.3 HB2 LEU 14 - HG13 ILE 7 far 0 100 0 - 6.5-7.2 HG3 LYS 33 - HG13 ILE 7 far 0 94 0 - 8.4-9.9 HG LEU 6 - HG13 ILE 7 far 0 100 0 - 9.1-9.4 HG12 ILE 56 - HG13 ILE 7 far 0 99 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 268 from cnoeabs.peaks (0.80, 0.89, 27.84 ppm; 3.94 A): 1 out of 11 assignments used, quality = 1.00: * QG2 ILE 7 + HG13 ILE 7 OK 100 100 100 100 2.3-2.6 3.2=100 QG2 ILE 15 - HG13 ILE 7 far 5 99 5 - 4.0-5.1 QD1 ILE 93 - HG13 ILE 7 far 0 79 0 - 4.6-6.5 QD1 ILE 15 - HG13 ILE 7 far 0 59 0 - 4.7-5.7 QG2 ILE 8 - HG13 ILE 7 far 0 98 0 - 5.1-6.9 QD2 LEU 57 - HG13 ILE 7 far 0 100 0 - 5.4-6.4 QD1 LEU 57 - HG13 ILE 7 far 0 79 0 - 5.4-6.0 QG2 VAL 32 - HG13 ILE 7 far 0 71 0 - 6.7-7.8 QD2 LEU 38 - HG13 ILE 7 far 0 87 0 - 7.1-8.3 QD1 LEU 6 - HG13 ILE 7 far 0 81 0 - 8.3-9.0 QG1 VAL 54 - HG13 ILE 7 far 0 63 0 - 8.9-9.3 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 4 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 - 6.0-7.3 QB ALA 22 - HG13 ILE 7 far 0 99 0 - 6.6-8.7 HG2 LYS 12 - HG13 ILE 7 far 0 91 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 270 from cnoeabs.peaks (0.89, 0.89, 27.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 7 + HG13 ILE 7 OK 100 100 - 100 Peak 271 from cnoeabs.peaks (0.62, 0.89, 27.84 ppm; 3.43 A): 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 - 4.1-6.0 QD2 LEU 29 - HG13 ILE 7 far 0 90 0 - 4.9-6.5 QG2 ILE 56 - HG13 ILE 7 far 0 91 0 - 6.3-7.5 Violated in 0 structures by 0.00 A. Peak 272 from cnoeabs.peaks (8.80, 0.89, 27.84 ppm; 4.80 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 8 + HG13 ILE 7 OK 100 100 100 100 2.3-4.1 6091=100, 6090/1.8=96...(15) H SER 59 - HG13 ILE 7 far 0 100 0 - 6.6-8.8 H ALA 22 - HG13 ILE 7 far 0 94 0 - 7.9-10.6 H ARG 81 - HG13 ILE 7 far 0 59 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 273 from cnoeabs.peaks (8.46, 0.62, 13.69 ppm; 5.09 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 7 + QD1 ILE 7 OK 100 100 100 100 4.2-4.5 4.7=100 H VAL 32 - QD1 ILE 7 far 9 90 10 - 4.4-6.0 H THR 31 - QD1 ILE 7 far 0 61 0 - 6.9-7.4 H LEU 29 - QD1 ILE 7 far 0 100 0 - 8.5-10.1 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 3 assignments used, quality = 1.00: * HA ILE 7 + QD1 ILE 7 OK 100 100 100 100 3.1-3.8 4.2=100 HA SER 85 - QD1 ILE 7 far 0 100 0 - 6.7-7.5 HA VAL 5 - QD1 ILE 7 far 0 85 0 - 7.4-8.2 Violated in 0 structures by 0.00 A. Peak 275 from cnoeabs.peaks (1.52, 0.62, 13.69 ppm; 3.60 A): 1 out of 11 assignments used, quality = 1.00: * HB ILE 7 + QD1 ILE 7 OK 100 100 100 100 2.3-3.2 3.2=100 HB2 LEU 14 - QD1 ILE 7 far 0 100 0 - 4.5-5.1 HG LEU 57 - QD1 ILE 7 far 0 91 0 - 4.5-5.9 HG3 LYS 33 - QD1 ILE 7 far 0 94 0 - 6.6-8.4 HG2 LYS 33 - QD1 ILE 7 far 0 84 0 - 8.0-9.7 HG LEU 6 - QD1 ILE 7 far 0 100 0 - 8.2-8.6 HG3 LYS 13 - QD1 ILE 7 far 0 85 0 - 8.3-9.2 HG3 ARG 30 - QD1 ILE 7 far 0 99 0 - 9.1-10.1 HG12 ILE 56 - QD1 ILE 7 far 0 99 0 - 9.2-9.9 HB3 LEU 64 - QD1 ILE 7 far 0 73 0 - 9.4-10.6 HB2 ARG 91 - QD1 ILE 7 far 0 65 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 276 from cnoeabs.peaks (0.80, 0.62, 13.69 ppm; 2.94 A): 2 out of 12 assignments used, quality = 1.00: * QG2 ILE 7 + QD1 ILE 7 OK 100 100 100 100 1.8-2.1 3.0=96, 3.0/239=32...(15) QG2 ILE 15 + QD1 ILE 7 OK 78 99 85 93 2.8-3.3 3.2/8459=32, 658/8469=29...(21) QD1 ILE 15 - QD1 ILE 7 far 0 59 0 - 3.5-4.1 QD1 ILE 93 - QD1 ILE 7 far 0 79 0 - 3.8-5.6 QG2 ILE 8 - QD1 ILE 7 far 0 98 0 - 4.2-6.2 QD1 LEU 57 - QD1 ILE 7 far 0 79 0 - 4.6-5.3 QD2 LEU 57 - QD1 ILE 7 far 0 100 0 - 4.8-5.9 QG2 VAL 32 - QD1 ILE 7 far 0 71 0 - 5.8-7.0 QD2 LEU 38 - QD1 ILE 7 far 0 87 0 - 6.3-7.6 QD1 LEU 6 - QD1 ILE 7 far 0 81 0 - 7.4-8.1 QG1 VAL 54 - QD1 ILE 7 far 0 63 0 - 7.9-8.5 QD1 LEU 27 - QD1 ILE 7 far 0 77 0 - 8.6-10.1 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 8 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 - 5.0-6.4 QB ALA 22 - QD1 ILE 7 far 0 99 0 - 5.5-7.2 HG2 LYS 20 - QD1 ILE 7 far 0 71 0 - 6.8-10.6 HG2 LYS 12 - QD1 ILE 7 far 0 91 0 - 7.2-7.8 HG2 LYS 13 - QD1 ILE 7 far 0 100 0 - 8.7-9.6 HG LEU 38 - QD1 ILE 7 far 0 68 0 - 9.0-10.8 HB2 LEU 27 - QD1 ILE 7 far 0 71 0 - 9.4-11.4 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 - 5.0-7.2 QG1 VAL 32 - QD1 ILE 7 far 0 97 0 - 6.1-7.9 QD1 LEU 38 - QD1 ILE 7 far 0 71 0 - 8.3-9.5 QD2 LEU 64 - QD1 ILE 7 far 0 75 0 - 9.8-10.9 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 2.4-4.1 6092=100, 6097/2.1=98...(13) H SER 59 - QD1 ILE 7 far 0 100 0 - 5.9-7.6 H ALA 22 - QD1 ILE 7 far 0 94 0 - 6.6-8.5 H ARG 81 - QD1 ILE 7 far 0 59 0 - 8.5-9.0 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 6.2-6.6 9400/3.0=98, 9396/3.2=97...(5) H ARG 81 - HA ILE 8 far 0 59 0 - 9.9-10.4 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 4 assignments used, quality = 1.00: * HB ILE 8 + HA ILE 8 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LYS 33 - HA ILE 8 far 0 92 0 - 6.5-6.8 HB2 LYS 33 - HA ILE 8 far 0 90 0 - 7.1-7.4 HB3 LEU 14 - HA ILE 8 far 0 100 0 - 7.9-8.6 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 11 assignments used, quality = 1.00: * QG2 ILE 8 + HA ILE 8 OK 100 100 100 100 2.3-2.5 3.2=100 QG2 ILE 7 + HA ILE 8 OK 96 98 100 98 3.5-3.7 256/3.0=50, ~6088=26...(18) QD1 ILE 15 - HA ILE 8 far 0 82 0 - 4.6-5.7 QD2 LEU 38 - HA ILE 8 far 0 65 0 - 4.8-5.3 HG13 ILE 15 - HA ILE 8 far 0 73 0 - 5.1-6.5 QG2 ILE 15 - HA ILE 8 far 0 88 0 - 5.7-6.4 QD1 LEU 6 - HA ILE 8 far 0 96 0 - 7.0-7.4 QD2 LEU 57 - HA ILE 8 far 0 99 0 - 7.2-7.9 QG1 VAL 54 - HA ILE 8 far 0 85 0 - 8.6-9.2 QD1 LEU 70 - HA ILE 8 far 0 79 0 - 8.9-9.7 QD1 ILE 93 - HA ILE 8 far 0 95 0 - 9.2-9.6 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 2.6-3.0 4.1=100 QB ALA 67 - HA ILE 8 far 0 84 0 - 6.9-7.2 QB ALA 89 - HA ILE 8 far 0 87 0 - 7.9-8.3 HG LEU 14 - HA ILE 8 far 0 98 0 - 8.4-8.7 HB3 ARG 30 - HA ILE 8 far 0 99 0 - 8.9-9.3 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 2.4-3.4 4.1=100 QG1 VAL 32 + HA ILE 8 OK 91 92 100 99 4.0-4.6 2.1/12055=76...(7) HG13 ILE 7 + HA ILE 8 OK 90 100 90 100 4.0-5.9 6097/3.0=79, ~6090=51...(14) QD1 LEU 38 - HA ILE 8 far 0 82 0 - 7.4-7.9 Violated in 0 structures by 0.00 A. Peak 287 from cnoeabs.peaks (0.71, 4.61, 60.23 ppm; 4.21 A): 1 out of 11 assignments used, quality = 1.00: * QD1 ILE 8 + HA ILE 8 OK 100 100 100 100 3.7-3.8 4.1=100 QG1 VAL 58 - HA ILE 8 far 0 99 0 - 4.7-5.1 QD2 LEU 14 - HA ILE 8 far 0 100 0 - 5.2-5.5 QD2 LEU 6 - HA ILE 8 far 0 88 0 - 6.0-6.2 QG2 VAL 58 - HA ILE 8 far 0 70 0 - 6.8-7.2 QD1 LEU 14 - HA ILE 8 far 0 73 0 - 7.4-7.7 QG1 VAL 5 - HA ILE 8 far 0 95 0 - 7.5-7.7 QD1 ILE 56 - HA ILE 8 far 0 100 0 - 8.0-8.2 HG13 ILE 56 - HA ILE 8 far 0 100 0 - 8.1-8.5 QD1 LEU 64 - HA ILE 8 far 0 73 0 - 9.2-9.5 QD1 LEU 42 - HA ILE 8 far 0 91 0 - 9.9-10.4 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, 6104/3.2=54...(17) HE ARG 30 - HA ILE 8 far 0 90 0 - 9.1-13.1 Violated in 0 structures by 0.00 A. Peak 289 from cnoeabs.peaks (8.80, 1.90, 37.66 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 8 + HB ILE 8 OK 100 100 100 100 2.6-2.9 6094=100, 6096/2.9=57...(11) H SER 59 - HB ILE 8 far 15 100 15 - 3.7-4.3 H ARG 81 - HB ILE 8 far 0 59 0 - 7.4-8.0 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 2 assignments used, quality = 1.00: * HA ILE 8 + HB ILE 8 OK 100 100 100 100 3.0-3.0 3.0=100 HA THR 84 - HB ILE 8 far 0 73 0 - 9.2-9.7 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 12 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 - 4.5-5.1 QG2 ILE 7 - HB ILE 8 far 0 98 0 - 5.3-5.5 QD2 LEU 57 - HB ILE 8 far 0 99 0 - 6.2-6.8 QD1 ILE 15 - HB ILE 8 far 0 82 0 - 6.7-7.9 QD1 LEU 6 - HB ILE 8 far 0 96 0 - 7.0-7.7 HG13 ILE 15 - HB ILE 8 far 0 73 0 - 7.3-8.4 QG2 ILE 15 - HB ILE 8 far 0 88 0 - 7.8-8.5 QD1 LEU 70 - HB ILE 8 far 0 79 0 - 7.9-8.7 QG1 VAL 54 - HB ILE 8 far 0 85 0 - 8.3-9.0 QD1 ILE 93 - HB ILE 8 far 0 95 0 - 9.4-10.1 QD2 LEU 42 - HB ILE 8 far 0 92 0 - 9.7-10.4 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 5 assignments used, quality = 1.00: * HG12 ILE 8 + HB ILE 8 OK 100 100 100 100 2.5-3.0 2.9=100 QB ALA 67 - HB ILE 8 far 0 84 0 - 5.0-5.5 QB ALA 89 - HB ILE 8 far 0 87 0 - 7.6-8.3 HB2 LYS 82 - HB ILE 8 far 0 92 0 - 8.6-9.1 HG LEU 14 - HB ILE 8 far 0 98 0 - 8.8-9.2 Violated in 0 structures by 0.00 A. Peak 294 from cnoeabs.peaks (0.89, 1.90, 37.66 ppm; 3.96 A): 1 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 HG13 ILE 7 - HB ILE 8 far 0 100 0 - 4.8-6.7 QG1 VAL 32 - HB ILE 8 far 0 92 0 - 4.8-5.3 QD1 LEU 38 - HB ILE 8 far 0 82 0 - 6.7-7.4 QD2 LEU 64 - HB ILE 8 far 0 85 0 - 8.5-8.8 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 13 assignments used, quality = 1.00: * QD1 ILE 8 + HB ILE 8 OK 100 100 100 100 2.2-2.5 3.2=100 QG1 VAL 58 + HB ILE 8 OK 98 99 100 100 2.2-2.6 10224=81, 3.2/9374=44...(23) QG2 VAL 58 - HB ILE 8 far 0 70 0 - 4.4-4.8 QD2 LEU 14 - HB ILE 8 far 0 100 0 - 5.5-6.0 QD1 ILE 56 - HB ILE 8 far 0 100 0 - 6.6-7.2 QD1 LEU 64 - HB ILE 8 far 0 73 0 - 6.7-7.0 QD2 LEU 6 - HB ILE 8 far 0 88 0 - 6.9-7.3 HG13 ILE 56 - HB ILE 8 far 0 100 0 - 6.9-7.8 QD1 LEU 14 - HB ILE 8 far 0 73 0 - 7.1-7.6 QG1 VAL 5 - HB ILE 8 far 0 95 0 - 7.5-8.0 HG3 ARG 81 - HB ILE 8 far 0 77 0 - 8.9-11.8 QD1 LEU 42 - HB ILE 8 far 0 91 0 - 9.2-9.8 QG2 VAL 78 - HB ILE 8 far 0 98 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 296 from cnoeabs.peaks (7.81, 1.90, 37.66 ppm; 5.37 A): 1 out of 2 assignments used, quality = 1.00: * H SER 9 + HB ILE 8 OK 100 100 100 100 4.3-4.5 4.4=100 H LYS 66 - HB ILE 8 far 0 99 0 - 9.0-9.3 Violated in 0 structures by 0.00 A. Peak 297 from cnoeabs.peaks (8.80, 0.79, 17.45 ppm; 3.78 A): 2 out of 6 assignments used, quality = 1.00: * H ILE 8 + QG2 ILE 8 OK 100 100 100 100 3.8-3.9 4.0=84, 6094/2.1=77...(11) H SER 59 + QG2 ILE 8 OK 83 100 85 98 3.4-4.5 9400/2.1=56, 9396=53...(13) H ILE 8 - QG2 ILE 15 far 0 70 0 - 6.0-6.7 H ALA 22 - QG2 ILE 15 far 0 61 0 - 7.2-7.7 H ARG 81 - QG2 ILE 8 far 0 59 0 - 7.9-8.4 H SER 59 - QG2 ILE 15 far 0 70 0 - 9.7-10.4 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 7 assignments used, quality = 1.00: * HA ILE 8 + QG2 ILE 8 OK 100 100 100 100 2.3-2.5 3.2=100 HA ILE 8 - QG2 ILE 15 far 0 70 0 - 5.7-6.4 HB THR 34 - QG2 ILE 8 far 0 96 0 - 6.6-7.5 HA ASP 11 - QG2 ILE 15 far 0 64 0 - 6.7-7.2 HA THR 84 - QG2 ILE 8 far 0 73 0 - 8.2-9.3 HA ASP 11 - QG2 ILE 8 far 0 96 0 - 9.0-9.3 HA HIS 105 - QG2 ILE 52 far 0 60 0 - 9.9-16.8 Violated in 0 structures by 0.00 A. Peak 299 from cnoeabs.peaks (1.90, 0.79, 17.45 ppm; 3.18 A): 1 out of 27 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 far 0 42 0 - 3.6-4.2 HB2 ARG 19 - QG2 ILE 15 far 0 70 0 - 4.5-4.9 HB2 LYS 12 - QG2 ILE 15 far 0 46 0 - 4.7-5.6 HB VAL 54 - QG2 ILE 52 far 0 66 0 - 4.9-5.8 HB3 LYS 33 - QG2 ILE 8 far 0 92 0 - 5.2-6.0 HB3 LYS 47 - QG2 ILE 52 far 0 47 0 - 5.3-6.1 HB3 LEU 14 - QG2 ILE 15 far 0 69 0 - 5.5-5.7 HB2 LYS 33 - QG2 ILE 8 far 0 90 0 - 5.7-6.5 HB3 LYS 12 - QG2 ILE 15 far 0 48 0 - 5.8-6.4 HB3 LYS 66 - QG2 ILE 8 far 0 70 0 - 6.1-6.5 HB3 LYS 20 - QG2 ILE 15 far 0 35 0 - 7.2-8.8 HB2 LYS 13 - QG2 ILE 15 far 0 58 0 - 7.3-7.6 HB2 LYS 20 - QG2 ILE 15 far 0 69 0 - 7.3-8.9 HG LEU 42 - QG2 ILE 52 far 0 68 0 - 7.6-8.3 HB3 LYS 13 - QG2 ILE 15 far 0 60 0 - 7.6-7.9 HB VAL 5 - QG2 ILE 15 far 0 42 0 - 7.7-8.3 HB3 LEU 14 - QG2 ILE 8 far 0 100 0 - 7.7-8.2 HB ILE 8 - QG2 ILE 15 far 0 70 0 - 7.8-8.5 HB3 LYS 33 - QG2 ILE 15 far 0 59 0 - 7.9-8.6 HB2 LYS 33 - QG2 ILE 15 far 0 57 0 - 8.6-9.2 HB2 GLU 43 - QG2 ILE 52 far 0 65 0 - 9.1-9.5 HG LEU 42 - QG2 ILE 8 far 0 100 0 - 9.1-9.9 HB3 LYS 39 - QG2 ILE 8 far 0 71 0 - 9.5-11.0 HB3 LYS 68 - QG2 ILE 8 far 0 87 0 - 9.5-10.0 HB3 GLU 104 - QG2 ILE 52 far 0 52 0 - 9.7-17.2 HB VAL 5 - QG2 ILE 52 far 0 40 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 300 from cnoeabs.peaks (0.79, 0.79, 17.45 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QG2 ILE 8 + QG2 ILE 8 OK 100 100 - 100 QG2 ILE 52 + QG2 ILE 52 OK 67 67 - 100 QG2 ILE 15 + QG2 ILE 15 OK 56 56 - 100 Peak 301 from cnoeabs.peaks (1.36, 0.79, 17.45 ppm; 3.62 A): 1 out of 16 assignments used, quality = 1.00: * HG12 ILE 8 + QG2 ILE 8 OK 100 100 100 100 2.5-3.2 3.1=100 QB ALA 67 - QG2 ILE 8 far 0 84 0 - 4.7-5.0 HB3 LEU 2 - QG2 ILE 52 far 0 46 0 - 5.2-5.6 HG LEU 14 - QG2 ILE 15 far 0 66 0 - 5.7-6.2 QB ALA 89 - QG2 ILE 15 far 0 55 0 - 5.8-6.4 HG12 ILE 8 - QG2 ILE 15 far 0 70 0 - 7.1-8.0 QB ALA 89 - QG2 ILE 8 far 0 87 0 - 7.7-8.4 HB3 ARG 30 - QG2 ILE 15 far 0 69 0 - 7.7-8.3 HB2 LYS 82 - QG2 ILE 8 far 0 92 0 - 8.2-9.0 HG LEU 14 - QG2 ILE 8 far 0 98 0 - 8.2-8.8 HB2 LEU 70 - QG2 ILE 8 far 0 100 0 - 8.7-9.4 HB3 ARG 30 - QG2 ILE 8 far 0 99 0 - 8.8-9.8 HB3 LEU 27 - QG2 ILE 52 far 0 59 0 - 9.0-9.9 HB3 ARG 30 - QG2 ILE 52 far 0 67 0 - 9.4-10.2 QB ALA 25 - QG2 ILE 15 far 0 55 0 - 9.8-10.4 QB ALA 67 - QG2 ILE 52 far 0 51 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 302 from cnoeabs.peaks (0.89, 0.79, 17.45 ppm; 2.93 A): 2 out of 12 assignments used, quality = 0.97: * HG13 ILE 8 + QG2 ILE 8 OK 95 100 100 95 2.3-3.2 3.1=83, 2.1/324=46...(9) QG2 ILE 76 + QG2 ILE 52 OK 36 68 80 66 2.5-3.3 3431=24, 9065/9066=20...(13) QG1 VAL 32 - QG2 ILE 8 far 14 92 15 - 2.7-3.7 QD1 LEU 2 - QG2 ILE 52 far 0 68 0 - 3.4-3.8 HG13 ILE 7 - QG2 ILE 15 far 0 69 0 - 4.0-5.1 HG13 ILE 7 - QG2 ILE 8 far 0 100 0 - 5.1-6.9 QD1 LEU 38 - QG2 ILE 8 far 0 82 0 - 5.9-6.5 QD1 LEU 103 - QG2 ILE 52 far 0 54 0 - 6.6-13.9 QG1 VAL 32 - QG2 ILE 15 far 0 59 0 - 7.5-7.9 HG13 ILE 8 - QG2 ILE 15 far 0 70 0 - 7.6-8.2 QD2 LEU 64 - QG2 ILE 8 far 0 85 0 - 7.8-8.2 QD1 LEU 38 - QG2 ILE 52 far 0 49 0 - 7.9-8.4 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 31 assignments used, quality = 0.98: * QD1 ILE 8 + QG2 ILE 8 OK 94 100 100 94 1.9-2.2 3.0=77, 2.1/302=38...(12) QD1 ILE 52 + QG2 ILE 52 OK 58 62 100 94 2.0-2.4 3.1=68, 2.1/2369=34...(17) QG1 VAL 58 + QG2 ILE 8 OK 33 99 35 95 2.7-3.2 10224/2.1=39...(23) QG1 VAL 78 - QG2 ILE 52 far 0 38 0 - 3.7-4.9 QD2 LEU 14 - QG2 ILE 15 far 0 70 0 - 4.3-4.7 QG2 VAL 58 - QG2 ILE 8 far 0 70 0 - 4.3-4.9 QD2 LEU 14 - QG2 ILE 8 far 0 100 0 - 5.2-5.7 QD2 LEU 6 - QG2 ILE 8 far 0 88 0 - 5.8-6.6 QG2 VAL 78 - QG2 ILE 52 far 0 64 0 - 6.0-7.0 QG1 VAL 5 - QG2 ILE 15 far 0 62 0 - 6.0-6.7 QD1 ILE 56 - QG2 ILE 8 far 0 100 0 - 6.3-6.7 QD1 LEU 14 - QG2 ILE 15 far 0 44 0 - 6.3-6.6 QD1 LEU 14 - QG2 ILE 8 far 0 73 0 - 6.4-7.2 QD2 LEU 6 - QG2 ILE 15 far 0 56 0 - 6.5-7.0 QD1 LEU 64 - QG2 ILE 8 far 0 73 0 - 6.6-7.0 QD1 LEU 42 - QG2 ILE 52 far 0 56 0 - 6.8-7.4 HG13 ILE 56 - QG2 ILE 8 far 0 100 0 - 7.0-7.5 QD1 ILE 56 - QG2 ILE 52 far 0 68 0 - 7.1-7.8 QD1 ILE 8 - QG2 ILE 15 far 0 70 0 - 7.6-8.3 QG1 VAL 5 - QG2 ILE 8 far 0 95 0 - 7.7-7.9 QD2 LEU 27 - QG2 ILE 52 far 0 58 0 - 7.9-9.0 QD1 LEU 42 - QG2 ILE 8 far 0 91 0 - 7.9-8.5 QD2 LEU 6 - QG2 ILE 52 far 0 54 0 - 8.0-8.6 QG1 VAL 58 - QG2 ILE 15 far 0 67 0 - 8.3-9.1 HG13 ILE 93 - QG2 ILE 15 far 0 42 0 - 8.3-9.2 HG13 ILE 56 - QG2 ILE 52 far 0 68 0 - 8.6-9.6 QG1 VAL 5 - QG2 ILE 52 far 0 60 0 - 8.7-9.6 QG2 VAL 78 - QG2 ILE 8 far 0 98 0 - 8.8-9.2 HG3 ARG 81 - QG2 ILE 8 far 0 77 0 - 9.1-11.7 QG1 VAL 78 - QG2 ILE 8 far 0 65 0 - 9.4-10.0 QG2 VAL 58 - QG2 ILE 15 far 0 42 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 304 from cnoeabs.peaks (7.81, 0.79, 17.45 ppm; 3.93 A): 1 out of 11 assignments used, quality = 1.00: * H SER 9 + QG2 ILE 8 OK 100 100 100 100 3.1-3.2 6104=100, 6102/3.2=77...(10) H SER 9 - QG2 ILE 15 far 0 70 0 - 5.0-5.6 H LYS 20 - QG2 ILE 15 far 0 60 0 - 5.4-6.0 H LEU 3 - QG2 ILE 52 far 0 42 0 - 6.4-6.8 HE ARG 30 - QG2 ILE 15 far 0 57 0 - 6.6-10.3 H LYS 66 - QG2 ILE 8 far 0 99 0 - 7.3-7.6 H GLU 28 - QG2 ILE 52 far 0 64 0 - 8.7-9.6 HE ARG 30 - QG2 ILE 8 far 0 90 0 - 8.7-13.0 H TYR 41 - QG2 ILE 8 far 0 98 0 - 9.0-10.0 HE ARG 30 - QG2 ILE 52 far 0 55 0 - 9.6-13.5 H TYR 41 - QG2 ILE 52 far 0 64 0 - 10.0-10.5 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 3.0-3.5 6096=100, 6094/2.9=75...(13) H SER 59 - HG12 ILE 8 far 0 100 0 - 6.4-6.9 H ARG 81 - HG12 ILE 8 far 0 59 0 - 7.7-8.6 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 2.6-3.0 4.1=100 HB THR 34 - HG12 ILE 8 far 0 96 0 - 9.5-10.3 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 2.5-3.0 2.9=100 HB3 LYS 33 - HG12 ILE 8 far 0 92 0 - 7.9-8.9 HB2 LYS 33 - HG12 ILE 8 far 0 90 0 - 8.0-9.1 HB3 LYS 66 - HG12 ILE 8 far 0 70 0 - 8.5-9.0 HG LEU 42 - HG12 ILE 8 far 0 100 0 - 8.7-9.1 HB VAL 5 - HG12 ILE 8 far 0 70 0 - 9.2-9.6 HB VAL 54 - HG12 ILE 8 far 0 99 0 - 9.6-10.5 HB3 LEU 14 - HG12 ILE 8 far 0 100 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 308 from cnoeabs.peaks (0.79, 1.36, 26.30 ppm; 3.67 A): 2 out of 13 assignments used, quality = 1.00: * QG2 ILE 8 + HG12 ILE 8 OK 100 100 100 100 2.5-3.2 3.1=100 QD2 LEU 38 + HG12 ILE 8 OK 60 65 100 92 2.9-3.3 324/2.1=32, 316/1.8=28...(13) QG2 ILE 7 - HG12 ILE 8 far 0 98 0 - 4.5-4.8 QD1 LEU 6 - HG12 ILE 8 far 0 96 0 - 5.0-5.5 QD2 LEU 57 - HG12 ILE 8 far 0 99 0 - 6.1-7.0 QG1 VAL 54 - HG12 ILE 8 far 0 85 0 - 6.6-7.3 QD1 ILE 15 - HG12 ILE 8 far 0 82 0 - 6.7-7.9 QD1 LEU 70 - HG12 ILE 8 far 0 79 0 - 7.1-7.9 QG2 ILE 15 - HG12 ILE 8 far 0 88 0 - 7.1-8.0 HG13 ILE 15 - HG12 ILE 8 far 0 73 0 - 7.2-8.7 QD2 LEU 42 - HG12 ILE 8 far 0 92 0 - 8.1-8.6 QD1 ILE 93 - HG12 ILE 8 far 0 95 0 - 9.1-9.9 QD2 LEU 70 - HG12 ILE 8 far 0 91 0 - 9.5-10.4 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): 1 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 far 0 92 0 - 3.3-4.0 HG13 ILE 7 - HG12 ILE 8 far 0 100 0 - 5.1-6.8 QD1 LEU 38 - HG12 ILE 8 far 0 82 0 - 5.3-5.8 QD2 LEU 64 - HG12 ILE 8 far 0 85 0 - 9.4-10.2 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 24 99 25 98 3.2-3.9 10224/2.9=47...(25) QD2 LEU 6 - HG12 ILE 8 far 0 88 0 - 4.7-5.1 HG13 ILE 56 - HG12 ILE 8 far 0 100 0 - 5.3-6.1 QD1 ILE 56 - HG12 ILE 8 far 0 100 0 - 5.5-6.1 QG2 VAL 58 - HG12 ILE 8 far 0 70 0 - 5.8-6.4 QG1 VAL 5 - HG12 ILE 8 far 0 95 0 - 6.5-6.9 QD2 LEU 14 - HG12 ILE 8 far 0 100 0 - 6.5-7.0 QD1 LEU 64 - HG12 ILE 8 far 0 73 0 - 7.3-8.2 QD1 LEU 42 - HG12 ILE 8 far 0 91 0 - 7.8-8.3 QG2 VAL 78 - HG12 ILE 8 far 0 98 0 - 8.4-9.0 QD1 LEU 14 - HG12 ILE 8 far 0 73 0 - 8.5-8.9 QG1 VAL 78 - HG12 ILE 8 far 0 65 0 - 8.8-9.5 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 4.8-5.1 6105=100, 6104/3.1=99...(11) HE ARG 30 - HG12 ILE 8 far 0 90 0 - 8.5-12.6 H TYR 41 - HG12 ILE 8 far 0 98 0 - 9.1-9.8 H LYS 66 - HG12 ILE 8 far 0 99 0 - 9.8-10.2 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 2.7-4.4 4.6=100 H SER 59 - HG13 ILE 8 far 0 100 0 - 5.6-7.0 H ARG 81 - HG13 ILE 8 far 0 59 0 - 6.9-10.0 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 2.4-3.4 4.1=100 HB THR 34 - HG13 ILE 8 far 0 96 0 - 7.8-11.1 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 9 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 - 6.7-9.5 HB2 LYS 33 - HG13 ILE 8 far 0 90 0 - 6.8-9.7 HB3 LYS 66 - HG13 ILE 8 far 0 70 0 - 7.9-8.7 HG LEU 42 - HG13 ILE 8 far 0 100 0 - 9.1-9.4 HB VAL 5 - HG13 ILE 8 far 0 70 0 - 9.2-11.2 HB3 LYS 68 - HG13 ILE 8 far 0 87 0 - 9.6-11.9 HB VAL 54 - HG13 ILE 8 far 0 99 0 - 9.9-11.5 HB3 LEU 14 - HG13 ILE 8 far 0 100 0 - 10.0-11.0 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 2.3-3.2 3.1=100 QD2 LEU 38 + HG13 ILE 8 OK 55 65 100 83 2.8-3.6 324/2.1=30, 308/1.8=24...(9) QG2 ILE 7 - HG13 ILE 8 far 0 98 0 - 4.9-5.3 QD1 LEU 6 - HG13 ILE 8 far 0 96 0 - 5.5-6.2 QD2 LEU 57 - HG13 ILE 8 far 0 99 0 - 5.7-8.2 QD1 ILE 15 - HG13 ILE 8 far 0 82 0 - 6.9-8.1 QD1 LEU 70 - HG13 ILE 8 far 0 79 0 - 6.9-8.1 QG1 VAL 54 - HG13 ILE 8 far 0 85 0 - 7.0-8.3 HG13 ILE 15 - HG13 ILE 8 far 0 73 0 - 7.6-9.0 QG2 ILE 15 - HG13 ILE 8 far 0 88 0 - 7.6-8.2 QD2 LEU 42 - HG13 ILE 8 far 0 92 0 - 8.5-9.1 QD1 ILE 93 - HG13 ILE 8 far 0 95 0 - 9.0-10.9 QD2 LEU 70 - HG13 ILE 8 far 0 91 0 - 9.3-10.7 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 0 84 0 - 4.3-5.7 QB ALA 89 - HG13 ILE 8 far 0 87 0 - 7.7-9.8 HB3 ARG 30 - HG13 ILE 8 far 0 99 0 - 8.6-9.0 HB2 LYS 82 - HG13 ILE 8 far 0 92 0 - 9.3-11.9 HG LEU 14 - HG13 ILE 8 far 0 98 0 - 9.5-11.0 HB2 LEU 70 - HG13 ILE 8 far 0 100 0 - 9.6-10.2 HG3 LYS 40 - HG13 ILE 8 far 0 100 0 - 9.7-12.9 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): 1 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 far 15 99 15 - 2.3-4.4 QG2 VAL 58 - HG13 ILE 8 far 0 70 0 - 5.0-7.0 QD2 LEU 6 - HG13 ILE 8 far 0 88 0 - 5.2-5.6 HG13 ILE 56 - HG13 ILE 8 far 0 100 0 - 5.4-7.1 QD1 ILE 56 - HG13 ILE 8 far 0 100 0 - 5.5-6.8 QD2 LEU 14 - HG13 ILE 8 far 0 100 0 - 6.3-7.4 QG1 VAL 5 - HG13 ILE 8 far 0 95 0 - 6.3-8.2 QD1 LEU 64 - HG13 ILE 8 far 0 73 0 - 6.6-8.9 QD1 LEU 14 - HG13 ILE 8 far 0 73 0 - 8.0-9.5 QD1 LEU 42 - HG13 ILE 8 far 0 91 0 - 8.0-8.5 QG2 VAL 78 - HG13 ILE 8 far 0 98 0 - 8.3-9.9 QG1 VAL 78 - HG13 ILE 8 far 0 65 0 - 8.9-10.4 HG3 ARG 81 - HG13 ILE 8 far 0 77 0 - 9.0-13.8 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 4.4-5.4 6104/3.1=100...(11) HE ARG 30 - HG13 ILE 8 far 0 90 0 - 9.1-13.1 H TYR 41 - HG13 ILE 8 far 0 98 0 - 9.1-10.3 H LYS 66 - HG13 ILE 8 far 0 99 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 321 from cnoeabs.peaks (8.80, 0.71, 13.69 ppm; 4.45 A): 1 out of 6 assignments used, quality = 1.00: * H ILE 8 + QD1 ILE 8 OK 100 100 100 100 4.0-4.3 6096/2.1=89, 6094/3.2=77...(11) H SER 59 - QD1 ILE 8 far 0 100 0 - 4.8-5.2 H ARG 81 - QD1 ILE 56 far 0 55 0 - 5.3-5.7 H ARG 81 - QD1 ILE 8 far 0 59 0 - 6.3-6.8 H ILE 8 - QD1 ILE 56 far 0 98 0 - 7.4-7.6 H SER 59 - QD1 ILE 56 far 0 98 0 - 8.8-9.1 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 3.7-3.8 4.1=100 HB THR 34 - QD1 ILE 8 far 0 96 0 - 7.2-7.6 HA ILE 8 - QD1 ILE 56 far 0 98 0 - 8.0-8.2 HA THR 84 - QD1 ILE 8 far 0 73 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 323 from cnoeabs.peaks (1.90, 0.71, 13.69 ppm; 3.47 A): 1 out of 17 assignments used, quality = 1.00: * HB ILE 8 + QD1 ILE 8 OK 100 100 100 100 2.2-2.5 3.2=100 HB VAL 54 - QD1 ILE 56 far 5 95 5 - 3.7-4.1 HG LEU 42 - QD1 ILE 56 far 0 98 0 - 3.9-4.6 HB3 LYS 68 - QD1 ILE 56 far 0 82 0 - 4.4-4.7 HB3 LYS 66 - QD1 ILE 8 far 0 70 0 - 5.1-5.5 HB3 LYS 66 - QD1 ILE 56 far 0 65 0 - 6.5-6.9 HB ILE 8 - QD1 ILE 56 far 0 98 0 - 6.6-7.2 HG LEU 42 - QD1 ILE 8 far 0 100 0 - 6.8-7.1 HB3 LYS 39 - QD1 ILE 56 far 0 67 0 - 7.0-8.7 HB2 LYS 33 - QD1 ILE 8 far 0 90 0 - 7.1-7.6 HB3 LYS 33 - QD1 ILE 8 far 0 92 0 - 7.1-7.6 HB3 LYS 68 - QD1 ILE 8 far 0 87 0 - 7.4-8.0 HB3 LYS 39 - QD1 ILE 8 far 0 71 0 - 7.6-9.0 HB VAL 54 - QD1 ILE 8 far 0 99 0 - 8.2-8.6 HB VAL 5 - QD1 ILE 56 far 0 65 0 - 8.6-9.0 HB VAL 5 - QD1 ILE 8 far 0 70 0 - 9.1-9.6 HB3 LEU 14 - QD1 ILE 8 far 0 100 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 324 from cnoeabs.peaks (0.79, 0.71, 13.69 ppm; 2.52 A): 2 out of 28 assignments used, quality = 0.94: * QG2 ILE 8 + QD1 ILE 8 OK 88 100 100 88 1.9-2.2 3.0=63, 302/2.1=33...(13) QD2 LEU 38 + QD1 ILE 8 OK 47 65 100 72 1.8-2.3 10696=21, 2.1/12201=20...(12) QD2 LEU 38 - QD1 ILE 56 far 6 61 10 - 2.7-3.3 QD2 LEU 42 - QD1 ILE 56 lone 0 87 40 1 2.5-3.1 QG1 VAL 54 - QD1 ILE 56 far 0 80 0 - 3.0-3.6 QD1 LEU 6 - QD1 ILE 56 far 0 91 0 - 3.2-3.4 QD1 LEU 70 - QD1 ILE 56 far 0 74 0 - 4.2-5.2 QD1 LEU 6 - QD1 ILE 8 far 0 96 0 - 4.4-4.7 QD1 LEU 70 - QD1 ILE 8 far 0 79 0 - 4.6-5.2 QD1 ILE 76 - QD1 ILE 56 far 0 93 0 - 4.8-5.4 QD2 LEU 57 - QD1 ILE 56 far 0 96 0 - 5.4-5.7 QG2 ILE 7 - QD1 ILE 8 far 0 98 0 - 5.5-5.6 QD2 LEU 57 - QD1 ILE 8 far 0 99 0 - 5.7-6.2 QG1 VAL 54 - QD1 ILE 8 far 0 85 0 - 5.9-6.3 QD2 LEU 70 - QD1 ILE 56 far 0 86 0 - 6.1-6.6 QG2 ILE 8 - QD1 ILE 56 far 0 98 0 - 6.3-6.7 QD2 LEU 42 - QD1 ILE 8 far 0 92 0 - 6.4-6.7 QD2 LEU 70 - QD1 ILE 8 far 0 91 0 - 6.7-7.4 QD1 ILE 15 - QD1 ILE 8 far 0 82 0 - 7.1-7.9 QG2 ILE 52 - QD1 ILE 56 far 0 96 0 - 7.1-7.8 QG2 ILE 15 - QD1 ILE 8 far 0 88 0 - 7.6-8.3 HG13 ILE 15 - QD1 ILE 8 far 0 73 0 - 7.8-9.0 QG2 ILE 7 - QD1 ILE 56 far 0 94 0 - 7.8-8.0 QD1 ILE 76 - QD1 ILE 8 far 0 97 0 - 8.4-8.9 QD1 ILE 93 - QD1 ILE 8 far 0 95 0 - 8.9-9.4 QD1 ILE 93 - QD1 ILE 56 far 0 90 0 - 9.5-10.0 QD1 LEU 27 - QD1 ILE 56 far 0 89 0 - 9.6-10.0 QG2 ILE 93 - QD1 ILE 56 far 0 61 0 - 9.8-10.3 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 19 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 74 79 100 94 1.9-2.3 10677/2.1=36...(15) QB ALA 67 + QD1 ILE 8 OK 38 84 100 46 2.5-3.0 9527=16, 9528/8313=14...(7) HB2 LEU 70 - QD1 ILE 56 far 0 97 0 - 4.4-5.0 HG12 ILE 8 - QD1 ILE 56 far 0 98 0 - 5.5-6.1 HG3 LYS 68 - QD1 ILE 56 far 0 93 0 - 6.1-6.5 HB2 LEU 70 - QD1 ILE 8 far 0 100 0 - 6.5-6.9 HG2 LYS 39 - QD1 ILE 56 far 0 89 0 - 7.4-8.2 HB3 ARG 30 - QD1 ILE 8 far 0 99 0 - 7.8-8.2 HB3 ARG 30 - QD1 ILE 56 far 0 96 0 - 7.9-8.2 HB2 LYS 82 - QD1 ILE 8 far 0 92 0 - 7.9-8.5 QB ALA 89 - QD1 ILE 8 far 0 87 0 - 8.0-8.5 HG3 LYS 40 - QD1 ILE 8 far 0 100 0 - 8.6-10.3 HG3 LYS 68 - QD1 ILE 8 far 0 97 0 - 8.7-9.1 HB2 LYS 82 - QD1 ILE 56 far 0 87 0 - 8.9-9.3 HG2 LYS 39 - QD1 ILE 8 far 0 94 0 - 9.0-9.9 HG3 LYS 40 - QD1 ILE 56 far 0 97 0 - 9.1-10.3 QB ALA 89 - QD1 ILE 56 far 0 82 0 - 9.5-9.9 HG LEU 14 - QD1 ILE 8 far 0 98 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 326 from cnoeabs.peaks (0.89, 0.71, 13.69 ppm; 2.85 A): 2 out of 13 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 2.3-2.8 2.1/12200=42...(21) QD1 LEU 38 - QD1 ILE 56 poor 20 77 100 26 1.9-2.4 ~10674=11, 2.1/12201=11...(4) QD1 LEU 38 - QD1 ILE 8 far 0 82 0 - 3.6-4.2 QG2 ILE 76 - QD1 ILE 56 far 0 97 0 - 4.9-5.4 HG13 ILE 8 - QD1 ILE 56 far 0 98 0 - 5.5-6.8 QG1 VAL 32 - QD1 ILE 56 far 0 87 0 - 5.5-5.9 HG13 ILE 7 - QD1 ILE 8 far 0 100 0 - 5.9-7.6 QD2 LEU 64 - QD1 ILE 56 far 0 80 0 - 6.9-7.3 QD2 LEU 64 - QD1 ILE 8 far 0 85 0 - 7.0-7.4 QG2 ILE 76 - QD1 ILE 8 far 0 100 0 - 9.0-9.6 HG13 ILE 7 - QD1 ILE 56 far 0 97 0 - 9.1-10.1 QD1 LEU 103 - QD1 ILE 56 far 0 83 0 - 9.6-16.9 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): 1 out of 9 assignments used, quality = 1.00: * H SER 9 + QD1 ILE 8 OK 100 100 100 100 5.4-5.4 6104/3.0=99, 6102/4.1=96...(9) H LYS 66 - QD1 ILE 8 far 0 99 0 - 6.2-6.5 H LYS 66 - QD1 ILE 56 far 0 96 0 - 6.9-7.3 H LYS 73 - QD1 ILE 56 far 0 72 0 - 7.2-7.7 H TYR 41 - QD1 ILE 56 far 0 94 0 - 7.2-7.8 H TYR 41 - QD1 ILE 8 far 0 98 0 - 7.7-8.1 HE ARG 30 - QD1 ILE 8 far 0 90 0 - 8.5-11.7 HE ARG 30 - QD1 ILE 56 far 0 84 0 - 9.7-11.8 H SER 9 - QD1 ILE 56 far 0 98 0 - 9.8-10.0 Violated in 0 structures by 0.00 A. Peak 329 from cnoeabs.peaks (7.81, 4.43, 58.24 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * H SER 9 + HA SER 9 OK 100 100 100 100 2.9-2.9 2.9=100 H LYS 73 - HA ILE 76 far 0 61 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 330 from cnoeabs.peaks (4.43, 4.43, 58.24 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA SER 9 + HA SER 9 OK 100 100 - 100 HA ILE 76 + HA ILE 76 OK 88 88 - 100 Peak 331 from cnoeabs.peaks (2.99, 4.43, 58.24 ppm; 4.03 A): 1 out of 8 assignments used, quality = 1.00: * HB2 SER 9 + HA SER 9 OK 100 100 100 100 2.6-3.0 3.0=100 HE2 LYS 33 - HA SER 9 far 0 79 0 - 6.3-9.8 HB2 PHE 45 - HA ILE 76 far 0 86 0 - 6.3-7.2 HB3 ASP 11 - HA SER 9 far 0 100 0 - 6.4-7.4 HB3 PHE 45 - HA ILE 76 far 0 70 0 - 6.7-7.5 HE3 LYS 33 - HA SER 9 far 0 79 0 - 7.3-10.6 HE2 LYS 12 - HA SER 9 far 0 96 0 - 8.9-11.4 HE3 LYS 12 - HA SER 9 far 0 84 0 - 8.9-11.9 Violated in 0 structures by 0.00 A. Peak 332 from cnoeabs.peaks (3.92, 4.43, 58.24 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 9 + HA SER 9 OK 100 100 100 100 2.6-3.0 3.0=100 HA GLU 63 - HA SER 9 far 0 98 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 333 from cnoeabs.peaks (8.64, 4.43, 58.24 ppm; 3.45 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 10 + HA SER 9 OK 100 100 100 100 2.4-2.6 6114=100, 6115/3.0=43...(10) H ASP 11 - HA SER 9 far 0 73 0 - 4.0-4.2 H ALA 18 - HA SER 9 far 0 97 0 - 10.0-10.8 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 3.1-3.3 4.0=100 Violated in 0 structures by 0.00 A. Peak 335 from cnoeabs.peaks (4.43, 2.99, 64.26 ppm; 4.00 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 9 + HB2 SER 9 OK 100 100 100 100 2.6-3.0 3.0=100 HA VAL 32 - HB2 SER 9 far 0 94 0 - 9.2-9.5 HB THR 84 - HB2 SER 9 far 0 99 0 - 9.4-10.5 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 2 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 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 338 from cnoeabs.peaks (8.64, 2.99, 64.26 ppm; 4.61 A): 2 out of 3 assignments used, quality = 1.00: * H ASN 10 + HB2 SER 9 OK 100 100 100 100 2.9-3.9 4.6=100 H ASP 11 + HB2 SER 9 OK 72 73 100 99 2.9-4.5 8372/2.8=53...(12) H ALA 18 - HB2 SER 9 far 0 97 0 - 7.5-8.3 Violated in 0 structures by 0.00 A. Peak 339 from cnoeabs.peaks (7.81, 3.92, 64.26 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * H SER 9 + HB3 SER 9 OK 100 100 100 100 3.2-3.3 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 2.6-3.0 3.0=100 HB THR 84 - HB2 SER 85 far 0 68 0 - 4.7-6.2 HB THR 84 - HB3 SER 9 far 0 99 0 - 9.0-10.6 HA VAL 32 - HB3 SER 9 far 0 94 0 - 9.3-9.7 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 7 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 - 4.3-6.7 HE2 LYS 33 - HB3 SER 9 far 0 79 0 - 6.6-10.3 HE3 LYS 33 - HB3 SER 9 far 0 79 0 - 6.9-11.2 HE3 LYS 12 - HB3 SER 9 far 0 84 0 - 7.6-11.7 HE2 LYS 12 - HB3 SER 9 far 0 96 0 - 7.9-10.9 HB3 ASP 11 - HB2 SER 85 far 0 72 0 - 9.6-10.5 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 2.7-3.9 6116=100, 6115/1.8=89...(11) H ASP 11 + HB3 SER 9 OK 72 73 100 99 2.5-4.3 10388=65, 8372/2.8=52...(13) H ALA 18 - HB3 SER 9 far 0 97 0 - 7.3-8.4 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 2 assignments used, quality = 1.00: * HB2 ASN 10 + HA ASN 10 OK 100 100 100 100 3.0-3.0 3.0=100 HE3 LYS 12 - HA ASN 10 far 0 63 0 - 4.9-8.3 Violated in 0 structures by 0.00 A. Peak 347 from cnoeabs.peaks (2.75, 4.94, 52.22 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 10 + HA ASN 10 OK 100 100 100 100 2.6-2.7 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 2.4-3.0 6118=100, 6119/1.8=83...(8) H ASP 11 + HB2 ASN 10 OK 72 73 100 98 3.0-3.7 6138=65, 6139/1.8=42...(10) 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 3.0-3.0 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 3.4-4.1 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 2.1-3.5 3.5=100 Violated in 0 structures by 0.00 A. Peak 357 from cnoeabs.peaks (8.67, 2.93, 39.13 ppm; 4.28 A): 2 out of 2 assignments used, quality = 1.00: * H ASP 11 + HB2 ASN 10 OK 100 100 100 100 3.0-3.7 6138=100, 6139/1.8=74...(10) H ASN 10 + HB2 ASN 10 OK 73 73 100 100 2.4-3.0 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 2.6-3.6 6119=100, 6118/1.8=75...(8) H ASP 11 + HB3 ASN 10 OK 71 73 100 97 3.9-4.0 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 2.6-2.7 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 - 5.0-10.8 HB2 ASN 60 - HB3 ASN 10 far 0 65 0 - 9.1-12.0 HE3 LYS 13 - HB3 ASN 10 far 0 77 0 - 9.6-14.4 Violated in 0 structures by 0.00 A. Peak 361 from cnoeabs.peaks (2.75, 2.75, 39.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 10 + HB3 ASN 10 OK 100 100 - 100 Peak 362 from cnoeabs.peaks (6.98, 2.75, 39.13 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 10 + HB3 ASN 10 OK 100 100 100 100 3.4-4.0 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 2.1-3.3 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 3.9-4.0 6138/1.8=88, 6139=82...(10) H ASN 10 + HB3 ASN 10 OK 73 73 100 100 2.6-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 365 from cnoeabs.peaks (8.67, 4.60, 53.23 ppm; 4.00 A): 1 out of 2 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 far 0 73 0 - 4.5-4.7 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 2.7-3.0 3.0=100 HG3 GLU 17 - HA ASP 11 far 0 100 0 - 9.5-11.8 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 2.6-3.0 3.0=100 HE3 LYS 12 - HA ASP 11 far 8 79 10 - 3.5-8.3 HE2 LYS 12 - HA ASP 11 far 5 98 5 - 3.5-7.9 HB2 SER 9 - HA ASP 11 far 0 100 0 - 5.5-7.1 HE3 LYS 13 - HA ASP 11 far 0 65 0 - 5.6-9.6 HE2 LYS 13 - HA ASP 11 far 0 70 0 - 6.6-9.5 HE2 LYS 33 - HA ASP 11 far 0 84 0 - 8.3-10.7 HE3 LYS 33 - HA ASP 11 far 0 84 0 - 8.4-11.6 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 2.1-2.2 6148=96, 6145/3.0=25...(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 2.2-2.4 6143=100, 6144/1.8=49...(12) H ASN 10 + HB2 ASP 11 OK 66 73 100 90 3.6-4.0 4.6/6143=40, 6271=32...(9) H ALA 18 - HB2 ASP 11 far 0 94 0 - 8.8-10.0 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 2.7-3.0 3.0=100 HA THR 84 - HB2 ASP 11 far 0 95 0 - 7.4-8.3 HA ILE 8 - HB2 ASP 11 far 0 96 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 372 from cnoeabs.peaks (2.43, 2.43, 40.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 11 + HB2 ASP 11 OK 100 100 - 100 Peak 373 from cnoeabs.peaks (2.99, 2.43, 40.97 ppm; 3.07 A): 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 - 4.1-6.0 HE3 LYS 13 - HB2 ASP 11 far 0 65 0 - 6.1-9.9 HE2 LYS 12 - HB2 ASP 11 far 0 98 0 - 6.3-10.3 HE3 LYS 12 - HB2 ASP 11 far 0 79 0 - 6.3-10.5 HE2 LYS 13 - HB2 ASP 11 far 0 70 0 - 7.4-10.3 HE2 LYS 33 - HB2 ASP 11 far 0 84 0 - 9.3-12.0 HE3 LYS 33 - HB2 ASP 11 far 0 84 0 - 9.6-12.9 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 4.4-4.6 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): 1 out of 3 assignments used, quality = 1.00: * H ASP 11 + HB3 ASP 11 OK 100 100 100 100 2.8-3.6 4.0=100 H ASN 10 - HB3 ASP 11 far 0 73 0 - 4.6-5.4 H ALA 18 - HB3 ASP 11 far 0 94 0 - 8.2-8.9 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 2.6-3.0 3.0=100 HA THR 84 - HB3 ASP 11 far 0 95 0 - 8.2-9.3 HA ILE 8 - HB3 ASP 11 far 0 96 0 - 9.4-10.5 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 - 7.2-9.7 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 3.5-4.1 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 2.8-2.8 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 6 assignments used, quality = 1.00: HB3 LYS 12 + HA LYS 12 OK 99 100 100 99 3.0-3.0 3.0=87, 6152/2.9=41...(17) * HB2 LYS 12 + HA LYS 12 OK 99 100 100 99 2.6-2.7 3.0=87, 3.0/384=38...(20) HB3 LEU 14 - HA LYS 12 far 0 61 0 - 5.3-5.5 HB3 LYS 90 - HA LYS 94 far 0 46 0 - 6.5-7.3 HB2 ARG 19 - HA LYS 12 far 0 81 0 - 8.8-9.4 HB VAL 5 - HA LYS 94 far 0 69 0 - 9.1-9.7 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 6 assignments used, quality = 1.00: * HB3 LYS 12 + HA LYS 12 OK 99 100 100 99 3.0-3.0 3.0=87, 6153/2.9=41...(17) HB2 LYS 12 + HA LYS 12 OK 99 100 100 99 2.6-2.7 3.0=87, 3.0/384=38...(20) HB3 LEU 14 - HA LYS 12 far 0 65 0 - 5.3-5.5 HB3 LYS 90 - HA LYS 94 far 0 43 0 - 6.5-7.3 HB2 ARG 19 - HA LYS 12 far 0 84 0 - 8.8-9.4 HB VAL 5 - HA LYS 94 far 0 69 0 - 9.1-9.7 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 7 assignments used, quality = 1.00: * HG2 LYS 12 + HA LYS 12 OK 100 100 100 100 2.3-2.6 3.7=71, 415/2.9=38...(26) HG2 LYS 13 - HA LYS 12 far 0 96 0 - 6.1-7.2 QB ALA 22 - HA LYS 94 far 0 66 0 - 6.6-7.4 HB2 LEU 27 - HA LYS 94 far 0 65 0 - 6.8-8.1 HG3 ARG 91 - HA LYS 94 far 0 68 0 - 7.0-8.2 HG12 ILE 7 - HA LYS 12 far 0 91 0 - 9.1-9.5 HG2 LYS 20 - HA LYS 12 far 0 98 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 385 from cnoeabs.peaks (1.59, 3.85, 59.58 ppm; 3.75 A increased from 3.53 A): 1 out of 7 assignments used, quality = 1.00: * HG3 LYS 12 + HA LYS 12 OK 100 100 100 100 3.6-3.7 3.7=100 HD2 LYS 94 - HA LYS 94 poor 12 46 25 - 3.6-4.8 HD3 LYS 94 - HA LYS 94 far 0 69 0 - 4.2-5.5 HG LEU 27 - HA LYS 94 far 0 69 0 - 6.1-6.9 HG2 ARG 19 - HA LYS 12 far 0 99 0 - 6.2-9.0 HG2 LYS 24 - HA LYS 94 far 0 67 0 - 7.6-9.4 HG3 LYS 90 - HA LYS 94 far 0 66 0 - 8.1-8.9 Violated in 0 structures by 0.00 A. Peak 386 from cnoeabs.peaks (1.70, 3.85, 59.58 ppm; 2.91 A): 3 out of 17 assignments used, quality = 0.92: HB ILE 15 + HA LYS 12 OK 72 79 100 92 2.2-2.7 3.2/8381=38, 644=37...(12) HD3 LYS 12 + HA LYS 12 OK 53 100 55 97 2.3-3.8 3.0/384=40, 3.0/460=20...(36) * HD2 LYS 12 + HA LYS 12 OK 39 100 40 97 2.4-4.0 3.0/384=40, 3.0/460=20...(38) HG12 ILE 15 - HA LYS 12 far 0 100 0 - 3.9-4.9 HD2 LYS 13 - HA LYS 12 far 0 100 0 - 6.2-8.2 HD3 LYS 13 - HA LYS 12 far 0 100 0 - 6.4-8.4 HD3 LYS 24 - HA LYS 94 far 0 69 0 - 6.5-10.4 HD2 LYS 24 - HA LYS 94 far 0 69 0 - 7.1-10.0 HD3 LYS 33 - HA LYS 12 far 0 87 0 - 8.0-9.9 HB3 ARG 91 - HA LYS 94 far 0 60 0 - 8.2-8.5 HD2 LYS 20 - HA LYS 12 far 0 88 0 - 8.2-9.8 HG3 LYS 20 - HA LYS 12 far 0 84 0 - 8.8-12.0 HD2 LYS 33 - HA LYS 12 far 0 87 0 - 8.8-10.5 HD3 LYS 20 - HA LYS 12 far 0 84 0 - 8.8-11.0 HG2 PRO 86 - HA LYS 12 far 0 99 0 - 9.4-10.9 HD2 LYS 90 - HA LYS 94 far 0 34 0 - 9.5-10.3 HD3 LYS 90 - HA LYS 94 far 0 69 0 - 9.6-11.1 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 17 assignments used, quality = 0.92: HB ILE 15 + HA LYS 12 OK 72 79 100 92 2.2-2.7 3.2/8381=38, 644=37...(12) * HD3 LYS 12 + HA LYS 12 OK 53 100 55 97 2.3-3.8 3.0/384=40, 3.0/460=20...(36) HD2 LYS 12 + HA LYS 12 OK 39 100 40 97 2.4-4.0 3.0/384=40, 3.0/460=20...(38) HG12 ILE 15 - HA LYS 12 far 0 100 0 - 3.9-4.9 HD2 LYS 13 - HA LYS 12 far 0 100 0 - 6.2-8.2 HD3 LYS 13 - HA LYS 12 far 0 100 0 - 6.4-8.4 HD3 LYS 24 - HA LYS 94 far 0 69 0 - 6.5-10.4 HD2 LYS 24 - HA LYS 94 far 0 69 0 - 7.1-10.0 HD3 LYS 33 - HA LYS 12 far 0 87 0 - 8.0-9.9 HB3 ARG 91 - HA LYS 94 far 0 60 0 - 8.2-8.5 HD2 LYS 20 - HA LYS 12 far 0 88 0 - 8.2-9.8 HG3 LYS 20 - HA LYS 12 far 0 84 0 - 8.8-12.0 HD2 LYS 33 - HA LYS 12 far 0 87 0 - 8.8-10.5 HD3 LYS 20 - HA LYS 12 far 0 84 0 - 8.8-11.0 HG2 PRO 86 - HA LYS 12 far 0 99 0 - 9.4-10.9 HD2 LYS 90 - HA LYS 94 far 0 34 0 - 9.5-10.3 HD3 LYS 90 - HA LYS 94 far 0 69 0 - 9.6-11.1 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 2.6-4.9 6.3=100 HB3 ASP 11 + HA LYS 12 OK 98 98 100 100 4.9-5.1 6171/3.6=83, ~369=82...(9) HB2 SER 9 + HA LYS 12 OK 54 96 65 86 5.5-7.5 8444/8450=65...(5) HE3 LYS 33 - HA LYS 12 far 5 98 5 - 6.7-10.2 HE2 LYS 33 - HA LYS 12 far 5 98 5 - 6.8-9.0 Violated in 0 structures by 0.00 A. Peak 389 from cnoeabs.peaks (2.96, 3.85, 59.58 ppm; 5.20 A): 2 out of 10 assignments used, quality = 1.00: * HE3 LYS 12 + HA LYS 12 OK 100 100 100 100 2.1-5.0 1.8/460=87, 4.0/384=84...(28) HB3 ASP 11 + HA LYS 12 OK 78 79 100 98 4.9-5.1 ~369=56, ~6148=55...(9) HB2 SER 9 - HA LYS 12 far 8 84 10 - 5.5-7.5 HE3 LYS 13 - HA LYS 12 far 0 100 0 - 5.7-9.4 HG2 MET 21 - HA LYS 94 far 0 52 0 - 5.7-6.7 HE2 LYS 13 - HA LYS 12 far 0 100 0 - 6.5-9.8 HE2 LYS 24 - HA LYS 94 far 0 69 0 - 6.9-11.8 HB2 ASN 10 - HA LYS 12 far 0 63 0 - 7.4-8.1 HE3 LYS 24 - HA LYS 94 far 0 69 0 - 8.0-12.1 HE3 LYS 90 - HA LYS 94 far 0 47 0 - 9.2-11.5 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 3.4-3.5 3.6=96, 6166/3.0=60...(12) H ILE 15 + HA LYS 12 OK 99 100 100 99 3.2-3.5 6206=78, 6217/644=54...(12) H GLU 17 - HA LYS 12 far 0 98 0 - 6.1-6.6 H LYS 90 - HA LYS 94 far 0 47 0 - 8.4-9.0 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 3.4-3.5 3.6=96, 6166/3.0=60...(12) * H ILE 15 + HA LYS 12 OK 99 100 100 99 3.2-3.5 6206=78, 6217/644=54...(12) H GLU 17 - HA LYS 12 far 0 99 0 - 6.1-6.6 H LYS 90 - HA LYS 94 far 0 49 0 - 8.4-9.0 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 2.2-2.7 644=63, 3.2/8381=44...(12) HD3 LYS 12 + HA LYS 12 OK 66 79 85 98 2.3-3.8 3.0/384=45, 3.0/460=24...(39) HD2 LYS 12 + HA LYS 12 OK 35 79 45 98 2.4-4.0 3.0/384=45, 3.0/460=24...(38) HG12 ILE 15 - HA LYS 12 far 0 65 0 - 3.9-4.9 HD2 LYS 13 - HA LYS 12 far 0 79 0 - 6.2-8.2 HD3 LYS 13 - HA LYS 12 far 0 82 0 - 6.4-8.4 HD3 LYS 24 - HA LYS 94 far 0 42 0 - 6.5-10.4 HD2 LYS 24 - HA LYS 94 far 0 41 0 - 7.1-10.0 HG3 ARG 19 - HA LYS 12 far 0 75 0 - 7.1-8.2 HD3 LYS 33 - HA LYS 12 far 0 100 0 - 8.0-9.9 HD2 LYS 33 - HA LYS 12 far 0 100 0 - 8.8-10.5 HG2 PRO 86 - HA LYS 12 far 0 63 0 - 9.4-10.9 HD2 LYS 90 - HA LYS 94 far 0 66 0 - 9.5-10.3 HD3 LYS 90 - HA LYS 94 far 0 42 0 - 9.6-11.1 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 100 100 100 100 2.2-2.4 6152=100, 6163/6165=46...(14) * H LYS 12 + HB2 LYS 12 OK 99 100 100 99 3.5-3.6 6152/1.8=75, 4.0=58...(14) H VAL 58 - HB3 LYS 68 far 0 78 0 - 8.2-8.7 H VAL 58 - HB2 LYS 68 far 0 48 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 394 from cnoeabs.peaks (3.85, 1.86, 32.38 ppm; 3.15 A): 2 out of 13 assignments used, quality = 1.00: * HA LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.6-2.7 3.0=100 HA LYS 12 + HB3 LYS 12 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 40 - HB3 LYS 39 far 0 89 0 - 4.0-5.7 HA GLU 35 - HB3 LYS 39 far 0 62 0 - 4.9-6.4 HA ALA 67 - HB3 LYS 68 far 0 90 0 - 5.7-5.8 HA LEU 38 - HB3 LYS 39 far 0 81 0 - 5.8-6.2 HA ALA 71 - HB3 LYS 39 far 0 89 0 - 6.3-8.5 HA ALA 67 - HB2 LYS 68 far 0 57 0 - 6.6-6.6 HA ALA 67 - HB3 LYS 39 far 0 92 0 - 6.7-9.0 HA GLU 43 - HB3 LYS 39 far 0 68 0 - 7.2-8.4 HA ALA 71 - HB2 LYS 68 far 0 55 0 - 7.4-7.8 HA ALA 22 - HB2 LYS 20 far 0 44 0 - 7.7-8.5 HA ALA 71 - HB3 LYS 68 far 0 87 0 - 7.9-8.3 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): 4 out of 22 assignments used, quality = 1.00: * HG2 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HG2 LYS 20 + HB2 LYS 20 OK 59 59 100 100 2.2-3.0 3.0=100 HG LEU 64 - HB3 LYS 68 far 0 55 0 - 3.6-4.5 HB2 LEU 38 - HB3 LYS 39 far 0 89 0 - 3.9-6.3 QB ALA 71 - HB2 LYS 68 far 0 32 0 - 4.4-4.9 HG2 LYS 13 - HB3 LYS 12 far 0 96 0 - 4.5-6.0 QB ALA 71 - HB3 LYS 68 far 0 55 0 - 4.8-5.2 HG2 LYS 13 - HB2 LYS 12 far 0 96 0 - 4.8-6.5 HG LEU 64 - HB2 LYS 68 far 0 32 0 - 5.0-5.8 HG LEU 38 - HB3 LYS 39 far 0 86 0 - 6.0-7.4 QB ALA 22 - HB2 LYS 20 far 0 61 0 - 6.2-6.8 QB ALA 71 - HB3 LYS 39 far 0 56 0 - 6.5-8.3 HD2 LYS 40 - HB3 LYS 39 far 0 81 0 - 6.6-8.8 HD3 LYS 40 - HB3 LYS 39 far 0 80 0 - 7.0-9.8 HG LEU 38 - HB3 LYS 68 far 0 84 0 - 7.9-8.7 HG LEU 38 - HB2 LYS 68 far 0 53 0 - 8.8-9.7 HD2 LYS 82 - HB3 LYS 68 far 0 84 0 - 8.9-10.4 HG2 LYS 20 - HB2 LYS 12 far 0 98 0 - 9.4-10.5 HG13 ILE 76 - HB3 LYS 39 far 0 89 0 - 9.6-10.9 HB2 LEU 38 - HB3 LYS 68 far 0 87 0 - 9.7-10.8 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 16 assignments used, quality = 1.00: * HG3 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.4-2.7 3.0=100 HG3 LYS 12 + HB3 LYS 12 OK 100 100 100 100 2.2-2.5 3.0=100 HG2 LYS 24 - HB2 LYS 20 far 0 62 0 - 4.4-8.9 HG3 LYS 90 - HB2 LYS 20 far 0 61 0 - 6.2-7.4 HG2 ARG 19 - HB2 LYS 20 far 0 61 0 - 6.4-8.4 HG3 LYS 73 - HB3 LYS 39 far 0 91 0 - 6.5-11.6 HG2 ARG 19 - HB2 LYS 12 far 0 99 0 - 7.1-9.8 HD2 LYS 66 - HB3 LYS 39 far 0 90 0 - 7.3-12.5 HB2 ARG 79 - HB3 LYS 68 far 0 89 0 - 7.8-9.1 HG3 LYS 73 - HB2 LYS 68 far 0 57 0 - 8.2-9.6 HB2 ARG 79 - HB2 LYS 68 far 0 57 0 - 8.3-9.4 HG2 ARG 19 - HB3 LYS 12 far 0 99 0 - 8.6-11.4 HB3 LEU 29 - HB2 LYS 20 far 0 63 0 - 8.8-9.7 HG3 LYS 73 - HB3 LYS 68 far 0 89 0 - 9.4-10.5 HD2 LYS 66 - HB3 LYS 68 far 0 88 0 - 9.6-10.4 HD2 LYS 66 - HB2 LYS 68 far 0 56 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 399 from cnoeabs.peaks (1.70, 1.86, 32.38 ppm; 3.03 A): 6 out of 46 assignments used, quality = 0.96: HD3 LYS 12 + HB3 LYS 12 OK 50 100 50 99 2.4-3.9 3.6=61, 6157/6152=17...(78) HD3 LYS 12 + HB2 LYS 12 OK 50 100 50 99 2.1-3.7 3.6=61, 386/3.0=16...(78) HG3 LYS 20 + HB2 LYS 20 OK 46 46 100 100 2.3-3.0 3.0=100 * HD2 LYS 12 + HB2 LYS 12 OK 45 100 45 99 2.2-4.2 3.6=61, ~463=13, ~464=13...(78) HD3 LYS 20 + HB2 LYS 20 OK 31 46 70 95 2.1-3.9 3.5=63, ~848=14, ~883=14...(51) HD2 LYS 12 + HB3 LYS 12 OK 25 100 25 99 3.1-4.1 3.6=61, ~463=13, ~464=13...(78) HB3 LEU 70 - HB3 LYS 39 far 9 85 10 - 3.0-5.9 HD2 LYS 20 - HB2 LYS 20 far 7 50 15 - 2.4-4.0 HD3 LYS 24 - HB2 LYS 20 far 3 63 5 - 3.2-9.6 HD2 LYS 24 - HB2 LYS 20 far 0 63 0 - 3.7-8.3 HB ILE 15 - HB2 LYS 12 far 0 79 0 - 4.0-4.8 HB3 LYS 40 - HB3 LYS 39 far 0 83 0 - 4.5-6.9 HG LEU 70 - HB3 LYS 39 far 0 92 0 - 4.8-7.6 HD2 LYS 13 - HB3 LYS 12 far 0 100 0 - 4.9-7.3 HD2 LYS 13 - HB2 LYS 12 far 0 100 0 - 4.9-7.5 HD3 LYS 13 - HB3 LYS 12 far 0 100 0 - 5.0-7.4 HB ILE 15 - HB3 LYS 12 far 0 79 0 - 5.0-5.5 HD3 LYS 13 - HB2 LYS 12 far 0 100 0 - 5.1-7.6 HD2 LYS 73 - HB3 LYS 39 far 0 60 0 - 6.1-11.3 HG12 ILE 15 - HB2 LYS 12 far 0 100 0 - 6.4-7.5 HG12 ILE 15 - HB3 LYS 12 far 0 100 0 - 6.6-7.9 HD2 LYS 20 - HB2 LYS 12 far 0 88 0 - 7.7-9.3 HD3 LYS 73 - HB3 LYS 39 far 0 56 0 - 7.7-11.6 HD3 LYS 90 - HB2 LYS 20 far 0 63 0 - 7.8-9.0 HD3 LYS 20 - HB2 LYS 12 far 0 84 0 - 8.1-10.2 HG LEU 70 - HB3 LYS 68 far 0 90 0 - 8.1-8.9 HG LEU 70 - HB2 LYS 68 far 0 57 0 - 8.1-8.8 HD3 LYS 66 - HB3 LYS 39 far 0 92 0 - 8.3-11.9 HG3 LYS 20 - HB2 LYS 12 far 0 84 0 - 8.4-11.9 HD3 LYS 66 - HB3 LYS 68 far 0 90 0 - 8.4-8.9 HB3 LEU 70 - HB2 LYS 68 far 0 52 0 - 8.7-9.0 HB3 LEU 70 - HB3 LYS 68 far 0 83 0 - 8.7-9.1 HD2 LYS 90 - HB2 LYS 20 far 0 31 0 - 8.7-10.0 HD3 LYS 66 - HB2 LYS 68 far 0 57 0 - 8.8-9.2 HD2 ARG 81 - HB3 LYS 68 far 0 71 0 - 9.1-11.1 HD2 LYS 20 - HB3 LYS 12 far 0 88 0 - 9.2-10.8 HB ILE 15 - HB2 LYS 20 far 0 43 0 - 9.2-11.1 HD2 LYS 13 - HB2 LYS 20 far 0 63 0 - 9.3-14.4 HD3 LYS 13 - HB2 LYS 20 far 0 63 0 - 9.5-13.6 HD3 LYS 33 - HB3 LYS 12 far 0 87 0 - 9.5-11.4 HD3 LYS 33 - HB2 LYS 12 far 0 87 0 - 9.6-11.8 HD3 LYS 20 - HB3 LYS 12 far 0 84 0 - 9.7-11.8 HG2 PRO 86 - HB3 LYS 12 far 0 99 0 - 9.8-11.8 HD2 LYS 73 - HB2 LYS 68 far 0 34 0 - 9.9-11.8 HG2 PRO 86 - HB2 LYS 12 far 0 99 0 - 9.9-11.5 HG3 LYS 20 - HB3 LYS 12 far 0 84 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 400 from cnoeabs.peaks (1.70, 1.86, 32.38 ppm; 3.03 A): 6 out of 46 assignments used, quality = 0.96: HD3 LYS 12 + HB3 LYS 12 OK 50 100 50 99 2.4-3.9 3.6=61, 6157/6152=17...(78) * HD3 LYS 12 + HB2 LYS 12 OK 50 100 50 99 2.1-3.7 3.6=61, 386/3.0=16...(78) HG3 LYS 20 + HB2 LYS 20 OK 46 46 100 100 2.3-3.0 3.0=100 HD2 LYS 12 + HB2 LYS 12 OK 45 100 45 99 2.2-4.2 3.6=61, ~463=13, ~464=13...(78) HD3 LYS 20 + HB2 LYS 20 OK 31 46 70 95 2.1-3.9 3.5=63, ~848=14, ~883=14...(51) HD2 LYS 12 + HB3 LYS 12 OK 25 100 25 99 3.1-4.1 3.6=61, ~463=13, ~464=13...(78) HB3 LEU 70 - HB3 LYS 39 far 9 85 10 - 3.0-5.9 HD2 LYS 20 - HB2 LYS 20 far 7 50 15 - 2.4-4.0 HD3 LYS 24 - HB2 LYS 20 far 3 63 5 - 3.2-9.6 HD2 LYS 24 - HB2 LYS 20 far 0 63 0 - 3.7-8.3 HB ILE 15 - HB2 LYS 12 far 0 79 0 - 4.0-4.8 HB3 LYS 40 - HB3 LYS 39 far 0 83 0 - 4.5-6.9 HG LEU 70 - HB3 LYS 39 far 0 92 0 - 4.8-7.6 HD2 LYS 13 - HB3 LYS 12 far 0 100 0 - 4.9-7.3 HD2 LYS 13 - HB2 LYS 12 far 0 100 0 - 4.9-7.5 HD3 LYS 13 - HB3 LYS 12 far 0 100 0 - 5.0-7.4 HB ILE 15 - HB3 LYS 12 far 0 79 0 - 5.0-5.5 HD3 LYS 13 - HB2 LYS 12 far 0 100 0 - 5.1-7.6 HD2 LYS 73 - HB3 LYS 39 far 0 60 0 - 6.1-11.3 HG12 ILE 15 - HB2 LYS 12 far 0 100 0 - 6.4-7.5 HG12 ILE 15 - HB3 LYS 12 far 0 100 0 - 6.6-7.9 HD2 LYS 20 - HB2 LYS 12 far 0 88 0 - 7.7-9.3 HD3 LYS 73 - HB3 LYS 39 far 0 56 0 - 7.7-11.6 HD3 LYS 90 - HB2 LYS 20 far 0 63 0 - 7.8-9.0 HD3 LYS 20 - HB2 LYS 12 far 0 84 0 - 8.1-10.2 HG LEU 70 - HB3 LYS 68 far 0 90 0 - 8.1-8.9 HG LEU 70 - HB2 LYS 68 far 0 57 0 - 8.1-8.8 HD3 LYS 66 - HB3 LYS 39 far 0 92 0 - 8.3-11.9 HG3 LYS 20 - HB2 LYS 12 far 0 84 0 - 8.4-11.9 HD3 LYS 66 - HB3 LYS 68 far 0 90 0 - 8.4-8.9 HB3 LEU 70 - HB2 LYS 68 far 0 52 0 - 8.7-9.0 HB3 LEU 70 - HB3 LYS 68 far 0 83 0 - 8.7-9.1 HD2 LYS 90 - HB2 LYS 20 far 0 31 0 - 8.7-10.0 HD3 LYS 66 - HB2 LYS 68 far 0 57 0 - 8.8-9.2 HD2 ARG 81 - HB3 LYS 68 far 0 71 0 - 9.1-11.1 HD2 LYS 20 - HB3 LYS 12 far 0 88 0 - 9.2-10.8 HB ILE 15 - HB2 LYS 20 far 0 43 0 - 9.2-11.1 HD2 LYS 13 - HB2 LYS 20 far 0 63 0 - 9.3-14.4 HD3 LYS 13 - HB2 LYS 20 far 0 63 0 - 9.5-13.6 HD3 LYS 33 - HB3 LYS 12 far 0 87 0 - 9.5-11.4 HD3 LYS 33 - HB2 LYS 12 far 0 87 0 - 9.6-11.8 HD3 LYS 20 - HB3 LYS 12 far 0 84 0 - 9.7-11.8 HG2 PRO 86 - HB3 LYS 12 far 0 99 0 - 9.8-11.8 HD2 LYS 73 - HB2 LYS 68 far 0 34 0 - 9.9-11.8 HG2 PRO 86 - HB2 LYS 12 far 0 99 0 - 9.9-11.5 HG3 LYS 20 - HB3 LYS 12 far 0 84 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 401 from cnoeabs.peaks (3.01, 1.86, 32.38 ppm; 4.81 A): 2 out of 11 assignments used, quality = 1.00: * HE2 LYS 12 + HB2 LYS 12 OK 100 100 100 100 3.6-5.0 4.8=100 HE2 LYS 12 + HB3 LYS 12 OK 100 100 100 100 2.0-5.0 4.8=100 HB3 ASP 11 - HB3 LYS 12 far 0 97 0 - 5.2-5.9 HB3 ASP 11 - HB2 LYS 12 far 0 98 0 - 6.1-6.6 HB2 SER 9 - HB3 LYS 12 far 0 95 0 - 7.9-9.8 HB2 SER 9 - HB2 LYS 12 far 0 96 0 - 8.0-10.0 HE2 LYS 33 - HB2 LYS 12 far 0 98 0 - 8.3-10.6 HE2 LYS 33 - HB3 LYS 12 far 0 97 0 - 8.5-11.1 HE3 LYS 33 - HB3 LYS 12 far 0 97 0 - 8.6-12.0 HE3 LYS 33 - HB2 LYS 12 far 0 98 0 - 8.8-11.8 HB2 PHE 45 - HB3 LYS 39 far 0 75 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 402 from cnoeabs.peaks (2.96, 1.86, 32.38 ppm; 4.92 A): 2 out of 21 assignments used, quality = 0.97: * HE3 LYS 12 + HB2 LYS 12 OK 85 100 85 100 3.1-5.5 4.8=100 HE3 LYS 12 + HB3 LYS 12 OK 80 100 80 100 2.1-5.5 4.8=100 HE2 LYS 24 - HB2 LYS 20 poor 16 63 25 - 3.7-9.3 HB3 ASP 11 - HB3 LYS 12 far 12 79 15 - 5.2-5.9 HE2 LYS 13 - HB2 LYS 12 far 5 100 5 - 5.2-8.6 HE3 LYS 13 - HB2 LYS 12 far 5 100 5 - 4.0-8.2 HE3 LYS 13 - HB3 LYS 12 far 5 100 5 - 4.1-7.9 HE3 LYS 24 - HB2 LYS 20 lone 0 63 40 1 3.9-10.0 HE2 LYS 13 - HB3 LYS 12 far 0 100 0 - 5.5-8.2 HE2 LYS 73 - HB3 LYS 39 far 0 86 0 - 5.8-12.9 HB3 ASP 11 - HB2 LYS 12 far 0 79 0 - 6.1-6.6 HE3 LYS 73 - HB3 LYS 39 far 0 81 0 - 6.2-13.3 HG2 MET 21 - HB2 LYS 20 far 0 48 0 - 6.2-7.7 HE3 LYS 90 - HB2 LYS 20 far 0 43 0 - 6.5-7.8 HB2 ASN 10 - HB3 LYS 12 far 0 63 0 - 7.9-9.0 HB2 SER 9 - HB3 LYS 12 far 0 84 0 - 7.9-9.8 HB2 SER 9 - HB2 LYS 12 far 0 84 0 - 8.0-10.0 HE3 LYS 73 - HB2 LYS 68 far 0 49 0 - 9.1-12.6 HB2 ASN 10 - HB2 LYS 12 far 0 63 0 - 9.2-10.1 HE2 LYS 73 - HB2 LYS 68 far 0 53 0 - 9.5-12.9 HB2 PHE 45 - HB3 LYS 39 far 0 82 0 - 9.9-10.4 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 11 assignments used, quality = 1.00: H LYS 13 + HB3 LYS 12 OK 100 100 100 100 2.8-3.2 6165=100, 6163/6152=47...(9) H LYS 39 + HB3 LYS 39 OK 90 90 100 100 2.5-2.9 6605=95, 6604/1.8=71...(14) * H LYS 13 + HB2 LYS 12 OK 53 100 55 96 3.4-3.7 6165/1.8=74, 4.2=49...(9) H ILE 15 - HB2 LYS 12 far 0 100 0 - 5.0-5.4 H ILE 15 - HB3 LYS 12 far 0 100 0 - 5.4-5.8 H GLU 17 - HB2 LYS 20 far 0 59 0 - 6.1-7.1 H GLU 17 - HB2 LYS 12 far 0 98 0 - 6.4-7.1 H GLU 17 - HB3 LYS 12 far 0 98 0 - 7.4-8.1 H GLU 75 - HB2 LYS 68 far 0 57 0 - 9.4-10.0 H LYS 90 - HB2 LYS 20 far 0 43 0 - 9.5-10.5 H ILE 15 - HB2 LYS 20 far 0 63 0 - 9.7-11.2 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 100 100 100 100 2.2-2.4 6153=100, 6163/6166=46...(14) H LYS 12 + HB2 LYS 12 OK 99 100 100 99 3.5-3.6 6152/1.8=75, 4.0=58...(14) H VAL 58 - HB3 LYS 68 far 0 79 0 - 8.2-8.7 H VAL 58 - HB2 LYS 68 far 0 44 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 405 from cnoeabs.peaks (3.85, 1.87, 32.38 ppm; 3.15 A): 2 out of 13 assignments used, quality = 1.00: * HA LYS 12 + HB3 LYS 12 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.6-2.7 3.0=100 HA LYS 40 - HB3 LYS 39 far 0 88 0 - 4.0-5.7 HA GLU 35 - HB3 LYS 39 far 0 61 0 - 4.9-6.4 HA ALA 67 - HB3 LYS 68 far 0 91 0 - 5.7-5.8 HA LEU 38 - HB3 LYS 39 far 0 80 0 - 5.8-6.2 HA ALA 71 - HB3 LYS 39 far 0 89 0 - 6.3-8.5 HA ALA 67 - HB2 LYS 68 far 0 53 0 - 6.6-6.6 HA ALA 67 - HB3 LYS 39 far 0 91 0 - 6.7-9.0 HA GLU 43 - HB3 LYS 39 far 0 68 0 - 7.2-8.4 HA ALA 71 - HB2 LYS 68 far 0 51 0 - 7.4-7.8 HA ALA 22 - HB2 LYS 20 far 0 48 0 - 7.7-8.5 HA ALA 71 - HB3 LYS 68 far 0 89 0 - 7.9-8.3 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): 4 out of 22 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 2.4-3.0 3.0=100 HG3 LYS 39 + HB3 LYS 39 OK 91 91 100 100 2.3-3.0 3.0=100 HG2 LYS 20 + HB2 LYS 20 OK 64 64 100 100 2.2-3.0 3.0=100 HG LEU 64 - HB3 LYS 68 far 0 56 0 - 3.6-4.5 HB2 LEU 38 - HB3 LYS 39 far 0 88 0 - 3.9-6.3 QB ALA 71 - HB2 LYS 68 far 0 29 0 - 4.4-4.9 HG2 LYS 13 - HB3 LYS 12 far 0 96 0 - 4.5-6.0 QB ALA 71 - HB3 LYS 68 far 0 56 0 - 4.8-5.2 HG2 LYS 13 - HB2 LYS 12 far 0 96 0 - 4.8-6.5 HG LEU 64 - HB2 LYS 68 far 0 29 0 - 5.0-5.8 HG LEU 38 - HB3 LYS 39 far 0 85 0 - 6.0-7.4 QB ALA 22 - HB2 LYS 20 far 0 65 0 - 6.2-6.8 QB ALA 71 - HB3 LYS 39 far 0 56 0 - 6.5-8.3 HD2 LYS 40 - HB3 LYS 39 far 0 80 0 - 6.6-8.8 HD3 LYS 40 - HB3 LYS 39 far 0 79 0 - 7.0-9.8 HG LEU 38 - HB3 LYS 68 far 0 85 0 - 7.9-8.7 HG LEU 38 - HB2 LYS 68 far 0 48 0 - 8.8-9.7 HD2 LYS 82 - HB3 LYS 68 far 0 85 0 - 8.9-10.4 HG2 LYS 20 - HB2 LYS 12 far 0 98 0 - 9.4-10.5 HG13 ILE 76 - HB3 LYS 39 far 0 89 0 - 9.6-10.9 HB2 LEU 38 - HB3 LYS 68 far 0 88 0 - 9.7-10.8 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 16 assignments used, quality = 1.00: * HG3 LYS 12 + HB3 LYS 12 OK 100 100 100 100 2.2-2.5 3.0=100 HG3 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.4-2.7 3.0=100 HG2 LYS 24 - HB2 LYS 20 far 0 66 0 - 4.4-8.9 HG3 LYS 90 - HB2 LYS 20 far 0 65 0 - 6.2-7.4 HG2 ARG 19 - HB2 LYS 20 far 0 66 0 - 6.4-8.4 HG3 LYS 73 - HB3 LYS 39 far 0 91 0 - 6.5-11.6 HG2 ARG 19 - HB2 LYS 12 far 0 99 0 - 7.1-9.8 HD2 LYS 66 - HB3 LYS 39 far 0 90 0 - 7.3-12.5 HB2 ARG 79 - HB3 LYS 68 far 0 90 0 - 7.8-9.1 HG3 LYS 73 - HB2 LYS 68 far 0 52 0 - 8.2-9.6 HB2 ARG 79 - HB2 LYS 68 far 0 52 0 - 8.3-9.4 HG2 ARG 19 - HB3 LYS 12 far 0 99 0 - 8.6-11.4 HB3 LEU 29 - HB2 LYS 20 far 0 68 0 - 8.8-9.7 HG3 LYS 73 - HB3 LYS 68 far 0 91 0 - 9.4-10.5 HD2 LYS 66 - HB3 LYS 68 far 0 90 0 - 9.6-10.4 HD2 LYS 66 - HB2 LYS 68 far 0 51 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 410 from cnoeabs.peaks (1.70, 1.87, 32.38 ppm; 3.03 A): 6 out of 46 assignments used, quality = 0.97: HG3 LYS 20 + HB2 LYS 20 OK 50 50 100 100 2.3-3.0 3.0=100 HD3 LYS 12 + HB3 LYS 12 OK 50 100 50 99 2.4-3.9 3.6=61, 6157/6153=17...(78) HD3 LYS 12 + HB2 LYS 12 OK 50 100 50 99 2.1-3.7 3.6=61, 386/3.0=16...(78) HD2 LYS 12 + HB2 LYS 12 OK 45 100 45 99 2.2-4.2 3.6=61, ~463=13, ~464=13...(78) HD3 LYS 20 + HB2 LYS 20 OK 34 50 70 95 2.1-3.9 3.5=63, ~848=14, ~883=14...(51) * HD2 LYS 12 + HB3 LYS 12 OK 25 100 25 99 3.1-4.1 3.6=61, ~463=13, ~464=13...(78) HB3 LEU 70 - HB3 LYS 39 far 8 85 10 - 3.0-5.9 HD2 LYS 20 - HB2 LYS 20 far 8 54 15 - 2.4-4.0 HD3 LYS 24 - HB2 LYS 20 far 3 68 5 - 3.2-9.6 HD2 LYS 24 - HB2 LYS 20 far 0 67 0 - 3.7-8.3 HB ILE 15 - HB2 LYS 12 far 0 79 0 - 4.0-4.8 HB3 LYS 40 - HB3 LYS 39 far 0 83 0 - 4.5-6.9 HG LEU 70 - HB3 LYS 39 far 0 91 0 - 4.8-7.6 HD2 LYS 13 - HB3 LYS 12 far 0 100 0 - 4.9-7.3 HD2 LYS 13 - HB2 LYS 12 far 0 100 0 - 4.9-7.5 HD3 LYS 13 - HB3 LYS 12 far 0 100 0 - 5.0-7.4 HB ILE 15 - HB3 LYS 12 far 0 79 0 - 5.0-5.5 HD3 LYS 13 - HB2 LYS 12 far 0 100 0 - 5.1-7.6 HD2 LYS 73 - HB3 LYS 39 far 0 59 0 - 6.1-11.3 HG12 ILE 15 - HB2 LYS 12 far 0 100 0 - 6.4-7.5 HG12 ILE 15 - HB3 LYS 12 far 0 100 0 - 6.6-7.9 HD2 LYS 20 - HB2 LYS 12 far 0 88 0 - 7.7-9.3 HD3 LYS 73 - HB3 LYS 39 far 0 56 0 - 7.7-11.6 HD3 LYS 90 - HB2 LYS 20 far 0 68 0 - 7.8-9.0 HD3 LYS 20 - HB2 LYS 12 far 0 84 0 - 8.1-10.2 HG LEU 70 - HB3 LYS 68 far 0 91 0 - 8.1-8.9 HG LEU 70 - HB2 LYS 68 far 0 53 0 - 8.1-8.8 HD3 LYS 66 - HB3 LYS 39 far 0 91 0 - 8.3-11.9 HG3 LYS 20 - HB2 LYS 12 far 0 84 0 - 8.4-11.9 HD3 LYS 66 - HB3 LYS 68 far 0 91 0 - 8.4-8.9 HB3 LEU 70 - HB2 LYS 68 far 0 47 0 - 8.7-9.0 HB3 LEU 70 - HB3 LYS 68 far 0 84 0 - 8.7-9.1 HD2 LYS 90 - HB2 LYS 20 far 0 33 0 - 8.7-10.0 HD3 LYS 66 - HB2 LYS 68 far 0 53 0 - 8.8-9.2 HD2 ARG 81 - HB3 LYS 68 far 0 72 0 - 9.1-11.1 HD2 LYS 20 - HB3 LYS 12 far 0 88 0 - 9.2-10.8 HB ILE 15 - HB2 LYS 20 far 0 47 0 - 9.2-11.1 HD2 LYS 13 - HB2 LYS 20 far 0 68 0 - 9.3-14.4 HD3 LYS 13 - HB2 LYS 20 far 0 68 0 - 9.5-13.6 HD3 LYS 33 - HB3 LYS 12 far 0 87 0 - 9.5-11.4 HD3 LYS 33 - HB2 LYS 12 far 0 87 0 - 9.6-11.8 HD3 LYS 20 - HB3 LYS 12 far 0 84 0 - 9.7-11.8 HG2 PRO 86 - HB3 LYS 12 far 0 99 0 - 9.8-11.8 HD2 LYS 73 - HB2 LYS 68 far 0 31 0 - 9.9-11.8 HG2 PRO 86 - HB2 LYS 12 far 0 99 0 - 9.9-11.5 HG3 LYS 20 - HB3 LYS 12 far 0 84 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 411 from cnoeabs.peaks (1.70, 1.87, 32.38 ppm; 3.03 A): 6 out of 46 assignments used, quality = 0.97: HG3 LYS 20 + HB2 LYS 20 OK 50 50 100 100 2.3-3.0 3.0=100 * HD3 LYS 12 + HB3 LYS 12 OK 50 100 50 99 2.4-3.9 3.6=61, 6157/6153=17...(78) HD3 LYS 12 + HB2 LYS 12 OK 50 100 50 99 2.1-3.7 3.6=61, 386/3.0=16...(78) HD2 LYS 12 + HB2 LYS 12 OK 45 100 45 99 2.2-4.2 3.6=61, ~463=13, ~464=13...(78) HD3 LYS 20 + HB2 LYS 20 OK 34 50 70 95 2.1-3.9 3.5=63, ~848=14, ~883=14...(51) HD2 LYS 12 + HB3 LYS 12 OK 25 100 25 99 3.1-4.1 3.6=61, ~463=13, ~464=13...(78) HB3 LEU 70 - HB3 LYS 39 far 8 85 10 - 3.0-5.9 HD2 LYS 20 - HB2 LYS 20 far 8 54 15 - 2.4-4.0 HD3 LYS 24 - HB2 LYS 20 far 3 68 5 - 3.2-9.6 HD2 LYS 24 - HB2 LYS 20 far 0 67 0 - 3.7-8.3 HB ILE 15 - HB2 LYS 12 far 0 79 0 - 4.0-4.8 HB3 LYS 40 - HB3 LYS 39 far 0 83 0 - 4.5-6.9 HG LEU 70 - HB3 LYS 39 far 0 91 0 - 4.8-7.6 HD2 LYS 13 - HB3 LYS 12 far 0 100 0 - 4.9-7.3 HD2 LYS 13 - HB2 LYS 12 far 0 100 0 - 4.9-7.5 HD3 LYS 13 - HB3 LYS 12 far 0 100 0 - 5.0-7.4 HB ILE 15 - HB3 LYS 12 far 0 79 0 - 5.0-5.5 HD3 LYS 13 - HB2 LYS 12 far 0 100 0 - 5.1-7.6 HD2 LYS 73 - HB3 LYS 39 far 0 59 0 - 6.1-11.3 HG12 ILE 15 - HB2 LYS 12 far 0 100 0 - 6.4-7.5 HG12 ILE 15 - HB3 LYS 12 far 0 100 0 - 6.6-7.9 HD2 LYS 20 - HB2 LYS 12 far 0 88 0 - 7.7-9.3 HD3 LYS 73 - HB3 LYS 39 far 0 56 0 - 7.7-11.6 HD3 LYS 90 - HB2 LYS 20 far 0 68 0 - 7.8-9.0 HD3 LYS 20 - HB2 LYS 12 far 0 84 0 - 8.1-10.2 HG LEU 70 - HB3 LYS 68 far 0 91 0 - 8.1-8.9 HG LEU 70 - HB2 LYS 68 far 0 53 0 - 8.1-8.8 HD3 LYS 66 - HB3 LYS 39 far 0 91 0 - 8.3-11.9 HG3 LYS 20 - HB2 LYS 12 far 0 84 0 - 8.4-11.9 HD3 LYS 66 - HB3 LYS 68 far 0 91 0 - 8.4-8.9 HB3 LEU 70 - HB2 LYS 68 far 0 47 0 - 8.7-9.0 HB3 LEU 70 - HB3 LYS 68 far 0 84 0 - 8.7-9.1 HD2 LYS 90 - HB2 LYS 20 far 0 33 0 - 8.7-10.0 HD3 LYS 66 - HB2 LYS 68 far 0 53 0 - 8.8-9.2 HD2 ARG 81 - HB3 LYS 68 far 0 72 0 - 9.1-11.1 HD2 LYS 20 - HB3 LYS 12 far 0 88 0 - 9.2-10.8 HB ILE 15 - HB2 LYS 20 far 0 47 0 - 9.2-11.1 HD2 LYS 13 - HB2 LYS 20 far 0 68 0 - 9.3-14.4 HD3 LYS 13 - HB2 LYS 20 far 0 68 0 - 9.5-13.6 HD3 LYS 33 - HB3 LYS 12 far 0 87 0 - 9.5-11.4 HD3 LYS 33 - HB2 LYS 12 far 0 87 0 - 9.6-11.8 HD3 LYS 20 - HB3 LYS 12 far 0 84 0 - 9.7-11.8 HG2 PRO 86 - HB3 LYS 12 far 0 99 0 - 9.8-11.8 HD2 LYS 73 - HB2 LYS 68 far 0 31 0 - 9.9-11.8 HG2 PRO 86 - HB2 LYS 12 far 0 99 0 - 9.9-11.5 HG3 LYS 20 - HB3 LYS 12 far 0 84 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 412 from cnoeabs.peaks (3.01, 1.87, 32.38 ppm; 4.81 A): 2 out of 11 assignments used, quality = 1.00: * HE2 LYS 12 + HB3 LYS 12 OK 100 100 100 100 2.0-5.0 4.8=100 HE2 LYS 12 + HB2 LYS 12 OK 100 100 100 100 3.6-5.0 4.8=100 HB3 ASP 11 - HB3 LYS 12 far 0 98 0 - 5.2-5.9 HB3 ASP 11 - HB2 LYS 12 far 0 97 0 - 6.1-6.6 HB2 SER 9 - HB3 LYS 12 far 0 96 0 - 7.9-9.8 HB2 SER 9 - HB2 LYS 12 far 0 95 0 - 8.0-10.0 HE2 LYS 33 - HB2 LYS 12 far 0 97 0 - 8.3-10.6 HE2 LYS 33 - HB3 LYS 12 far 0 98 0 - 8.5-11.1 HE3 LYS 33 - HB3 LYS 12 far 0 98 0 - 8.6-12.0 HE3 LYS 33 - HB2 LYS 12 far 0 97 0 - 8.8-11.8 HB2 PHE 45 - HB3 LYS 39 far 0 74 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 413 from cnoeabs.peaks (2.96, 1.87, 32.38 ppm; 4.92 A): 2 out of 21 assignments used, quality = 0.97: HE3 LYS 12 + HB2 LYS 12 OK 85 100 85 100 3.1-5.5 4.8=100 * HE3 LYS 12 + HB3 LYS 12 OK 80 100 80 100 2.1-5.5 4.8=100 HE2 LYS 24 - HB2 LYS 20 poor 17 68 25 - 3.7-9.3 HB3 ASP 11 - HB3 LYS 12 far 12 79 15 - 5.2-5.9 HE3 LYS 13 - HB3 LYS 12 far 5 100 5 - 4.1-7.9 HE2 LYS 13 - HB2 LYS 12 far 5 100 5 - 5.2-8.6 HE3 LYS 13 - HB2 LYS 12 far 5 100 5 - 4.0-8.2 HE3 LYS 24 - HB2 LYS 20 lone 0 68 40 1 3.9-10.0 HE2 LYS 13 - HB3 LYS 12 far 0 100 0 - 5.5-8.2 HE2 LYS 73 - HB3 LYS 39 far 0 85 0 - 5.8-12.9 HB3 ASP 11 - HB2 LYS 12 far 0 79 0 - 6.1-6.6 HE3 LYS 73 - HB3 LYS 39 far 0 80 0 - 6.2-13.3 HG2 MET 21 - HB2 LYS 20 far 0 52 0 - 6.2-7.7 HE3 LYS 90 - HB2 LYS 20 far 0 47 0 - 6.5-7.8 HB2 ASN 10 - HB3 LYS 12 far 0 63 0 - 7.9-9.0 HB2 SER 9 - HB3 LYS 12 far 0 84 0 - 7.9-9.8 HB2 SER 9 - HB2 LYS 12 far 0 84 0 - 8.0-10.0 HE3 LYS 73 - HB2 LYS 68 far 0 44 0 - 9.1-12.6 HB2 ASN 10 - HB2 LYS 12 far 0 63 0 - 9.2-10.1 HE2 LYS 73 - HB2 LYS 68 far 0 48 0 - 9.5-12.9 HB2 PHE 45 - HB3 LYS 39 far 0 82 0 - 9.9-10.4 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 11 assignments used, quality = 1.00: * H LYS 13 + HB3 LYS 12 OK 100 100 100 100 2.8-3.2 6166=100, 6163/6153=47...(9) H LYS 39 + HB3 LYS 39 OK 89 89 100 100 2.5-2.9 6605=94, 6604/1.8=71...(14) H LYS 13 + HB2 LYS 12 OK 53 100 55 96 3.4-3.7 6165/1.8=74, 4.2=49...(9) H ILE 15 - HB2 LYS 12 far 0 100 0 - 5.0-5.4 H ILE 15 - HB3 LYS 12 far 0 100 0 - 5.4-5.8 H GLU 17 - HB2 LYS 20 far 0 64 0 - 6.1-7.1 H GLU 17 - HB2 LYS 12 far 0 98 0 - 6.4-7.1 H GLU 17 - HB3 LYS 12 far 0 98 0 - 7.4-8.1 H GLU 75 - HB2 LYS 68 far 0 53 0 - 9.4-10.0 H LYS 90 - HB2 LYS 20 far 0 47 0 - 9.5-10.5 H ILE 15 - HB2 LYS 20 far 0 68 0 - 9.7-11.2 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 2.5-3.9 6154=96, 6155/1.8=82...(18) H LYS 12 - HG2 LYS 13 far 0 92 0 - 5.3-6.1 H ASN 51 - HG2 LYS 53 far 0 64 0 - 6.1-6.9 H ASN 51 - HG3 LYS 53 far 0 54 0 - 6.4-7.1 H GLN 50 - HG2 LYS 53 far 0 81 0 - 7.5-8.9 H GLN 50 - HG3 LYS 53 far 0 70 0 - 8.2-9.6 Violated in 0 structures by 0.00 A. Peak 416 from cnoeabs.peaks (3.85, 1.45, 25.00 ppm; 3.89 A): 1 out of 16 assignments used, quality = 1.00: * HA LYS 12 + HG2 LYS 12 OK 100 100 100 100 2.3-2.6 3.7=100 HA3 GLY 101 - HG3 LYS 53 poor 8 39 20 - 3.5-7.1 HA2 GLY 101 - HG3 LYS 53 far 4 72 5 - 4.2-8.6 HA3 GLY 101 - HG2 LYS 53 far 0 47 0 - 4.4-8.6 HA2 GLY 101 - HG2 LYS 53 far 0 83 0 - 4.5-10.0 HA2 GLY 100 - HG3 LYS 53 far 0 72 0 - 4.9-7.2 HA2 GLY 100 - HG2 LYS 53 far 0 83 0 - 5.9-8.7 HA LYS 12 - HG2 LYS 13 far 0 92 0 - 6.1-7.2 HA SER 97 - HG3 LYS 53 far 0 39 0 - 7.2-8.5 HA ALA 22 - HG2 LYS 20 far 0 70 0 - 7.2-9.6 HB2 SER 102 - HG2 LYS 53 far 0 45 0 - 8.1-10.8 HB2 SER 102 - HG3 LYS 53 far 0 38 0 - 8.2-10.5 HA SER 97 - HG2 LYS 53 far 0 47 0 - 8.9-9.7 HB3 SER 49 - HG2 LYS 53 far 0 87 0 - 8.9-9.5 HA LYS 12 - HG2 LYS 20 far 0 93 0 - 9.9-11.1 HB3 SER 49 - HG3 LYS 53 far 0 76 0 - 10.0-10.9 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 19 assignments used, quality = 1.00: * HB2 LYS 12 + HG2 LYS 12 OK 100 100 100 100 2.4-3.0 3.0=95, 3.0/384=40...(46) HB3 LYS 12 + HG2 LYS 12 OK 100 100 100 100 2.6-3.0 3.0=95, 3.0/384=40...(44) HB2 LYS 20 + HG2 LYS 20 OK 74 74 100 100 2.2-3.0 3.0=95, 3.0/848=37...(54) HB2 LYS 53 + HG2 LYS 53 OK 71 71 100 100 2.5-2.7 3.0=93, ~2451=21...(39) HB2 LYS 53 + HG3 LYS 53 OK 60 61 100 99 2.9-3.0 3.0=93, ~2451=21...(39) HB3 LYS 12 - HG2 LYS 13 far 0 92 0 - 4.5-6.0 HB2 ARG 19 - HG2 LYS 20 far 0 70 0 - 4.7-5.9 HB2 LYS 12 - HG2 LYS 13 far 0 92 0 - 4.8-6.5 HB3 LYS 90 - HG2 LYS 20 far 0 66 0 - 6.6-10.3 HB3 LEU 14 - HG2 LYS 13 far 0 51 0 - 6.7-7.4 HB VAL 54 - HG2 LYS 53 far 0 74 0 - 6.9-7.5 HB3 LEU 14 - HG2 LYS 12 far 0 61 0 - 7.4-8.0 HB VAL 54 - HG3 LYS 53 far 0 63 0 - 7.7-8.2 HB3 GLU 104 - HG2 LYS 53 far 0 86 0 - 7.7-16.5 HB3 GLU 104 - HG3 LYS 53 far 0 75 0 - 8.5-15.9 HB2 ARG 19 - HG2 LYS 12 far 0 81 0 - 9.0-11.3 HB2 LYS 12 - HG2 LYS 20 far 0 93 0 - 9.4-10.5 HG2 ARG 46 - HG2 LYS 53 far 0 45 0 - 9.6-12.9 HB3 LEU 14 - HG2 LYS 20 far 0 52 0 - 9.9-12.8 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 18 assignments used, quality = 1.00: * HB3 LYS 12 + HG2 LYS 12 OK 100 100 100 100 2.6-3.0 3.0=95, 3.0/384=40...(44) HB2 LYS 12 + HG2 LYS 12 OK 99 100 100 100 2.4-3.0 3.0=95, 3.0/384=40...(46) HB2 LYS 20 + HG2 LYS 20 OK 77 77 100 100 2.2-3.0 3.0=95, 3.0/848=37...(54) HB2 LYS 53 + HG2 LYS 53 OK 68 68 100 100 2.5-2.7 3.0=93, ~2451=21...(39) HB2 LYS 53 + HG3 LYS 53 OK 58 58 100 99 2.9-3.0 3.0=93, ~2451=21...(39) HB3 LYS 12 - HG2 LYS 13 far 0 92 0 - 4.5-6.0 HB2 ARG 19 - HG2 LYS 20 far 0 73 0 - 4.7-5.9 HB2 LYS 12 - HG2 LYS 13 far 0 92 0 - 4.8-6.5 HB3 LYS 90 - HG2 LYS 20 far 0 63 0 - 6.6-10.3 HB3 LEU 14 - HG2 LYS 13 far 0 55 0 - 6.7-7.4 HB VAL 54 - HG2 LYS 53 far 0 76 0 - 6.9-7.5 HB3 LEU 14 - HG2 LYS 12 far 0 65 0 - 7.4-8.0 HB VAL 54 - HG3 LYS 53 far 0 65 0 - 7.7-8.2 HB3 GLU 104 - HG2 LYS 53 far 0 86 0 - 7.7-16.5 HB3 GLU 104 - HG3 LYS 53 far 0 75 0 - 8.5-15.9 HB2 ARG 19 - HG2 LYS 12 far 0 84 0 - 9.0-11.3 HB2 LYS 12 - HG2 LYS 20 far 0 93 0 - 9.4-10.5 HB3 LEU 14 - HG2 LYS 20 far 0 56 0 - 9.9-12.8 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 14 assignments used, quality = 1.00: * HG3 LYS 12 + HG2 LYS 12 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 90 - HG2 LYS 20 far 0 90 0 - 4.9-8.6 HG2 ARG 19 - HG2 LYS 20 far 0 90 0 - 5.8-7.8 HG2 LYS 24 - HG2 LYS 20 far 0 91 0 - 6.4-10.3 HB2 ARG 79 - HG2 LYS 53 far 0 86 0 - 6.5-7.6 HG LEU 103 - HG2 LYS 53 far 0 83 0 - 6.7-13.9 HG3 LYS 12 - HG2 LYS 13 far 0 92 0 - 6.7-8.3 HG2 ARG 19 - HG2 LYS 12 far 0 99 0 - 6.7-10.8 HB2 ARG 79 - HG3 LYS 53 far 0 75 0 - 6.9-8.4 HB2 LEU 103 - HG2 LYS 53 far 0 84 0 - 7.0-14.3 HB2 LEU 103 - HG3 LYS 53 far 0 73 0 - 7.4-13.5 HG LEU 103 - HG3 LYS 53 far 0 72 0 - 7.7-13.9 HB3 LEU 29 - HG2 LYS 20 far 0 93 0 - 8.2-10.0 HG LEU 27 - HG3 LYS 53 far 0 75 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 421 from cnoeabs.peaks (1.70, 1.45, 25.00 ppm; 2.61 A): 8 out of 42 assignments used, quality = 1.00: HG3 LYS 20 + HG2 LYS 20 OK 73 73 100 100 1.8-1.8 1.8=100 HB3 LYS 53 + HG3 LYS 53 OK 67 69 100 97 2.2-2.4 3.0=68, 2451/3.0=30...(28) HD3 LYS 20 + HG2 LYS 20 OK 61 73 90 94 2.4-2.9 2.8=77, 5.3/848=12...(50) HD3 LYS 13 + HG2 LYS 13 OK 57 92 65 96 2.3-3.0 3.0=69, 555/1.8=11...(60) HD2 LYS 20 + HG2 LYS 20 OK 55 77 75 96 2.2-3.0 2.8=77, 1.8/1729=13...(65) HD3 LYS 12 + HG2 LYS 12 OK 54 100 55 97 2.3-3.0 3.0=67, 3.0/463=27...(50) * HD2 LYS 12 + HG2 LYS 12 OK 53 100 55 97 2.3-3.0 3.0=67, 3.0/463=27...(50) HD2 LYS 13 + HG2 LYS 13 OK 40 92 45 96 2.3-3.0 3.0=69, 2.9/474=10...(56) HB3 LYS 53 - HG2 LYS 53 far 0 80 0 - 2.9-3.0 HB ILE 15 - HG2 LYS 12 far 0 79 0 - 3.7-4.6 HB2 LEU 2 - HG3 LYS 53 far 0 76 0 - 4.9-5.7 HD3 LYS 24 - HG2 LYS 20 far 0 92 0 - 5.3-10.4 HG12 ILE 15 - HG2 LYS 12 far 0 100 0 - 5.7-6.4 HB2 LEU 2 - HG2 LYS 53 far 0 87 0 - 5.7-6.5 HB ILE 52 - HG2 LYS 53 far 0 61 0 - 5.7-6.2 HB ILE 52 - HG3 LYS 53 far 0 51 0 - 5.7-6.4 HD2 LYS 24 - HG2 LYS 20 far 0 92 0 - 5.9-9.0 HG2 PRO 86 - HG2 LYS 13 far 0 90 0 - 5.9-8.2 HD3 LYS 90 - HG2 LYS 20 far 0 92 0 - 6.0-10.5 HD3 LYS 12 - HG2 LYS 13 far 0 92 0 - 6.9-8.9 HB ILE 15 - HG2 LYS 13 far 0 67 0 - 7.0-8.5 HD3 LYS 33 - HG2 LYS 12 far 0 87 0 - 7.2-8.9 HD2 LYS 13 - HG2 LYS 12 far 0 100 0 - 7.3-9.6 HD2 LYS 12 - HG2 LYS 13 far 0 92 0 - 7.4-9.5 HD2 LYS 90 - HG2 LYS 20 far 0 50 0 - 7.4-11.2 HD3 LYS 13 - HG2 LYS 12 far 0 100 0 - 7.5-9.9 HD2 LYS 33 - HG2 LYS 12 far 0 87 0 - 7.7-9.9 HD2 LYS 20 - HG2 LYS 13 far 0 76 0 - 7.9-10.6 HD3 LYS 13 - HG2 LYS 20 far 0 93 0 - 8.1-13.0 HB ILE 15 - HG2 LYS 20 far 0 68 0 - 8.2-9.8 HD3 LYS 20 - HG2 LYS 13 far 0 72 0 - 8.5-12.2 HD2 LYS 13 - HG2 LYS 20 far 0 93 0 - 8.7-13.4 HG12 ILE 15 - HG2 LYS 13 far 0 91 0 - 8.9-10.6 HD2 LYS 20 - HG2 LYS 12 far 0 88 0 - 8.9-11.4 HD3 LYS 20 - HG2 LYS 12 far 0 84 0 - 9.0-13.0 HG2 PRO 86 - HG2 LYS 20 far 0 91 0 - 9.3-12.5 HD2 LYS 12 - HG2 LYS 20 far 0 93 0 - 9.4-13.7 HG3 LYS 20 - HG2 LYS 12 far 0 84 0 - 9.5-13.8 HD3 LYS 90 - HG2 LYS 13 far 0 91 0 - 9.5-12.5 HG3 LYS 20 - HG2 LYS 13 far 0 72 0 - 9.7-12.3 HD3 LYS 12 - HG2 LYS 20 far 0 93 0 - 9.7-14.1 HG12 ILE 15 - HG2 LYS 20 far 0 91 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 422 from cnoeabs.peaks (1.70, 1.45, 25.00 ppm; 2.61 A): 8 out of 42 assignments used, quality = 1.00: HG3 LYS 20 + HG2 LYS 20 OK 73 73 100 100 1.8-1.8 1.8=100 HB3 LYS 53 + HG3 LYS 53 OK 67 69 100 97 2.2-2.4 3.0=68, 2451/3.0=30...(28) HD3 LYS 20 + HG2 LYS 20 OK 61 73 90 94 2.4-2.9 2.8=77, 5.3/848=12...(50) HD3 LYS 13 + HG2 LYS 13 OK 57 92 65 96 2.3-3.0 3.0=69, 555/1.8=11...(60) HD2 LYS 20 + HG2 LYS 20 OK 55 77 75 96 2.2-3.0 2.8=77, 1.8/1729=13...(65) * HD3 LYS 12 + HG2 LYS 12 OK 54 100 55 97 2.3-3.0 3.0=67, 3.0/463=27...(50) HD2 LYS 12 + HG2 LYS 12 OK 53 100 55 97 2.3-3.0 3.0=67, 3.0/463=27...(50) HD2 LYS 13 + HG2 LYS 13 OK 40 92 45 96 2.3-3.0 3.0=69, 2.9/474=10...(56) HB3 LYS 53 - HG2 LYS 53 far 0 80 0 - 2.9-3.0 HB ILE 15 - HG2 LYS 12 far 0 79 0 - 3.7-4.6 HB2 LEU 2 - HG3 LYS 53 far 0 76 0 - 4.9-5.7 HD3 LYS 24 - HG2 LYS 20 far 0 92 0 - 5.3-10.4 HG12 ILE 15 - HG2 LYS 12 far 0 100 0 - 5.7-6.4 HB2 LEU 2 - HG2 LYS 53 far 0 87 0 - 5.7-6.5 HB ILE 52 - HG2 LYS 53 far 0 61 0 - 5.7-6.2 HB ILE 52 - HG3 LYS 53 far 0 51 0 - 5.7-6.4 HD2 LYS 24 - HG2 LYS 20 far 0 92 0 - 5.9-9.0 HG2 PRO 86 - HG2 LYS 13 far 0 90 0 - 5.9-8.2 HD3 LYS 90 - HG2 LYS 20 far 0 92 0 - 6.0-10.5 HD3 LYS 12 - HG2 LYS 13 far 0 92 0 - 6.9-8.9 HB ILE 15 - HG2 LYS 13 far 0 67 0 - 7.0-8.5 HD3 LYS 33 - HG2 LYS 12 far 0 87 0 - 7.2-8.9 HD2 LYS 13 - HG2 LYS 12 far 0 100 0 - 7.3-9.6 HD2 LYS 12 - HG2 LYS 13 far 0 92 0 - 7.4-9.5 HD2 LYS 90 - HG2 LYS 20 far 0 50 0 - 7.4-11.2 HD3 LYS 13 - HG2 LYS 12 far 0 100 0 - 7.5-9.9 HD2 LYS 33 - HG2 LYS 12 far 0 87 0 - 7.7-9.9 HD2 LYS 20 - HG2 LYS 13 far 0 76 0 - 7.9-10.6 HD3 LYS 13 - HG2 LYS 20 far 0 93 0 - 8.1-13.0 HB ILE 15 - HG2 LYS 20 far 0 68 0 - 8.2-9.8 HD3 LYS 20 - HG2 LYS 13 far 0 72 0 - 8.5-12.2 HD2 LYS 13 - HG2 LYS 20 far 0 93 0 - 8.7-13.4 HG12 ILE 15 - HG2 LYS 13 far 0 91 0 - 8.9-10.6 HD2 LYS 20 - HG2 LYS 12 far 0 88 0 - 8.9-11.4 HD3 LYS 20 - HG2 LYS 12 far 0 84 0 - 9.0-13.0 HG2 PRO 86 - HG2 LYS 20 far 0 91 0 - 9.3-12.5 HD2 LYS 12 - HG2 LYS 20 far 0 93 0 - 9.4-13.7 HG3 LYS 20 - HG2 LYS 12 far 0 84 0 - 9.5-13.8 HD3 LYS 90 - HG2 LYS 13 far 0 91 0 - 9.5-12.5 HG3 LYS 20 - HG2 LYS 13 far 0 72 0 - 9.7-12.3 HD3 LYS 12 - HG2 LYS 20 far 0 93 0 - 9.7-14.1 HG12 ILE 15 - HG2 LYS 20 far 0 91 0 - 9.8-11.9 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 10 assignments used, quality = 0.99: * HE2 LYS 12 + HG2 LYS 12 OK 99 100 100 99 2.2-3.7 4.0=99 HB3 ASP 11 - HG2 LYS 13 far 4 87 5 - 4.0-5.9 HE2 LYS 33 - HG2 LYS 12 far 0 98 0 - 5.8-8.6 HB3 ASP 11 - HG2 LYS 12 far 0 98 0 - 6.0-7.2 HE3 LYS 33 - HG2 LYS 12 far 0 98 0 - 6.0-9.5 HE2 LYS 12 - HG2 LYS 13 far 0 92 0 - 6.8-10.5 HB2 SER 9 - HG2 LYS 12 far 0 96 0 - 7.1-9.5 HB2 PHE 45 - HG2 LYS 53 far 0 70 0 - 8.8-9.9 HB2 SER 9 - HG2 LYS 13 far 0 84 0 - 9.1-11.4 HB2 PHE 45 - HG3 LYS 53 far 0 59 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 424 from cnoeabs.peaks (2.96, 1.45, 25.00 ppm; 4.37 A): 3 out of 26 assignments used, quality = 1.00: * HE3 LYS 12 + HG2 LYS 12 OK 100 100 100 100 2.3-4.2 4.0=100 HE2 LYS 13 + HG2 LYS 13 OK 91 91 100 100 2.2-4.1 3.8=100 HE3 LYS 13 + HG2 LYS 13 OK 91 91 100 100 2.2-3.8 3.8=100 HB3 ASP 11 - HG2 LYS 13 poor 13 67 20 - 4.0-5.9 HB2 ASN 51 - HG3 LYS 53 far 0 65 0 - 5.0-6.1 HG2 MET 21 - HG2 LYS 20 far 0 74 0 - 5.3-8.7 HE3 LYS 24 - HG2 LYS 20 far 0 92 0 - 5.3-10.7 HE3 LYS 90 - HG2 LYS 20 far 0 68 0 - 5.5-9.1 HB2 ASN 51 - HG2 LYS 53 far 0 76 0 - 5.6-6.4 HE2 LYS 24 - HG2 LYS 20 far 0 92 0 - 5.8-10.7 HB3 ASP 11 - HG2 LYS 12 far 0 79 0 - 6.0-7.2 HE3 LYS 13 - HG2 LYS 12 far 0 100 0 - 6.4-10.4 HE3 LYS 12 - HG2 LYS 13 far 0 92 0 - 6.8-11.0 HB2 ASN 10 - HG2 LYS 12 far 0 63 0 - 7.1-9.4 HB2 SER 9 - HG2 LYS 12 far 0 84 0 - 7.1-9.5 HE2 LYS 13 - HG2 LYS 12 far 0 100 0 - 7.5-10.8 HB3 PHE 45 - HG2 LYS 53 far 0 87 0 - 7.5-8.3 HB3 PHE 45 - HG3 LYS 53 far 0 76 0 - 8.1-9.1 HB2 PHE 45 - HG2 LYS 53 far 0 77 0 - 8.8-9.9 HE2 LYS 13 - HG2 LYS 20 far 0 92 0 - 9.0-14.4 HB2 SER 9 - HG2 LYS 13 far 0 72 0 - 9.1-11.4 HB2 PHE 45 - HG3 LYS 53 far 0 66 0 - 9.6-10.7 HE3 LYS 90 - HG2 LYS 13 far 0 67 0 - 9.6-12.1 HE3 LYS 13 - HG2 LYS 20 far 0 91 0 - 9.7-14.3 HE3 LYS 12 - HG2 LYS 20 far 0 93 0 - 9.8-15.0 HB2 ASN 10 - HG2 LYS 13 far 0 53 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 425 from cnoeabs.peaks (8.07, 1.45, 25.00 ppm; 4.04 A): 1 out of 11 assignments used, quality = 0.92: H LYS 13 + HG2 LYS 13 OK 92 92 100 100 3.0-3.8 6167=100, 6177/1.8=84...(21) H GLU 17 - HG2 LYS 20 far 4 89 5 - 4.2-7.0 ! H LYS 13 - HG2 LYS 12 far 0 100 0 - 4.6-5.3 H ILE 15 - HG2 LYS 12 far 0 100 0 - 5.5-5.8 H SER 102 - HG2 LYS 53 far 0 79 0 - 5.5-10.2 H SER 102 - HG3 LYS 53 far 0 68 0 - 5.8-8.6 H ILE 15 - HG2 LYS 13 far 0 92 0 - 6.2-7.0 H GLU 17 - HG2 LYS 13 far 0 88 0 - 6.2-7.7 H LYS 90 - HG2 LYS 20 far 0 68 0 - 7.6-11.5 H GLU 17 - HG2 LYS 12 far 0 98 0 - 7.7-9.0 H ILE 15 - HG2 LYS 20 far 0 93 0 - 8.1-10.5 Violated in 0 structures by 0.00 A. Peak 426 from cnoeabs.peaks (8.56, 1.59, 25.00 ppm; 4.14 A increased from 3.90 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 12 + HG3 LYS 12 OK 100 100 100 100 3.5-3.9 6155=100, 6153/3.0=79...(19) H GLN 50 - HG3 LYS 47 far 0 58 0 - 8.1-9.2 H ASN 51 - HG3 LYS 47 far 0 44 0 - 9.9-10.8 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 12 assignments used, quality = 1.00: * HA LYS 12 + HG3 LYS 12 OK 100 100 100 100 3.6-3.7 3.7=100 HA ALA 71 - HG3 LYS 73 far 0 99 0 - 4.6-7.2 HA GLU 43 - HG3 LYS 47 far 0 44 0 - 5.1-6.3 HA ARG 91 - HG3 LYS 90 far 0 45 0 - 6.5-6.6 HB3 SER 49 - HG3 LYS 47 far 0 63 0 - 6.7-8.0 HA ALA 22 - HG2 LYS 24 far 0 77 0 - 6.8-8.0 HA LYS 94 - HG2 LYS 24 far 0 96 0 - 7.6-9.4 HA ALA 22 - HG3 LYS 90 far 0 52 0 - 7.9-8.4 HA LYS 94 - HG3 LYS 90 far 0 70 0 - 8.1-8.9 HA ALA 67 - HG3 LYS 73 far 0 100 0 - 8.3-9.9 HA GLU 43 - HG3 LYS 73 far 0 80 0 - 9.0-13.2 HA LYS 40 - HG3 LYS 47 far 0 60 0 - 9.2-10.5 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 17 assignments used, quality = 1.00: * HB2 LYS 12 + HG3 LYS 12 OK 100 100 100 100 2.4-2.7 3.0=100 HB3 LYS 12 + HG3 LYS 12 OK 100 100 100 100 2.2-2.5 3.0=100 HB3 LYS 90 + HG3 LYS 90 OK 50 50 100 100 2.2-2.2 2.8=100 HB2 LYS 20 - HG2 LYS 24 far 0 82 0 - 4.4-8.9 HG2 ARG 46 - HG3 LYS 47 far 0 30 0 - 4.5-8.1 HB2 LYS 20 - HG3 LYS 90 far 0 56 0 - 6.2-7.4 HB3 LYS 39 - HG3 LYS 73 far 0 100 0 - 6.5-11.6 HB3 LYS 90 - HG2 LYS 24 far 0 74 0 - 7.6-9.9 HB2 LYS 68 - HG3 LYS 73 far 0 83 0 - 8.2-9.6 HG LEU 42 - HG3 LYS 73 far 0 73 0 - 8.6-11.7 HG2 ARG 46 - HG3 LYS 73 far 0 59 0 - 8.6-13.5 HB3 LEU 14 - HG3 LYS 12 far 0 61 0 - 8.6-9.0 HB2 ARG 19 - HG2 LYS 24 far 0 77 0 - 8.8-11.8 HB2 ARG 19 - HG3 LYS 90 far 0 52 0 - 9.2-9.8 HB3 LYS 68 - HG3 LYS 73 far 0 99 0 - 9.4-10.5 HB3 LEU 14 - HG3 LYS 90 far 0 38 0 - 9.6-10.3 HG LEU 42 - HG3 LYS 47 far 0 39 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 429 from cnoeabs.peaks (1.87, 1.59, 25.00 ppm; 3.25 A): 3 out of 16 assignments used, quality = 1.00: * HB3 LYS 12 + HG3 LYS 12 OK 100 100 100 100 2.2-2.5 3.0=100 HB2 LYS 12 + HG3 LYS 12 OK 100 100 100 100 2.4-2.7 3.0=100 HB3 LYS 90 + HG3 LYS 90 OK 47 47 100 100 2.2-2.2 2.8=100 HB2 LYS 20 - HG2 LYS 24 far 0 85 0 - 4.4-8.9 HB2 GLU 43 - HG3 LYS 47 far 0 29 0 - 5.2-6.2 HB2 LYS 20 - HG3 LYS 90 far 0 59 0 - 6.2-7.4 HB3 LYS 39 - HG3 LYS 73 far 0 100 0 - 6.5-11.6 HB3 LYS 90 - HG2 LYS 24 far 0 70 0 - 7.6-9.9 HB2 LYS 68 - HG3 LYS 73 far 0 80 0 - 8.2-9.6 HG LEU 42 - HG3 LYS 73 far 0 76 0 - 8.6-11.7 HB3 LEU 14 - HG3 LYS 12 far 0 65 0 - 8.6-9.0 HB2 ARG 19 - HG2 LYS 24 far 0 80 0 - 8.8-11.8 HB2 ARG 19 - HG3 LYS 90 far 0 55 0 - 9.2-9.8 HB3 LYS 68 - HG3 LYS 73 far 0 100 0 - 9.4-10.5 HB3 LEU 14 - HG3 LYS 90 far 0 41 0 - 9.6-10.3 HG LEU 42 - HG3 LYS 47 far 0 41 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 430 from cnoeabs.peaks (1.45, 1.59, 25.00 ppm; 2.55 A): 1 out of 16 assignments used, quality = 1.00: * HG2 LYS 12 + HG3 LYS 12 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 20 - HG3 LYS 90 far 0 69 0 - 4.9-8.6 HG3 LYS 39 - HG3 LYS 73 far 0 100 0 - 5.2-11.2 QB ALA 71 - HG3 LYS 73 far 0 67 0 - 5.6-7.0 HG2 LYS 20 - HG2 LYS 24 far 0 96 0 - 6.4-10.3 QB ALA 22 - HG2 LYS 24 far 0 97 0 - 6.5-7.9 HG2 LYS 13 - HG3 LYS 12 far 0 96 0 - 6.7-8.3 QB ALA 22 - HG3 LYS 90 far 0 71 0 - 7.0-7.5 HG13 ILE 76 - HG3 LYS 73 far 0 99 0 - 7.1-10.2 HG13 ILE 76 - HG3 LYS 47 far 0 61 0 - 8.1-9.8 HG3 ARG 91 - HG3 LYS 90 far 0 72 0 - 8.8-9.4 HG13 ILE 52 - HG3 LYS 47 far 0 59 0 - 8.9-10.6 HB2 LEU 38 - HG3 LYS 73 far 0 98 0 - 8.9-13.0 HG12 ILE 7 - HG3 LYS 90 far 0 61 0 - 9.4-10.0 HB2 LEU 27 - HG2 LYS 24 far 0 96 0 - 9.4-10.7 HG LEU 38 - HG3 LYS 73 far 0 96 0 - 9.7-12.1 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; 2.65 A increased from 2.49 A): 9 out of 35 assignments used, quality = 1.00: HD3 LYS 90 + HG3 LYS 90 OK 71 73 100 97 2.5-2.8 2.9=73, 3981/2.8=32...(25) * HD2 LYS 12 + HG3 LYS 12 OK 58 100 60 97 2.3-3.0 3.0=70, 3.0/464=28...(40) HD2 LYS 73 + HG3 LYS 73 OK 58 71 85 96 2.2-3.0 3.0=72, 1.8/3298=24...(77) HD3 LYS 24 + HG2 LYS 24 OK 57 98 60 97 2.3-3.0 3.0=72, 1.8/1121=10...(61) HD2 LYS 47 + HG3 LYS 47 OK 51 52 100 98 2.4-2.7 3.0=71, 1.8/3984=8...(104) HD3 LYS 73 + HG3 LYS 73 OK 48 67 75 96 2.3-3.0 3.0=72, 1.8/3298=23...(77) HD3 LYS 12 + HG3 LYS 12 OK 44 100 45 97 2.5-3.0 3.0=70, 3.0/464=28...(41) HD2 LYS 24 + HG2 LYS 24 OK 42 98 45 96 2.3-3.0 3.0=72, 1.8/1121=13...(59) HD2 LYS 90 + HG3 LYS 90 OK 28 37 80 96 2.9-3.0 2.9=73, 1.8/3984=19...(26) HD3 LYS 47 - HG3 LYS 47 poor 16 53 30 - 2.4-3.0 HB3 LEU 70 - HG3 LYS 73 far 0 96 0 - 4.3-7.0 HG3 LYS 20 - HG3 LYS 90 far 0 55 0 - 4.6-7.9 HD3 LYS 20 - HG3 LYS 90 far 0 55 0 - 5.0-8.2 HB ILE 15 - HG3 LYS 12 far 0 79 0 - 5.3-6.0 HG LEU 70 - HG3 LYS 73 far 0 100 0 - 5.4-6.8 HG3 LYS 20 - HG2 LYS 24 far 0 80 0 - 5.6-10.8 HD2 LYS 20 - HG3 LYS 90 far 0 59 0 - 5.8-8.1 HD3 LYS 24 - HG3 LYS 90 far 0 73 0 - 6.2-9.4 HD2 LYS 24 - HG3 LYS 90 far 0 73 0 - 6.7-10.1 HG2 PRO 86 - HG3 LYS 90 far 0 72 0 - 6.8-8.0 HD2 LYS 13 - HG3 LYS 12 far 0 100 0 - 7.0-9.4 HD3 LYS 13 - HG3 LYS 12 far 0 100 0 - 7.0-9.7 HB3 ARG 91 - HG3 LYS 90 far 0 64 0 - 7.2-7.5 HD3 LYS 20 - HG2 LYS 24 far 0 80 0 - 7.2-12.3 HG12 ILE 15 - HG3 LYS 12 far 0 100 0 - 7.3-8.1 HD3 LYS 66 - HG3 LYS 73 far 0 100 0 - 7.9-9.7 HB ILE 52 - HG3 LYS 47 far 0 41 0 - 7.9-9.3 HD2 LYS 20 - HG2 LYS 24 far 0 85 0 - 8.1-11.6 HD3 LYS 33 - HG3 LYS 12 far 0 87 0 - 8.2-10.2 HD2 LYS 33 - HG3 LYS 12 far 0 87 0 - 8.9-10.8 HD2 LYS 13 - HG3 LYS 90 far 0 74 0 - 9.6-13.1 HD2 LYS 90 - HG2 LYS 24 far 0 56 0 - 9.7-12.6 HB2 LEU 2 - HG3 LYS 47 far 0 63 0 - 9.8-12.0 HD2 LYS 20 - HG3 LYS 12 far 0 88 0 - 9.8-11.8 HD3 LYS 13 - HG3 LYS 90 far 0 74 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 433 from cnoeabs.peaks (1.70, 1.59, 25.00 ppm; 2.65 A increased from 2.49 A): 9 out of 35 assignments used, quality = 1.00: HD3 LYS 90 + HG3 LYS 90 OK 71 73 100 97 2.5-2.8 2.9=73, 3981/2.8=32...(25) HD2 LYS 12 + HG3 LYS 12 OK 58 100 60 97 2.3-3.0 3.0=70, 3.0/464=28...(40) HD2 LYS 73 + HG3 LYS 73 OK 58 71 85 96 2.2-3.0 3.0=72, 1.8/3298=24...(77) HD3 LYS 24 + HG2 LYS 24 OK 57 98 60 97 2.3-3.0 3.0=72, 1.8/1121=10...(61) HD2 LYS 47 + HG3 LYS 47 OK 51 52 100 98 2.4-2.7 3.0=71, 1.8/3984=8...(104) HD3 LYS 73 + HG3 LYS 73 OK 48 67 75 96 2.3-3.0 3.0=72, 1.8/3298=23...(77) * HD3 LYS 12 + HG3 LYS 12 OK 44 100 45 97 2.5-3.0 3.0=70, 3.0/464=28...(41) HD2 LYS 24 + HG2 LYS 24 OK 42 98 45 96 2.3-3.0 3.0=72, 1.8/1121=13...(59) HD2 LYS 90 + HG3 LYS 90 OK 28 37 80 96 2.9-3.0 2.9=73, 1.8/3984=19...(26) HD3 LYS 47 - HG3 LYS 47 poor 16 53 30 - 2.4-3.0 HB3 LEU 70 - HG3 LYS 73 far 0 96 0 - 4.3-7.0 HG3 LYS 20 - HG3 LYS 90 far 0 55 0 - 4.6-7.9 HD3 LYS 20 - HG3 LYS 90 far 0 55 0 - 5.0-8.2 HB ILE 15 - HG3 LYS 12 far 0 79 0 - 5.3-6.0 HG LEU 70 - HG3 LYS 73 far 0 100 0 - 5.4-6.8 HG3 LYS 20 - HG2 LYS 24 far 0 80 0 - 5.6-10.8 HD2 LYS 20 - HG3 LYS 90 far 0 59 0 - 5.8-8.1 HD3 LYS 24 - HG3 LYS 90 far 0 73 0 - 6.2-9.4 HD2 LYS 24 - HG3 LYS 90 far 0 73 0 - 6.7-10.1 HG2 PRO 86 - HG3 LYS 90 far 0 72 0 - 6.8-8.0 HD2 LYS 13 - HG3 LYS 12 far 0 100 0 - 7.0-9.4 HD3 LYS 13 - HG3 LYS 12 far 0 100 0 - 7.0-9.7 HB3 ARG 91 - HG3 LYS 90 far 0 64 0 - 7.2-7.5 HD3 LYS 20 - HG2 LYS 24 far 0 80 0 - 7.2-12.3 HG12 ILE 15 - HG3 LYS 12 far 0 100 0 - 7.3-8.1 HD3 LYS 66 - HG3 LYS 73 far 0 100 0 - 7.9-9.7 HB ILE 52 - HG3 LYS 47 far 0 41 0 - 7.9-9.3 HD2 LYS 20 - HG2 LYS 24 far 0 85 0 - 8.1-11.6 HD3 LYS 33 - HG3 LYS 12 far 0 87 0 - 8.2-10.2 HD2 LYS 33 - HG3 LYS 12 far 0 87 0 - 8.9-10.8 HD2 LYS 13 - HG3 LYS 90 far 0 74 0 - 9.6-13.1 HD2 LYS 90 - HG2 LYS 24 far 0 56 0 - 9.7-12.6 HB2 LEU 2 - HG3 LYS 47 far 0 63 0 - 9.8-12.0 HD2 LYS 20 - HG3 LYS 12 far 0 88 0 - 9.8-11.8 HD3 LYS 13 - HG3 LYS 90 far 0 74 0 - 9.9-12.9 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 2.2-3.5 4.0=100 HE3 LYS 47 + HG3 LYS 47 OK 38 38 100 100 2.2-4.2 3.8=100 HE2 LYS 47 + HG3 LYS 47 OK 38 38 100 100 2.5-3.9 3.8=100 HB2 PHE 45 - HG3 LYS 47 far 0 48 0 - 6.0-8.1 HB3 ASP 11 - HG3 LYS 12 far 0 98 0 - 7.0-7.7 HE2 LYS 33 - HG3 LYS 12 far 0 98 0 - 7.1-9.7 HE3 LYS 33 - HG3 LYS 12 far 0 98 0 - 7.5-10.6 HB2 SER 9 - HG3 LYS 12 far 0 96 0 - 8.7-10.7 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: HE2 LYS 24 + HG2 LYS 24 OK 88 98 90 100 2.3-3.8 3.7=80, 12306/3.7=37...(110) HE2 LYS 73 + HG3 LYS 73 OK 82 96 85 100 2.1-4.2 4.0=64, 3.0/3298=26...(113) * HE3 LYS 12 + HG3 LYS 12 OK 80 100 80 100 2.2-3.9 4.0=66, 1.8/464=66...(41) HE3 LYS 24 + HG2 LYS 24 OK 74 98 75 100 2.1-3.9 3.7=80, 1.8/1143=18...(108) HE3 LYS 73 + HG3 LYS 73 OK 64 92 70 100 2.1-4.2 4.0=64, 3.0/3298=26...(114) HE2 LYS 47 + HG3 LYS 47 OK 57 61 95 100 2.5-3.9 3.8=77, 2155/3.0=19...(135) HE3 LYS 47 + HG3 LYS 47 OK 54 61 90 100 2.2-4.2 3.8=77, 2154/3.0=20...(135) HG2 MET 21 + HG3 LYS 90 OK 52 56 100 92 2.0-2.9 8557/1.8=31...(19) HE3 LYS 90 + HG3 LYS 90 OK 50 51 100 99 2.2-2.9 3.8=76, 4005/1.8=47...(22) HG2 MET 21 - HG2 LYS 24 far 0 82 0 - 5.8-8.5 HE3 LYS 13 - HG3 LYS 12 far 0 100 0 - 6.0-10.1 HB2 PHE 45 - HG3 LYS 47 far 0 54 0 - 6.0-8.1 HE3 LYS 24 - HG3 LYS 90 far 0 73 0 - 6.3-10.6 HB3 PHE 45 - HG3 LYS 47 far 0 63 0 - 6.4-8.6 HB3 ASP 11 - HG3 LYS 12 far 0 79 0 - 7.0-7.7 HE2 LYS 24 - HG3 LYS 90 far 0 73 0 - 7.0-10.9 HE2 LYS 13 - HG3 LYS 12 far 0 100 0 - 7.3-10.3 HB2 ASN 10 - HG3 LYS 12 far 0 63 0 - 8.4-9.8 HB2 SER 9 - HG3 LYS 12 far 0 84 0 - 8.7-10.7 HE3 LYS 90 - HG2 LYS 24 far 0 75 0 - 9.0-11.8 HE3 LYS 13 - HG3 LYS 90 far 0 72 0 - 9.3-14.3 Violated in 0 structures by 0.00 A. Peak 436 from cnoeabs.peaks (8.07, 1.59, 25.00 ppm; 4.21 A): 1 out of 8 assignments used, quality = 0.51: H LYS 90 + HG3 LYS 90 OK 51 51 100 100 3.5-3.8 7420=71, 7419/1.8=67...(20) H GLU 75 - HG3 LYS 73 poor 19 100 25 76 4.5-5.9 7231/7220=43...(5) ! H LYS 13 - HG3 LYS 12 far 0 100 0 - 5.0-5.4 H GLU 17 - HG3 LYS 90 far 0 69 0 - 5.8-6.5 H ILE 15 - HG3 LYS 12 far 0 100 0 - 6.7-7.0 H GLU 17 - HG3 LYS 12 far 0 98 0 - 8.7-9.5 H LYS 39 - HG3 LYS 73 far 0 99 0 - 8.7-12.1 H ILE 15 - HG3 LYS 90 far 0 74 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 437 from cnoeabs.peaks (8.56, 1.70, 29.09 ppm; 5.57 A): 2 out of 8 assignments used, quality = 1.00: H LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.0-5.0 6152/3.6=95, 6155/3.0=93...(21) * H LYS 12 + HD2 LYS 12 OK 100 100 100 100 2.1-5.3 6153/3.6=95, 6155/3.0=93...(21) H LYS 12 - HG12 ILE 15 far 3 68 5 - 5.4-6.9 H LYS 12 - HD2 LYS 13 far 0 96 0 - 6.0-7.7 H LYS 12 - HD3 LYS 13 far 0 96 0 - 6.1-7.7 H GLN 50 - HD2 LYS 47 far 0 66 0 - 7.7-10.5 H GLN 50 - HD3 LYS 47 far 0 68 0 - 9.1-11.0 H VAL 58 - HG12 ILE 15 far 0 57 0 - 9.8-11.0 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 25 assignments used, quality = 1.00: HA LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.3-3.8 384/3.0=75, 5.2=51...(41) * HA LYS 12 + HD2 LYS 12 OK 100 100 100 100 2.4-4.0 384/3.0=75, 5.2=51...(39) HA ARG 91 + HB3 ARG 91 OK 47 47 100 100 3.0-3.0 3.0=100 HA LYS 12 + HG12 ILE 15 OK 41 68 60 100 3.9-4.9 8381/2.1=91, 644/2.9=71...(9) HA GLU 43 - HD3 LYS 47 far 0 53 0 - 4.9-7.6 HA GLU 43 - HD2 LYS 47 far 0 51 0 - 5.6-7.9 HB3 SER 49 - HD2 LYS 47 far 0 72 0 - 6.0-9.7 HA LYS 12 - HD2 LYS 13 far 0 96 0 - 6.2-8.2 HA ALA 22 - HD2 LYS 24 far 0 69 0 - 6.2-8.1 HA ARG 91 - HD3 LYS 90 far 0 41 0 - 6.4-7.7 HA LYS 12 - HD3 LYS 13 far 0 96 0 - 6.4-8.4 HA LYS 94 - HD3 LYS 24 far 0 89 0 - 6.5-10.4 HA ALA 22 - HD3 LYS 24 far 0 69 0 - 6.5-8.9 HA LYS 94 - HD2 LYS 24 far 0 88 0 - 7.1-10.0 HB3 SER 49 - HD3 LYS 47 far 0 74 0 - 7.6-9.6 HA LYS 94 - HB3 ARG 91 far 0 73 0 - 8.2-8.5 HA LYS 12 - HD2 LYS 20 far 0 73 0 - 8.2-9.8 HA ALA 22 - HD3 LYS 20 far 0 45 0 - 8.4-10.9 HA LYS 12 - HD3 LYS 20 far 0 65 0 - 8.8-11.0 HA LYS 40 - HD2 LYS 47 far 0 69 0 - 9.0-11.4 HA ARG 91 - HD2 LYS 24 far 0 60 0 - 9.1-13.1 HA ARG 91 - HD3 LYS 24 far 0 61 0 - 9.2-12.9 HA LYS 40 - HD3 LYS 47 far 0 71 0 - 9.3-10.7 HA ALA 22 - HD2 LYS 20 far 0 51 0 - 9.3-11.1 HA LYS 94 - HD3 LYS 90 far 0 64 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 439 from cnoeabs.peaks (1.86, 1.70, 29.09 ppm; 3.81 A increased from 3.05 A): 7 out of 45 assignments used, quality = 1.00: HB2 LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.1-3.7 3.6=100 HB3 LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.4-3.9 3.6=100 HB3 LYS 12 + HD2 LYS 12 OK 100 100 100 100 3.1-4.1 3.6=100 * HB2 LYS 12 + HD2 LYS 12 OK 90 100 90 100 2.2-4.2 3.6=100 HB2 LYS 20 + HD2 LYS 20 OK 55 55 100 100 2.4-4.0 3.5=100 HB2 LYS 20 + HD3 LYS 20 OK 49 49 100 100 2.1-3.9 3.5=100 HB3 LYS 90 + HD3 LYS 90 OK 44 44 100 100 2.9-4.1 3.6=100 HB2 LYS 20 - HD3 LYS 24 poor 15 74 20 - 3.2-9.6 HB2 ARG 19 - HD3 LYS 20 far 5 45 10 - 3.5-7.3 HB2 LYS 20 - HD2 LYS 24 far 4 73 5 - 3.7-8.3 HG2 ARG 46 - HD2 LYS 47 far 4 36 10 - 3.9-9.4 HB3 LEU 14 - HG12 ILE 15 far 2 34 5 - 3.2-5.5 HB2 ARG 19 - HD2 LYS 20 far 0 51 0 - 4.5-6.7 HB3 LYS 12 - HD2 LYS 13 far 0 96 0 - 4.9-7.3 HB2 LYS 12 - HD2 LYS 13 far 0 96 0 - 4.9-7.5 HG2 ARG 46 - HD3 LYS 47 far 0 37 0 - 4.9-9.2 HB3 LYS 12 - HD3 LYS 13 far 0 96 0 - 5.0-7.4 HB2 LYS 12 - HD3 LYS 13 far 0 96 0 - 5.1-7.6 HB3 LYS 90 - HB3 ARG 91 far 0 52 0 - 5.6-6.0 HB2 LYS 12 - HG12 ILE 15 far 0 68 0 - 6.4-7.5 HB3 LYS 90 - HD3 LYS 24 far 0 66 0 - 6.5-9.8 HB3 LYS 12 - HG12 ILE 15 far 0 68 0 - 6.6-7.9 HB3 LEU 14 - HD3 LYS 12 far 0 61 0 - 6.7-8.5 HB3 LEU 14 - HD2 LYS 12 far 0 61 0 - 6.8-9.3 HB3 LEU 14 - HD2 LYS 13 far 0 55 0 - 6.9-8.6 HB3 LYS 90 - HD2 LYS 24 far 0 65 0 - 6.9-10.3 HB3 LYS 90 - HD3 LYS 20 far 0 43 0 - 6.9-10.2 HB ILE 8 - HG12 ILE 15 far 0 44 0 - 7.1-8.1 HB3 LEU 14 - HD3 LYS 13 far 0 55 0 - 7.3-8.7 HB2 LYS 12 - HD2 LYS 20 far 0 73 0 - 7.7-9.3 HB2 LYS 20 - HD3 LYS 90 far 0 51 0 - 7.8-9.0 HB2 ARG 19 - HD3 LYS 24 far 0 69 0 - 7.8-12.5 HB2 ARG 19 - HD2 LYS 24 far 0 69 0 - 7.8-11.5 HB2 ARG 19 - HD3 LYS 12 far 0 81 0 - 7.9-12.5 HB3 LYS 90 - HD2 LYS 20 far 0 49 0 - 7.9-10.2 HB3 LEU 14 - HD3 LYS 90 far 0 34 0 - 8.0-11.0 HB2 ARG 19 - HG12 ILE 15 far 0 48 0 - 8.0-8.9 HB2 LYS 12 - HD3 LYS 20 far 0 65 0 - 8.1-10.2 HB2 ARG 19 - HD2 LYS 12 far 0 81 0 - 8.6-11.6 HB3 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.2-10.8 HB2 LYS 20 - HD2 LYS 13 far 0 78 0 - 9.3-14.4 HB3 LEU 14 - HD2 LYS 20 far 0 37 0 - 9.4-10.8 HB2 LYS 20 - HD3 LYS 13 far 0 78 0 - 9.5-13.6 HB3 LYS 12 - HD3 LYS 20 far 0 65 0 - 9.7-11.8 HB3 LEU 14 - HD3 LYS 20 far 0 33 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 440 from cnoeabs.peaks (1.87, 1.70, 29.09 ppm; 3.81 A increased from 3.05 A): 7 out of 45 assignments used, quality = 1.00: HB3 LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.4-3.9 3.6=100 * HB3 LYS 12 + HD2 LYS 12 OK 100 100 100 100 3.1-4.1 3.6=100 HB2 LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.1-3.7 3.6=100 HB2 LYS 12 + HD2 LYS 12 OK 90 100 90 100 2.2-4.2 3.6=100 HB2 LYS 20 + HD2 LYS 20 OK 58 58 100 100 2.4-4.0 3.5=100 HB2 LYS 20 + HD3 LYS 20 OK 51 51 100 100 2.1-3.9 3.5=100 HB3 LYS 90 + HD3 LYS 90 OK 42 42 100 100 2.9-4.1 3.6=100 HB2 LYS 20 - HD3 LYS 24 poor 15 77 20 - 3.2-9.6 HB2 ARG 19 - HD3 LYS 20 far 5 48 10 - 3.5-7.3 HB2 LYS 20 - HD2 LYS 24 far 4 76 5 - 3.7-8.3 HB3 LEU 14 - HG12 ILE 15 far 2 37 5 - 3.2-5.5 HB2 ARG 19 - HD2 LYS 20 far 0 54 0 - 4.5-6.7 HB2 GLU 43 - HD3 LYS 47 far 0 36 0 - 4.6-7.3 HB3 LYS 12 - HD2 LYS 13 far 0 96 0 - 4.9-7.3 HB2 LYS 12 - HD2 LYS 13 far 0 96 0 - 4.9-7.5 HB2 GLU 43 - HD2 LYS 47 far 0 34 0 - 5.0-7.5 HB3 LYS 12 - HD3 LYS 13 far 0 96 0 - 5.0-7.4 HB2 LYS 12 - HD3 LYS 13 far 0 96 0 - 5.1-7.6 HB3 LYS 90 - HB3 ARG 91 far 0 49 0 - 5.6-6.0 HB2 LYS 12 - HG12 ILE 15 far 0 68 0 - 6.4-7.5 HB3 LYS 90 - HD3 LYS 24 far 0 62 0 - 6.5-9.8 HB3 LYS 12 - HG12 ILE 15 far 0 68 0 - 6.6-7.9 HB3 LEU 14 - HD3 LYS 12 far 0 65 0 - 6.7-8.5 HB3 LEU 14 - HD2 LYS 12 far 0 65 0 - 6.8-9.3 HB3 LEU 14 - HD2 LYS 13 far 0 59 0 - 6.9-8.6 HB3 LYS 90 - HD2 LYS 24 far 0 62 0 - 6.9-10.3 HB3 LYS 90 - HD3 LYS 20 far 0 40 0 - 6.9-10.2 HB ILE 8 - HG12 ILE 15 far 0 46 0 - 7.1-8.1 HB3 LEU 14 - HD3 LYS 13 far 0 59 0 - 7.3-8.7 HB2 LYS 12 - HD2 LYS 20 far 0 73 0 - 7.7-9.3 HB2 LYS 20 - HD3 LYS 90 far 0 53 0 - 7.8-9.0 HB2 ARG 19 - HD3 LYS 24 far 0 72 0 - 7.8-12.5 HB2 ARG 19 - HD2 LYS 24 far 0 72 0 - 7.8-11.5 HB2 ARG 19 - HD3 LYS 12 far 0 84 0 - 7.9-12.5 HB3 LYS 90 - HD2 LYS 20 far 0 46 0 - 7.9-10.2 HB3 LEU 14 - HD3 LYS 90 far 0 37 0 - 8.0-11.0 HB2 ARG 19 - HG12 ILE 15 far 0 50 0 - 8.0-8.9 HB2 LYS 12 - HD3 LYS 20 far 0 65 0 - 8.1-10.2 HB2 ARG 19 - HD2 LYS 12 far 0 84 0 - 8.6-11.6 HB3 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.2-10.8 HB2 LYS 20 - HD2 LYS 13 far 0 81 0 - 9.3-14.4 HB3 LEU 14 - HD2 LYS 20 far 0 40 0 - 9.4-10.8 HB2 LYS 20 - HD3 LYS 13 far 0 81 0 - 9.5-13.6 HB3 LYS 12 - HD3 LYS 20 far 0 65 0 - 9.7-11.8 HB3 LEU 14 - HD3 LYS 20 far 0 35 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 441 from cnoeabs.peaks (1.45, 1.70, 29.09 ppm; 3.00 A increased from 2.83 A): 7 out of 42 assignments used, quality = 1.00: * HG2 LYS 12 + HD2 LYS 12 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 13 + HD2 LYS 13 OK 90 90 100 100 2.3-3.0 3.0=100 HG2 LYS 13 + HD3 LYS 13 OK 90 90 100 100 2.3-3.0 3.0=100 HG3 ARG 91 + HB3 ARG 91 OK 75 75 100 100 2.3-3.0 2.8=100 HG2 LYS 20 + HD2 LYS 20 OK 68 68 100 100 2.2-3.0 2.8=100 HG2 LYS 20 + HD3 LYS 20 OK 61 61 100 100 2.4-2.9 2.8=100 HG12 ILE 7 - HG12 ILE 15 far 0 56 0 - 5.0-5.8 HG2 LYS 20 - HD3 LYS 24 far 0 88 0 - 5.3-10.4 HG2 LYS 12 - HG12 ILE 15 far 0 68 0 - 5.7-6.4 QB ALA 22 - HD3 LYS 20 far 0 62 0 - 5.8-8.6 HG2 LYS 20 - HD2 LYS 24 far 0 88 0 - 5.9-9.0 QB ALA 22 - HD2 LYS 24 far 0 89 0 - 5.9-7.9 HG2 LYS 20 - HD3 LYS 90 far 0 63 0 - 6.0-10.5 QB ALA 22 - HD3 LYS 24 far 0 89 0 - 6.2-8.6 QB ALA 22 - HD2 LYS 20 far 0 70 0 - 6.8-8.7 HG2 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.9-8.9 HG2 LYS 12 - HD2 LYS 13 far 0 96 0 - 7.3-9.6 HG2 LYS 13 - HD2 LYS 12 far 0 96 0 - 7.4-9.5 HG2 LYS 12 - HD3 LYS 13 far 0 96 0 - 7.5-9.9 HG LEU 29 - HG12 ILE 15 far 0 65 0 - 7.6-9.0 HG13 ILE 76 - HD2 LYS 47 far 0 70 0 - 7.9-11.4 HG2 LYS 13 - HD2 LYS 20 far 0 66 0 - 7.9-10.6 HG2 LYS 20 - HD3 LYS 13 far 0 92 0 - 8.1-13.0 QB ALA 22 - HD3 LYS 90 far 0 64 0 - 8.3-9.6 HG3 ARG 91 - HD3 LYS 90 far 0 66 0 - 8.3-9.8 HG2 LYS 13 - HD3 LYS 20 far 0 59 0 - 8.5-12.2 QB ALA 22 - HG12 ILE 15 far 0 65 0 - 8.5-9.5 HG13 ILE 76 - HD3 LYS 47 far 0 72 0 - 8.7-11.2 HG13 ILE 52 - HD3 LYS 47 far 0 70 0 - 8.7-11.3 HG2 LYS 20 - HD2 LYS 13 far 0 92 0 - 8.7-13.4 HB2 LEU 27 - HD2 LYS 24 far 0 88 0 - 8.8-11.3 HG2 LYS 13 - HG12 ILE 15 far 0 61 0 - 8.9-10.6 HG2 LYS 12 - HD2 LYS 20 far 0 73 0 - 8.9-11.4 HG12 ILE 7 - HD3 LYS 90 far 0 55 0 - 9.0-11.4 HG2 LYS 12 - HD3 LYS 20 far 0 65 0 - 9.0-13.0 HG LEU 29 - HD3 LYS 20 far 0 62 0 - 9.3-12.8 HB2 LEU 27 - HD3 LYS 24 far 0 88 0 - 9.4-11.8 HG2 LYS 20 - HD2 LYS 12 far 0 98 0 - 9.4-13.7 HG2 LYS 13 - HD3 LYS 90 far 0 61 0 - 9.5-12.5 HG2 LYS 20 - HD3 LYS 12 far 0 98 0 - 9.7-14.1 HG2 LYS 20 - HG12 ILE 15 far 0 64 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 442 from cnoeabs.peaks (1.59, 1.70, 29.09 ppm; 2.72 A increased from 2.41 A): 7 out of 46 assignments used, quality = 1.00: HG3 LYS 12 + HD3 LYS 12 OK 88 100 90 98 2.5-3.0 3.0=76, 464/3.0=30...(46) * HG3 LYS 12 + HD2 LYS 12 OK 88 100 90 98 2.3-3.0 3.0=76, 464/3.0=30...(45) HG2 LYS 24 + HD3 LYS 24 OK 83 91 95 97 2.3-3.0 3.0=78, 1091/1.8=10...(55) HG2 LYS 24 + HD2 LYS 24 OK 70 90 80 97 2.3-3.0 3.0=78, 1091/1.8=10...(55) HG3 LYS 90 + HD3 LYS 90 OK 62 64 100 97 2.5-2.8 2.9=79, 2.8/3942=22...(26) HG3 LYS 47 + HD2 LYS 47 OK 50 51 100 98 2.4-2.7 3.0=76, 6773/6775=7...(88) HG3 LYS 47 + HD3 LYS 47 OK 44 53 85 98 2.4-3.0 3.0=76, 1.8/2164=12...(83) HG2 ARG 19 - HD3 LYS 20 far 0 63 0 - 4.4-9.2 HD3 LYS 94 - HB3 ARG 91 far 0 76 0 - 4.7-8.2 HG3 LYS 90 - HD3 LYS 20 far 0 62 0 - 5.0-8.2 HD2 LYS 94 - HD3 LYS 24 far 0 66 0 - 5.0-11.0 HG2 ARG 19 - HG12 ILE 15 far 0 65 0 - 5.2-7.2 HG2 ARG 19 - HD2 LYS 20 far 0 70 0 - 5.2-8.4 HD2 LYS 94 - HB3 ARG 91 far 0 52 0 - 5.5-9.1 HG2 ARG 19 - HD3 LYS 12 far 0 99 0 - 5.6-11.5 HG3 LYS 90 - HD2 LYS 20 far 0 70 0 - 5.8-8.1 HD2 LYS 94 - HD2 LYS 24 far 0 65 0 - 6.0-11.2 HD3 LYS 94 - HD3 LYS 24 far 0 92 0 - 6.0-12.8 HD3 LYS 94 - HD3 LYS 90 far 0 67 0 - 6.2-11.7 HG3 LYS 90 - HD3 LYS 24 far 0 89 0 - 6.2-9.4 HG2 ARG 19 - HD2 LYS 12 far 0 99 0 - 6.7-10.0 HG3 LYS 90 - HD2 LYS 24 far 0 89 0 - 6.7-10.1 HG3 LYS 12 - HD2 LYS 13 far 0 96 0 - 7.0-9.4 HG3 LYS 12 - HD3 LYS 13 far 0 96 0 - 7.0-9.7 HD3 LYS 94 - HD2 LYS 24 far 0 91 0 - 7.1-12.9 HG3 LYS 90 - HB3 ARG 91 far 0 74 0 - 7.2-7.5 HG2 LYS 24 - HD3 LYS 20 far 0 63 0 - 7.2-12.3 HD2 LYS 94 - HD3 LYS 90 far 0 44 0 - 7.3-11.7 HG3 LYS 12 - HG12 ILE 15 far 0 68 0 - 7.3-8.1 HB3 LEU 29 - HD3 LYS 20 far 0 65 0 - 7.9-11.2 HG2 LYS 24 - HD2 LYS 20 far 0 71 0 - 8.1-11.6 HG LEU 27 - HD2 LYS 24 far 0 91 0 - 8.8-11.0 HG2 ARG 19 - HD3 LYS 13 far 0 94 0 - 8.8-14.6 HG LEU 27 - HD3 LYS 24 far 0 92 0 - 8.8-11.1 HB2 ARG 30 - HG12 ILE 15 far 0 65 0 - 9.1-11.2 HB3 LEU 29 - HD2 LYS 20 far 0 73 0 - 9.1-10.9 HB3 LEU 29 - HD2 LYS 24 far 0 92 0 - 9.1-11.9 HB3 LEU 29 - HG12 ILE 15 far 0 68 0 - 9.4-10.8 HG2 ARG 19 - HD3 LYS 90 far 0 65 0 - 9.5-11.7 HG2 ARG 19 - HD2 LYS 13 far 0 94 0 - 9.5-15.1 HB3 LEU 29 - HD3 LYS 24 far 0 92 0 - 9.6-12.9 HG3 LYS 90 - HD2 LYS 13 far 0 94 0 - 9.6-13.1 HG2 ARG 19 - HD2 LYS 24 far 0 90 0 - 9.7-13.2 HG2 ARG 19 - HD3 LYS 24 far 0 90 0 - 9.7-14.3 HG3 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.8-11.8 HG3 LYS 90 - HD3 LYS 13 far 0 93 0 - 9.9-12.9 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): 7 out of 29 assignments used, quality = 1.00: HE2 LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 12 + HD2 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 2.3-3.0 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 2.3-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 44 44 100 100 2.3-3.0 3.0=100 HB2 SER 9 + HG12 ILE 15 OK 25 61 45 92 3.1-4.6 8320=31, 8444/1.8=27...(18) HB3 ASP 11 - HD2 LYS 13 far 0 92 0 - 4.4-7.2 HE2 LYS 12 - HG12 ILE 15 far 0 68 0 - 4.5-8.3 HB3 ASP 11 - HG12 ILE 15 far 0 63 0 - 4.6-7.1 HE3 LYS 33 - HG12 ILE 15 far 0 63 0 - 5.6-8.5 HB3 ASP 11 - HD3 LYS 12 far 0 98 0 - 5.6-8.1 HB3 ASP 11 - HD3 LYS 13 far 0 92 0 - 5.6-7.5 HB3 ASP 11 - HD2 LYS 12 far 0 98 0 - 5.6-8.7 HE2 LYS 33 - HG12 ILE 15 far 0 63 0 - 5.7-7.9 HE2 LYS 33 - HD2 LYS 12 far 0 98 0 - 5.8-9.6 HE3 LYS 33 - HD2 LYS 12 far 0 98 0 - 6.1-10.4 HB2 SER 9 - HD2 LYS 12 far 0 96 0 - 6.1-11.1 HB2 SER 9 - HD3 LYS 12 far 0 96 0 - 6.2-9.5 HE2 LYS 33 - HD3 LYS 12 far 0 98 0 - 6.5-8.4 HE3 LYS 33 - HD3 LYS 12 far 0 98 0 - 6.6-9.3 HB2 PHE 45 - HD3 LYS 47 far 0 58 0 - 7.2-8.6 HE2 LYS 12 - HD2 LYS 13 far 0 96 0 - 7.6-11.5 HB2 PHE 45 - HD2 LYS 47 far 0 56 0 - 7.8-9.3 HE2 LYS 12 - HD3 LYS 13 far 0 96 0 - 8.4-11.8 HB2 SER 9 - HD2 LYS 13 far 0 89 0 - 9.5-12.2 HB3 ASP 11 - HD3 LYS 90 far 0 62 0 - 9.7-13.1 HE2 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.9-12.6 HE2 LYS 12 - HD3 LYS 20 far 0 65 0 - 10.0-14.1 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 2.3-3.0 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 2.5-3.0 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 2.3-3.0 2.9=100 HE3 LYS 13 + HD3 LYS 13 OK 95 95 100 100 2.5-3.0 2.9=100 HE2 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.3-3.0 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 2.3-3.0 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 2.3-3.0 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 2.3-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 70 70 100 100 2.3-3.0 3.0=100 HE3 LYS 90 + HD3 LYS 90 OK 46 46 100 100 2.2-3.0 3.0=100 HB2 SER 9 - HG12 ILE 15 far 8 50 15 - 3.1-4.6 HG2 MET 21 - HD3 LYS 90 far 0 51 0 - 4.2-5.4 HB3 ASP 11 - HD2 LYS 13 far 0 72 0 - 4.4-7.2 HE3 LYS 90 - HD3 LYS 20 far 0 44 0 - 4.4-8.4 HB3 ASP 11 - HG12 ILE 15 far 0 46 0 - 4.6-7.1 HE3 LYS 12 - HG12 ILE 15 far 0 68 0 - 4.6-8.2 HG2 MET 21 - HD3 LYS 24 far 0 74 0 - 5.1-8.0 HG2 MET 21 - HD2 LYS 24 far 0 73 0 - 5.5-8.4 HE3 LYS 90 - HD2 LYS 20 far 0 50 0 - 5.6-8.5 HB3 ASP 11 - HD3 LYS 12 far 0 79 0 - 5.6-8.1 HB3 ASP 11 - HD3 LYS 13 far 0 72 0 - 5.6-7.5 HB3 ASP 11 - HD2 LYS 12 far 0 79 0 - 5.6-8.7 HE3 LYS 24 - HD3 LYS 20 far 0 65 0 - 5.8-12.5 HB2 ASN 10 - HD2 LYS 12 far 0 63 0 - 5.9-11.0 HG2 MET 21 - HD3 LYS 20 far 0 49 0 - 6.0-9.1 HE2 LYS 24 - HD3 LYS 20 far 0 65 0 - 6.1-12.3 HB2 SER 9 - HD2 LYS 12 far 0 84 0 - 6.1-11.1 HB2 SER 9 - HD3 LYS 12 far 0 84 0 - 6.2-9.5 HB2 ASN 10 - HD3 LYS 12 far 0 63 0 - 6.4-10.1 HE3 LYS 13 - HD3 LYS 12 far 0 100 0 - 6.5-10.7 HE2 LYS 13 - HD2 LYS 20 far 0 72 0 - 6.5-12.1 HG2 MET 21 - HB3 ARG 91 far 0 59 0 - 6.9-7.5 HE3 LYS 24 - HD2 LYS 20 far 0 72 0 - 6.9-12.0 HG2 MET 21 - HD2 LYS 20 far 0 55 0 - 6.9-9.4 HE3 LYS 90 - HD2 LYS 24 far 0 67 0 - 7.1-11.6 HB2 ASN 10 - HG12 ILE 15 far 0 36 0 - 7.1-8.1 HE3 LYS 13 - HD2 LYS 12 far 0 100 0 - 7.1-11.2 HB2 PHE 45 - HD3 LYS 47 far 0 65 0 - 7.2-8.6 HE2 LYS 13 - HD2 LYS 12 far 0 100 0 - 7.2-12.0 HE3 LYS 90 - HD3 LYS 24 far 0 67 0 - 7.3-10.7 HE3 LYS 12 - HD3 LYS 13 far 0 96 0 - 7.3-11.8 HB3 PHE 45 - HD3 LYS 47 far 0 74 0 - 7.3-9.1 HE3 LYS 90 - HB3 ARG 91 far 0 53 0 - 7.4-8.9 HE3 LYS 13 - HD3 LYS 90 far 0 66 0 - 7.4-13.8 HE2 LYS 13 - HD3 LYS 12 far 0 100 0 - 7.5-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 72 0 - 7.5-11.7 HE2 LYS 13 - HD3 LYS 20 far 0 64 0 - 7.5-13.3 HE3 LYS 13 - HD2 LYS 20 far 0 71 0 - 7.5-11.8 HE3 LYS 13 - HD3 LYS 20 far 0 64 0 - 7.6-13.1 HE3 LYS 12 - HD2 LYS 13 far 0 96 0 - 7.7-11.9 HE3 LYS 90 - HD2 LYS 13 far 0 72 0 - 7.7-13.0 HB2 PHE 45 - HD2 LYS 47 far 0 63 0 - 7.8-9.3 HE3 LYS 90 - HD3 LYS 13 far 0 72 0 - 8.0-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 73 0 - 8.1-13.3 HB3 PHE 45 - HD2 LYS 47 far 0 72 0 - 8.2-9.6 HE3 LYS 12 - HD3 LYS 20 far 0 65 0 - 8.2-14.3 HE2 LYS 13 - HD3 LYS 90 far 0 66 0 - 8.4-13.0 HE3 LYS 24 - HD3 LYS 90 far 0 67 0 - 8.9-13.3 HB2 SER 9 - HD2 LYS 13 far 0 77 0 - 9.5-12.2 HE2 LYS 24 - HD3 LYS 90 far 0 67 0 - 9.6-13.5 HE3 LYS 13 - HG12 ILE 15 far 0 66 0 - 9.7-12.9 HB3 ASP 11 - HD3 LYS 90 far 0 46 0 - 9.7-13.1 HB2 ASN 10 - HD2 LYS 13 far 0 57 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 447 from cnoeabs.peaks (8.07, 1.70, 29.09 ppm; 3.53 A): 3 out of 33 assignments used, quality = 0.79: H ILE 15 + HG12 ILE 15 OK 51 68 75 100 2.2-4.0 6217/2.9=67, 677/2.1=64...(17) H LYS 90 + HD3 LYS 90 OK 43 46 95 99 3.2-4.1 7422=47, 7419/2.9=41...(19) H GLU 17 + HD2 LYS 20 OK 27 68 55 71 3.4-5.0 6250/12058=41, 3.6/850=9...(19) H LYS 13 - HD2 LYS 13 far 5 96 5 - 3.6-5.2 H LYS 13 - HD3 LYS 13 far 0 96 0 - 4.0-5.2 H GLU 17 - HD3 LYS 20 far 0 61 0 - 4.1-6.1 H LYS 13 - HD3 LYS 12 far 0 100 0 - 4.5-5.6 ! H LYS 13 - HD2 LYS 12 far 0 100 0 - 4.7-6.6 H LYS 90 - HB3 ARG 91 far 0 53 0 - 4.8-5.0 H ILE 15 - HD3 LYS 12 far 0 100 0 - 5.0-6.8 H GLU 17 - HD3 LYS 13 far 0 92 0 - 5.1-8.3 H GLU 17 - HD2 LYS 13 far 0 92 0 - 5.2-8.5 H GLU 17 - HD3 LYS 90 far 0 63 0 - 5.3-7.9 H ILE 15 - HD2 LYS 12 far 0 100 0 - 5.3-7.0 H LYS 13 - HG12 ILE 15 far 0 68 0 - 5.5-7.2 H GLU 17 - HG12 ILE 15 far 0 64 0 - 6.2-7.3 H ILE 15 - HD2 LYS 13 far 0 96 0 - 6.3-8.2 H ILE 15 - HD3 LYS 13 far 0 96 0 - 6.4-8.1 H GLU 17 - HD3 LYS 12 far 0 98 0 - 7.0-10.0 H ILE 15 - HD2 LYS 20 far 0 73 0 - 7.4-8.6 H GLU 17 - HD2 LYS 12 far 0 98 0 - 7.5-9.9 H LYS 90 - HD3 LYS 20 far 0 44 0 - 8.0-10.9 H ILE 15 - HD3 LYS 90 far 0 67 0 - 8.0-11.0 H ILE 15 - HD3 LYS 20 far 0 65 0 - 8.2-10.0 H LYS 90 - HD2 LYS 20 far 0 50 0 - 8.5-10.9 H LYS 13 - HD2 LYS 20 far 0 73 0 - 8.6-9.8 H LYS 13 - HD3 LYS 20 far 0 65 0 - 9.2-11.1 H LYS 90 - HD3 LYS 24 far 0 67 0 - 9.4-12.5 H LYS 90 - HG12 ILE 15 far 0 46 0 - 9.8-11.3 H GLU 17 - HD2 LYS 24 far 0 88 0 - 9.9-12.4 H GLU 17 - HD3 LYS 24 far 0 88 0 - 9.9-13.5 H LYS 13 - HD3 LYS 90 far 0 67 0 - 9.9-12.7 H LYS 90 - HD2 LYS 24 far 0 67 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 448 from cnoeabs.peaks (8.56, 1.70, 29.09 ppm; 5.57 A): 2 out of 8 assignments used, quality = 1.00: * H LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.0-5.0 6152/3.6=95, 6155/3.0=93...(21) H LYS 12 + HD2 LYS 12 OK 100 100 100 100 2.1-5.3 6153/3.6=95, 6155/3.0=93...(21) H LYS 12 - HG12 ILE 15 far 3 68 5 - 5.4-6.9 H LYS 12 - HD2 LYS 13 far 0 96 0 - 6.0-7.7 H LYS 12 - HD3 LYS 13 far 0 96 0 - 6.1-7.7 H GLN 50 - HD2 LYS 47 far 0 66 0 - 7.7-10.5 H GLN 50 - HD3 LYS 47 far 0 68 0 - 9.1-11.0 H VAL 58 - HG12 ILE 15 far 0 57 0 - 9.8-11.0 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 25 assignments used, quality = 1.00: * HA LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.3-3.8 384/3.0=75, 5.2=51...(41) HA LYS 12 + HD2 LYS 12 OK 100 100 100 100 2.4-4.0 384/3.0=75, 5.2=51...(39) HA ARG 91 + HB3 ARG 91 OK 47 47 100 100 3.0-3.0 3.0=100 HA LYS 12 + HG12 ILE 15 OK 41 68 60 100 3.9-4.9 8381/2.1=91, 644/2.9=71...(9) HA GLU 43 - HD3 LYS 47 far 0 53 0 - 4.9-7.6 HA GLU 43 - HD2 LYS 47 far 0 51 0 - 5.6-7.9 HB3 SER 49 - HD2 LYS 47 far 0 72 0 - 6.0-9.7 HA LYS 12 - HD2 LYS 13 far 0 96 0 - 6.2-8.2 HA ALA 22 - HD2 LYS 24 far 0 69 0 - 6.2-8.1 HA ARG 91 - HD3 LYS 90 far 0 41 0 - 6.4-7.7 HA LYS 12 - HD3 LYS 13 far 0 96 0 - 6.4-8.4 HA LYS 94 - HD3 LYS 24 far 0 89 0 - 6.5-10.4 HA ALA 22 - HD3 LYS 24 far 0 69 0 - 6.5-8.9 HA LYS 94 - HD2 LYS 24 far 0 88 0 - 7.1-10.0 HB3 SER 49 - HD3 LYS 47 far 0 74 0 - 7.6-9.6 HA LYS 94 - HB3 ARG 91 far 0 73 0 - 8.2-8.5 HA LYS 12 - HD2 LYS 20 far 0 73 0 - 8.2-9.8 HA ALA 22 - HD3 LYS 20 far 0 45 0 - 8.4-10.9 HA LYS 12 - HD3 LYS 20 far 0 65 0 - 8.8-11.0 HA LYS 40 - HD2 LYS 47 far 0 69 0 - 9.0-11.4 HA ARG 91 - HD2 LYS 24 far 0 60 0 - 9.1-13.1 HA ARG 91 - HD3 LYS 24 far 0 61 0 - 9.2-12.9 HA LYS 40 - HD3 LYS 47 far 0 71 0 - 9.3-10.7 HA ALA 22 - HD2 LYS 20 far 0 51 0 - 9.3-11.1 HA LYS 94 - HD3 LYS 90 far 0 64 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 450 from cnoeabs.peaks (1.86, 1.70, 29.09 ppm; 3.81 A increased from 3.05 A): 7 out of 45 assignments used, quality = 1.00: * HB2 LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.1-3.7 3.6=100 HB3 LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.4-3.9 3.6=100 HB3 LYS 12 + HD2 LYS 12 OK 100 100 100 100 3.1-4.1 3.6=100 HB2 LYS 12 + HD2 LYS 12 OK 90 100 90 100 2.2-4.2 3.6=100 HB2 LYS 20 + HD2 LYS 20 OK 55 55 100 100 2.4-4.0 3.5=100 HB2 LYS 20 + HD3 LYS 20 OK 49 49 100 100 2.1-3.9 3.5=100 HB3 LYS 90 + HD3 LYS 90 OK 44 44 100 100 2.9-4.1 3.6=100 HB2 LYS 20 - HD3 LYS 24 poor 15 74 20 - 3.2-9.6 HB2 ARG 19 - HD3 LYS 20 far 5 45 10 - 3.5-7.3 HB2 LYS 20 - HD2 LYS 24 far 4 73 5 - 3.7-8.3 HG2 ARG 46 - HD2 LYS 47 far 4 36 10 - 3.9-9.4 HB3 LEU 14 - HG12 ILE 15 far 2 34 5 - 3.2-5.5 HB2 ARG 19 - HD2 LYS 20 far 0 51 0 - 4.5-6.7 HB3 LYS 12 - HD2 LYS 13 far 0 96 0 - 4.9-7.3 HB2 LYS 12 - HD2 LYS 13 far 0 96 0 - 4.9-7.5 HG2 ARG 46 - HD3 LYS 47 far 0 37 0 - 4.9-9.2 HB3 LYS 12 - HD3 LYS 13 far 0 96 0 - 5.0-7.4 HB2 LYS 12 - HD3 LYS 13 far 0 96 0 - 5.1-7.6 HB3 LYS 90 - HB3 ARG 91 far 0 52 0 - 5.6-6.0 HB2 LYS 12 - HG12 ILE 15 far 0 68 0 - 6.4-7.5 HB3 LYS 90 - HD3 LYS 24 far 0 66 0 - 6.5-9.8 HB3 LYS 12 - HG12 ILE 15 far 0 68 0 - 6.6-7.9 HB3 LEU 14 - HD3 LYS 12 far 0 61 0 - 6.7-8.5 HB3 LEU 14 - HD2 LYS 12 far 0 61 0 - 6.8-9.3 HB3 LEU 14 - HD2 LYS 13 far 0 55 0 - 6.9-8.6 HB3 LYS 90 - HD2 LYS 24 far 0 65 0 - 6.9-10.3 HB3 LYS 90 - HD3 LYS 20 far 0 43 0 - 6.9-10.2 HB ILE 8 - HG12 ILE 15 far 0 44 0 - 7.1-8.1 HB3 LEU 14 - HD3 LYS 13 far 0 55 0 - 7.3-8.7 HB2 LYS 12 - HD2 LYS 20 far 0 73 0 - 7.7-9.3 HB2 LYS 20 - HD3 LYS 90 far 0 51 0 - 7.8-9.0 HB2 ARG 19 - HD3 LYS 24 far 0 69 0 - 7.8-12.5 HB2 ARG 19 - HD2 LYS 24 far 0 69 0 - 7.8-11.5 HB2 ARG 19 - HD3 LYS 12 far 0 81 0 - 7.9-12.5 HB3 LYS 90 - HD2 LYS 20 far 0 49 0 - 7.9-10.2 HB3 LEU 14 - HD3 LYS 90 far 0 34 0 - 8.0-11.0 HB2 ARG 19 - HG12 ILE 15 far 0 48 0 - 8.0-8.9 HB2 LYS 12 - HD3 LYS 20 far 0 65 0 - 8.1-10.2 HB2 ARG 19 - HD2 LYS 12 far 0 81 0 - 8.6-11.6 HB3 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.2-10.8 HB2 LYS 20 - HD2 LYS 13 far 0 78 0 - 9.3-14.4 HB3 LEU 14 - HD2 LYS 20 far 0 37 0 - 9.4-10.8 HB2 LYS 20 - HD3 LYS 13 far 0 78 0 - 9.5-13.6 HB3 LYS 12 - HD3 LYS 20 far 0 65 0 - 9.7-11.8 HB3 LEU 14 - HD3 LYS 20 far 0 33 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 451 from cnoeabs.peaks (1.87, 1.70, 29.09 ppm; 3.81 A increased from 3.05 A): 7 out of 45 assignments used, quality = 1.00: * HB3 LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.4-3.9 3.6=100 HB3 LYS 12 + HD2 LYS 12 OK 100 100 100 100 3.1-4.1 3.6=100 HB2 LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.1-3.7 3.6=100 HB2 LYS 12 + HD2 LYS 12 OK 90 100 90 100 2.2-4.2 3.6=100 HB2 LYS 20 + HD2 LYS 20 OK 58 58 100 100 2.4-4.0 3.5=100 HB2 LYS 20 + HD3 LYS 20 OK 51 51 100 100 2.1-3.9 3.5=100 HB3 LYS 90 + HD3 LYS 90 OK 42 42 100 100 2.9-4.1 3.6=100 HB2 LYS 20 - HD3 LYS 24 poor 15 77 20 - 3.2-9.6 HB2 ARG 19 - HD3 LYS 20 far 5 48 10 - 3.5-7.3 HB2 LYS 20 - HD2 LYS 24 far 4 76 5 - 3.7-8.3 HB3 LEU 14 - HG12 ILE 15 far 2 37 5 - 3.2-5.5 HB2 ARG 19 - HD2 LYS 20 far 0 54 0 - 4.5-6.7 HB2 GLU 43 - HD3 LYS 47 far 0 36 0 - 4.6-7.3 HB3 LYS 12 - HD2 LYS 13 far 0 96 0 - 4.9-7.3 HB2 LYS 12 - HD2 LYS 13 far 0 96 0 - 4.9-7.5 HB2 GLU 43 - HD2 LYS 47 far 0 34 0 - 5.0-7.5 HB3 LYS 12 - HD3 LYS 13 far 0 96 0 - 5.0-7.4 HB2 LYS 12 - HD3 LYS 13 far 0 96 0 - 5.1-7.6 HB3 LYS 90 - HB3 ARG 91 far 0 49 0 - 5.6-6.0 HB2 LYS 12 - HG12 ILE 15 far 0 68 0 - 6.4-7.5 HB3 LYS 90 - HD3 LYS 24 far 0 62 0 - 6.5-9.8 HB3 LYS 12 - HG12 ILE 15 far 0 68 0 - 6.6-7.9 HB3 LEU 14 - HD3 LYS 12 far 0 65 0 - 6.7-8.5 HB3 LEU 14 - HD2 LYS 12 far 0 65 0 - 6.8-9.3 HB3 LEU 14 - HD2 LYS 13 far 0 59 0 - 6.9-8.6 HB3 LYS 90 - HD2 LYS 24 far 0 62 0 - 6.9-10.3 HB3 LYS 90 - HD3 LYS 20 far 0 40 0 - 6.9-10.2 HB ILE 8 - HG12 ILE 15 far 0 46 0 - 7.1-8.1 HB3 LEU 14 - HD3 LYS 13 far 0 59 0 - 7.3-8.7 HB2 LYS 12 - HD2 LYS 20 far 0 73 0 - 7.7-9.3 HB2 LYS 20 - HD3 LYS 90 far 0 53 0 - 7.8-9.0 HB2 ARG 19 - HD3 LYS 24 far 0 72 0 - 7.8-12.5 HB2 ARG 19 - HD2 LYS 24 far 0 72 0 - 7.8-11.5 HB2 ARG 19 - HD3 LYS 12 far 0 84 0 - 7.9-12.5 HB3 LYS 90 - HD2 LYS 20 far 0 46 0 - 7.9-10.2 HB3 LEU 14 - HD3 LYS 90 far 0 37 0 - 8.0-11.0 HB2 ARG 19 - HG12 ILE 15 far 0 50 0 - 8.0-8.9 HB2 LYS 12 - HD3 LYS 20 far 0 65 0 - 8.1-10.2 HB2 ARG 19 - HD2 LYS 12 far 0 84 0 - 8.6-11.6 HB3 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.2-10.8 HB2 LYS 20 - HD2 LYS 13 far 0 81 0 - 9.3-14.4 HB3 LEU 14 - HD2 LYS 20 far 0 40 0 - 9.4-10.8 HB2 LYS 20 - HD3 LYS 13 far 0 81 0 - 9.5-13.6 HB3 LYS 12 - HD3 LYS 20 far 0 65 0 - 9.7-11.8 HB3 LEU 14 - HD3 LYS 20 far 0 35 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 452 from cnoeabs.peaks (1.45, 1.70, 29.09 ppm; 3.00 A increased from 2.83 A): 7 out of 42 assignments used, quality = 1.00: HG2 LYS 12 + HD2 LYS 12 OK 100 100 100 100 2.3-3.0 3.0=100 * HG2 LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 13 + HD2 LYS 13 OK 90 90 100 100 2.3-3.0 3.0=100 HG2 LYS 13 + HD3 LYS 13 OK 90 90 100 100 2.3-3.0 3.0=100 HG3 ARG 91 + HB3 ARG 91 OK 75 75 100 100 2.3-3.0 2.8=100 HG2 LYS 20 + HD2 LYS 20 OK 68 68 100 100 2.2-3.0 2.8=100 HG2 LYS 20 + HD3 LYS 20 OK 61 61 100 100 2.4-2.9 2.8=100 HG12 ILE 7 - HG12 ILE 15 far 0 56 0 - 5.0-5.8 HG2 LYS 20 - HD3 LYS 24 far 0 88 0 - 5.3-10.4 HG2 LYS 12 - HG12 ILE 15 far 0 68 0 - 5.7-6.4 QB ALA 22 - HD3 LYS 20 far 0 62 0 - 5.8-8.6 HG2 LYS 20 - HD2 LYS 24 far 0 88 0 - 5.9-9.0 QB ALA 22 - HD2 LYS 24 far 0 89 0 - 5.9-7.9 HG2 LYS 20 - HD3 LYS 90 far 0 63 0 - 6.0-10.5 QB ALA 22 - HD3 LYS 24 far 0 89 0 - 6.2-8.6 QB ALA 22 - HD2 LYS 20 far 0 70 0 - 6.8-8.7 HG2 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.9-8.9 HG2 LYS 12 - HD2 LYS 13 far 0 96 0 - 7.3-9.6 HG2 LYS 13 - HD2 LYS 12 far 0 96 0 - 7.4-9.5 HG2 LYS 12 - HD3 LYS 13 far 0 96 0 - 7.5-9.9 HG LEU 29 - HG12 ILE 15 far 0 65 0 - 7.6-9.0 HG13 ILE 76 - HD2 LYS 47 far 0 70 0 - 7.9-11.4 HG2 LYS 13 - HD2 LYS 20 far 0 66 0 - 7.9-10.6 HG2 LYS 20 - HD3 LYS 13 far 0 92 0 - 8.1-13.0 QB ALA 22 - HD3 LYS 90 far 0 64 0 - 8.3-9.6 HG3 ARG 91 - HD3 LYS 90 far 0 66 0 - 8.3-9.8 HG2 LYS 13 - HD3 LYS 20 far 0 59 0 - 8.5-12.2 QB ALA 22 - HG12 ILE 15 far 0 65 0 - 8.5-9.5 HG13 ILE 76 - HD3 LYS 47 far 0 72 0 - 8.7-11.2 HG13 ILE 52 - HD3 LYS 47 far 0 70 0 - 8.7-11.3 HG2 LYS 20 - HD2 LYS 13 far 0 92 0 - 8.7-13.4 HB2 LEU 27 - HD2 LYS 24 far 0 88 0 - 8.8-11.3 HG2 LYS 13 - HG12 ILE 15 far 0 61 0 - 8.9-10.6 HG2 LYS 12 - HD2 LYS 20 far 0 73 0 - 8.9-11.4 HG12 ILE 7 - HD3 LYS 90 far 0 55 0 - 9.0-11.4 HG2 LYS 12 - HD3 LYS 20 far 0 65 0 - 9.0-13.0 HG LEU 29 - HD3 LYS 20 far 0 62 0 - 9.3-12.8 HB2 LEU 27 - HD3 LYS 24 far 0 88 0 - 9.4-11.8 HG2 LYS 20 - HD2 LYS 12 far 0 98 0 - 9.4-13.7 HG2 LYS 13 - HD3 LYS 90 far 0 61 0 - 9.5-12.5 HG2 LYS 20 - HD3 LYS 12 far 0 98 0 - 9.7-14.1 HG2 LYS 20 - HG12 ILE 15 far 0 64 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 453 from cnoeabs.peaks (1.59, 1.70, 29.09 ppm; 2.72 A increased from 2.41 A): 7 out of 46 assignments used, quality = 1.00: * HG3 LYS 12 + HD3 LYS 12 OK 88 100 90 98 2.5-3.0 3.0=76, 464/3.0=30...(46) HG3 LYS 12 + HD2 LYS 12 OK 88 100 90 98 2.3-3.0 3.0=76, 464/3.0=30...(45) HG2 LYS 24 + HD3 LYS 24 OK 83 91 95 97 2.3-3.0 3.0=78, 1091/1.8=10...(55) HG2 LYS 24 + HD2 LYS 24 OK 70 90 80 97 2.3-3.0 3.0=78, 1091/1.8=10...(55) HG3 LYS 90 + HD3 LYS 90 OK 62 64 100 97 2.5-2.8 2.9=79, 2.8/3942=22...(26) HG3 LYS 47 + HD2 LYS 47 OK 50 51 100 98 2.4-2.7 3.0=76, 6773/6775=7...(88) HG3 LYS 47 + HD3 LYS 47 OK 44 53 85 98 2.4-3.0 3.0=76, 1.8/2164=12...(83) HG2 ARG 19 - HD3 LYS 20 far 0 63 0 - 4.4-9.2 HD3 LYS 94 - HB3 ARG 91 far 0 76 0 - 4.7-8.2 HG3 LYS 90 - HD3 LYS 20 far 0 62 0 - 5.0-8.2 HD2 LYS 94 - HD3 LYS 24 far 0 66 0 - 5.0-11.0 HG2 ARG 19 - HG12 ILE 15 far 0 65 0 - 5.2-7.2 HG2 ARG 19 - HD2 LYS 20 far 0 70 0 - 5.2-8.4 HD2 LYS 94 - HB3 ARG 91 far 0 52 0 - 5.5-9.1 HG2 ARG 19 - HD3 LYS 12 far 0 99 0 - 5.6-11.5 HG3 LYS 90 - HD2 LYS 20 far 0 70 0 - 5.8-8.1 HD2 LYS 94 - HD2 LYS 24 far 0 65 0 - 6.0-11.2 HD3 LYS 94 - HD3 LYS 24 far 0 92 0 - 6.0-12.8 HD3 LYS 94 - HD3 LYS 90 far 0 67 0 - 6.2-11.7 HG3 LYS 90 - HD3 LYS 24 far 0 89 0 - 6.2-9.4 HG2 ARG 19 - HD2 LYS 12 far 0 99 0 - 6.7-10.0 HG3 LYS 90 - HD2 LYS 24 far 0 89 0 - 6.7-10.1 HG3 LYS 12 - HD2 LYS 13 far 0 96 0 - 7.0-9.4 HG3 LYS 12 - HD3 LYS 13 far 0 96 0 - 7.0-9.7 HD3 LYS 94 - HD2 LYS 24 far 0 91 0 - 7.1-12.9 HG3 LYS 90 - HB3 ARG 91 far 0 74 0 - 7.2-7.5 HG2 LYS 24 - HD3 LYS 20 far 0 63 0 - 7.2-12.3 HD2 LYS 94 - HD3 LYS 90 far 0 44 0 - 7.3-11.7 HG3 LYS 12 - HG12 ILE 15 far 0 68 0 - 7.3-8.1 HB3 LEU 29 - HD3 LYS 20 far 0 65 0 - 7.9-11.2 HG2 LYS 24 - HD2 LYS 20 far 0 71 0 - 8.1-11.6 HG LEU 27 - HD2 LYS 24 far 0 91 0 - 8.8-11.0 HG2 ARG 19 - HD3 LYS 13 far 0 94 0 - 8.8-14.6 HG LEU 27 - HD3 LYS 24 far 0 92 0 - 8.8-11.1 HB2 ARG 30 - HG12 ILE 15 far 0 65 0 - 9.1-11.2 HB3 LEU 29 - HD2 LYS 20 far 0 73 0 - 9.1-10.9 HB3 LEU 29 - HD2 LYS 24 far 0 92 0 - 9.1-11.9 HB3 LEU 29 - HG12 ILE 15 far 0 68 0 - 9.4-10.8 HG2 ARG 19 - HD3 LYS 90 far 0 65 0 - 9.5-11.7 HG2 ARG 19 - HD2 LYS 13 far 0 94 0 - 9.5-15.1 HB3 LEU 29 - HD3 LYS 24 far 0 92 0 - 9.6-12.9 HG3 LYS 90 - HD2 LYS 13 far 0 94 0 - 9.6-13.1 HG2 ARG 19 - HD2 LYS 24 far 0 90 0 - 9.7-13.2 HG2 ARG 19 - HD3 LYS 24 far 0 90 0 - 9.7-14.3 HG3 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.8-11.8 HG3 LYS 90 - HD3 LYS 13 far 0 93 0 - 9.9-12.9 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): 7 out of 29 assignments used, quality = 1.00: * HE2 LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 12 + HD2 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 2.3-3.0 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 2.3-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 44 44 100 100 2.3-3.0 3.0=100 HB2 SER 9 + HG12 ILE 15 OK 25 61 45 92 3.1-4.6 8320=31, 8444/1.8=27...(18) HB3 ASP 11 - HD2 LYS 13 far 0 92 0 - 4.4-7.2 HE2 LYS 12 - HG12 ILE 15 far 0 68 0 - 4.5-8.3 HB3 ASP 11 - HG12 ILE 15 far 0 63 0 - 4.6-7.1 HE3 LYS 33 - HG12 ILE 15 far 0 63 0 - 5.6-8.5 HB3 ASP 11 - HD3 LYS 12 far 0 98 0 - 5.6-8.1 HB3 ASP 11 - HD3 LYS 13 far 0 92 0 - 5.6-7.5 HB3 ASP 11 - HD2 LYS 12 far 0 98 0 - 5.6-8.7 HE2 LYS 33 - HG12 ILE 15 far 0 63 0 - 5.7-7.9 HE2 LYS 33 - HD2 LYS 12 far 0 98 0 - 5.8-9.6 HE3 LYS 33 - HD2 LYS 12 far 0 98 0 - 6.1-10.4 HB2 SER 9 - HD2 LYS 12 far 0 96 0 - 6.1-11.1 HB2 SER 9 - HD3 LYS 12 far 0 96 0 - 6.2-9.5 HE2 LYS 33 - HD3 LYS 12 far 0 98 0 - 6.5-8.4 HE3 LYS 33 - HD3 LYS 12 far 0 98 0 - 6.6-9.3 HB2 PHE 45 - HD3 LYS 47 far 0 58 0 - 7.2-8.6 HE2 LYS 12 - HD2 LYS 13 far 0 96 0 - 7.6-11.5 HB2 PHE 45 - HD2 LYS 47 far 0 56 0 - 7.8-9.3 HE2 LYS 12 - HD3 LYS 13 far 0 96 0 - 8.4-11.8 HB2 SER 9 - HD2 LYS 13 far 0 89 0 - 9.5-12.2 HB3 ASP 11 - HD3 LYS 90 far 0 62 0 - 9.7-13.1 HE2 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.9-12.6 HE2 LYS 12 - HD3 LYS 20 far 0 65 0 - 10.0-14.1 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 2.3-3.0 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 2.5-3.0 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 2.3-3.0 2.9=100 HE3 LYS 13 + HD3 LYS 13 OK 95 95 100 100 2.5-3.0 2.9=100 HE2 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.3-3.0 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 2.3-3.0 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 2.3-3.0 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 2.3-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 70 70 100 100 2.3-3.0 3.0=100 HE3 LYS 90 + HD3 LYS 90 OK 46 46 100 100 2.2-3.0 3.0=100 HB2 SER 9 - HG12 ILE 15 far 8 50 15 - 3.1-4.6 HG2 MET 21 - HD3 LYS 90 far 0 51 0 - 4.2-5.4 HB3 ASP 11 - HD2 LYS 13 far 0 72 0 - 4.4-7.2 HE3 LYS 90 - HD3 LYS 20 far 0 44 0 - 4.4-8.4 HB3 ASP 11 - HG12 ILE 15 far 0 46 0 - 4.6-7.1 HE3 LYS 12 - HG12 ILE 15 far 0 68 0 - 4.6-8.2 HG2 MET 21 - HD3 LYS 24 far 0 74 0 - 5.1-8.0 HG2 MET 21 - HD2 LYS 24 far 0 73 0 - 5.5-8.4 HE3 LYS 90 - HD2 LYS 20 far 0 50 0 - 5.6-8.5 HB3 ASP 11 - HD3 LYS 12 far 0 79 0 - 5.6-8.1 HB3 ASP 11 - HD3 LYS 13 far 0 72 0 - 5.6-7.5 HB3 ASP 11 - HD2 LYS 12 far 0 79 0 - 5.6-8.7 HE3 LYS 24 - HD3 LYS 20 far 0 65 0 - 5.8-12.5 HB2 ASN 10 - HD2 LYS 12 far 0 63 0 - 5.9-11.0 HG2 MET 21 - HD3 LYS 20 far 0 49 0 - 6.0-9.1 HE2 LYS 24 - HD3 LYS 20 far 0 65 0 - 6.1-12.3 HB2 SER 9 - HD2 LYS 12 far 0 84 0 - 6.1-11.1 HB2 SER 9 - HD3 LYS 12 far 0 84 0 - 6.2-9.5 HB2 ASN 10 - HD3 LYS 12 far 0 63 0 - 6.4-10.1 HE3 LYS 13 - HD3 LYS 12 far 0 100 0 - 6.5-10.7 HE2 LYS 13 - HD2 LYS 20 far 0 72 0 - 6.5-12.1 HG2 MET 21 - HB3 ARG 91 far 0 59 0 - 6.9-7.5 HE3 LYS 24 - HD2 LYS 20 far 0 72 0 - 6.9-12.0 HG2 MET 21 - HD2 LYS 20 far 0 55 0 - 6.9-9.4 HE3 LYS 90 - HD2 LYS 24 far 0 67 0 - 7.1-11.6 HB2 ASN 10 - HG12 ILE 15 far 0 36 0 - 7.1-8.1 HE3 LYS 13 - HD2 LYS 12 far 0 100 0 - 7.1-11.2 HB2 PHE 45 - HD3 LYS 47 far 0 65 0 - 7.2-8.6 HE2 LYS 13 - HD2 LYS 12 far 0 100 0 - 7.2-12.0 HE3 LYS 90 - HD3 LYS 24 far 0 67 0 - 7.3-10.7 HE3 LYS 12 - HD3 LYS 13 far 0 96 0 - 7.3-11.8 HB3 PHE 45 - HD3 LYS 47 far 0 74 0 - 7.3-9.1 HE3 LYS 90 - HB3 ARG 91 far 0 53 0 - 7.4-8.9 HE3 LYS 13 - HD3 LYS 90 far 0 66 0 - 7.4-13.8 HE2 LYS 13 - HD3 LYS 12 far 0 100 0 - 7.5-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 72 0 - 7.5-11.7 HE2 LYS 13 - HD3 LYS 20 far 0 64 0 - 7.5-13.3 HE3 LYS 13 - HD2 LYS 20 far 0 71 0 - 7.5-11.8 HE3 LYS 13 - HD3 LYS 20 far 0 64 0 - 7.6-13.1 HE3 LYS 12 - HD2 LYS 13 far 0 96 0 - 7.7-11.9 HE3 LYS 90 - HD2 LYS 13 far 0 72 0 - 7.7-13.0 HB2 PHE 45 - HD2 LYS 47 far 0 63 0 - 7.8-9.3 HE3 LYS 90 - HD3 LYS 13 far 0 72 0 - 8.0-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 73 0 - 8.1-13.3 HB3 PHE 45 - HD2 LYS 47 far 0 72 0 - 8.2-9.6 HE3 LYS 12 - HD3 LYS 20 far 0 65 0 - 8.2-14.3 HE2 LYS 13 - HD3 LYS 90 far 0 66 0 - 8.4-13.0 HE3 LYS 24 - HD3 LYS 90 far 0 67 0 - 8.9-13.3 HB2 SER 9 - HD2 LYS 13 far 0 77 0 - 9.5-12.2 HE2 LYS 24 - HD3 LYS 90 far 0 67 0 - 9.6-13.5 HE3 LYS 13 - HG12 ILE 15 far 0 66 0 - 9.7-12.9 HB3 ASP 11 - HD3 LYS 90 far 0 46 0 - 9.7-13.1 HB2 ASN 10 - HD2 LYS 13 far 0 57 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 458 from cnoeabs.peaks (8.07, 1.70, 29.09 ppm; 3.53 A): 3 out of 33 assignments used, quality = 0.79: H ILE 15 + HG12 ILE 15 OK 51 68 75 100 2.2-4.0 6217/2.9=67, 677/2.1=64...(17) H LYS 90 + HD3 LYS 90 OK 43 46 95 99 3.2-4.1 7422=47, 7419/2.9=41...(19) H GLU 17 + HD2 LYS 20 OK 27 68 55 71 3.4-5.0 6250/12058=41, 3.6/850=9...(19) H LYS 13 - HD2 LYS 13 far 5 96 5 - 3.6-5.2 H LYS 13 - HD3 LYS 13 far 0 96 0 - 4.0-5.2 H GLU 17 - HD3 LYS 20 far 0 61 0 - 4.1-6.1 ! H LYS 13 - HD3 LYS 12 far 0 100 0 - 4.5-5.6 H LYS 13 - HD2 LYS 12 far 0 100 0 - 4.7-6.6 H LYS 90 - HB3 ARG 91 far 0 53 0 - 4.8-5.0 H ILE 15 - HD3 LYS 12 far 0 100 0 - 5.0-6.8 H GLU 17 - HD3 LYS 13 far 0 92 0 - 5.1-8.3 H GLU 17 - HD2 LYS 13 far 0 92 0 - 5.2-8.5 H GLU 17 - HD3 LYS 90 far 0 63 0 - 5.3-7.9 H ILE 15 - HD2 LYS 12 far 0 100 0 - 5.3-7.0 H LYS 13 - HG12 ILE 15 far 0 68 0 - 5.5-7.2 H GLU 17 - HG12 ILE 15 far 0 64 0 - 6.2-7.3 H ILE 15 - HD2 LYS 13 far 0 96 0 - 6.3-8.2 H ILE 15 - HD3 LYS 13 far 0 96 0 - 6.4-8.1 H GLU 17 - HD3 LYS 12 far 0 98 0 - 7.0-10.0 H ILE 15 - HD2 LYS 20 far 0 73 0 - 7.4-8.6 H GLU 17 - HD2 LYS 12 far 0 98 0 - 7.5-9.9 H LYS 90 - HD3 LYS 20 far 0 44 0 - 8.0-10.9 H ILE 15 - HD3 LYS 90 far 0 67 0 - 8.0-11.0 H ILE 15 - HD3 LYS 20 far 0 65 0 - 8.2-10.0 H LYS 90 - HD2 LYS 20 far 0 50 0 - 8.5-10.9 H LYS 13 - HD2 LYS 20 far 0 73 0 - 8.6-9.8 H LYS 13 - HD3 LYS 20 far 0 65 0 - 9.2-11.1 H LYS 90 - HD3 LYS 24 far 0 67 0 - 9.4-12.5 H LYS 90 - HG12 ILE 15 far 0 46 0 - 9.8-11.3 H GLU 17 - HD2 LYS 24 far 0 88 0 - 9.9-12.4 H GLU 17 - HD3 LYS 24 far 0 88 0 - 9.9-13.5 H LYS 13 - HD3 LYS 90 far 0 67 0 - 9.9-12.7 H LYS 90 - HD2 LYS 24 far 0 67 0 - 10.0-13.0 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 3 assignments used, quality = 1.00: * HA LYS 12 + HE2 LYS 12 OK 100 100 100 100 2.6-4.9 384/463=83, 3.7/464=77...(30) HA LYS 12 - HE3 LYS 33 far 0 95 0 - 6.7-10.2 HA LYS 12 - HE2 LYS 33 far 0 95 0 - 6.8-9.0 Violated in 0 structures by 0.00 A. Peak 461 from cnoeabs.peaks (1.86, 3.01, 41.80 ppm; 4.87 A increased from 4.58 A): 2 out of 12 assignments used, quality = 1.00: HB3 LYS 12 + HE2 LYS 12 OK 100 100 100 100 2.0-5.0 4.8=100 * HB2 LYS 12 + HE2 LYS 12 OK 100 100 100 100 3.6-5.0 4.8=100 HB3 LEU 14 - HE2 LYS 12 far 0 61 0 - 7.4-10.2 HB2 LYS 12 - HE2 LYS 33 far 0 95 0 - 8.3-10.6 HB ILE 8 - HE2 LYS 33 far 0 66 0 - 8.5-11.5 HB3 LYS 12 - HE2 LYS 33 far 0 94 0 - 8.5-11.1 HB3 LYS 12 - HE3 LYS 33 far 0 94 0 - 8.6-12.0 HB2 LYS 12 - HE3 LYS 33 far 0 95 0 - 8.8-11.8 HB2 ARG 19 - HE2 LYS 12 far 0 81 0 - 8.8-12.7 HB ILE 8 - HE3 LYS 33 far 0 66 0 - 9.2-11.8 HB3 LEU 14 - HE2 LYS 33 far 0 54 0 - 9.5-12.1 HB3 LEU 14 - HE3 LYS 33 far 0 54 0 - 9.5-13.1 Violated in 0 structures by 0.00 A. Peak 462 from cnoeabs.peaks (1.87, 3.01, 41.80 ppm; 4.87 A increased from 4.58 A): 2 out of 12 assignments used, quality = 1.00: * HB3 LYS 12 + HE2 LYS 12 OK 100 100 100 100 2.0-5.0 4.8=100 HB2 LYS 12 + HE2 LYS 12 OK 100 100 100 100 3.6-5.0 4.8=100 HB3 LEU 14 - HE2 LYS 12 far 0 65 0 - 7.4-10.2 HB2 LYS 12 - HE2 LYS 33 far 0 94 0 - 8.3-10.6 HB ILE 8 - HE2 LYS 33 far 0 70 0 - 8.5-11.5 HB3 LYS 12 - HE2 LYS 33 far 0 95 0 - 8.5-11.1 HB3 LYS 12 - HE3 LYS 33 far 0 95 0 - 8.6-12.0 HB2 LYS 12 - HE3 LYS 33 far 0 94 0 - 8.8-11.8 HB2 ARG 19 - HE2 LYS 12 far 0 84 0 - 8.8-12.7 HB ILE 8 - HE3 LYS 33 far 0 70 0 - 9.2-11.8 HB3 LEU 14 - HE2 LYS 33 far 0 57 0 - 9.5-12.1 HB3 LEU 14 - HE3 LYS 33 far 0 57 0 - 9.5-13.1 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 10 assignments used, quality = 1.00: * HG2 LYS 12 + HE2 LYS 12 OK 100 100 100 100 2.2-3.7 423=79, 1.8/464=73...(79) HG2 LYS 12 - HE2 LYS 33 far 0 95 0 - 5.8-8.6 HG2 LYS 12 - HE3 LYS 33 far 0 95 0 - 6.0-9.5 HG2 LYS 13 - HE2 LYS 12 far 0 96 0 - 6.8-10.5 HD3 LYS 40 - HE3 LYS 33 far 0 83 0 - 8.7-12.4 HD3 LYS 40 - HE2 LYS 33 far 0 83 0 - 9.1-13.1 HD2 LYS 40 - HE3 LYS 33 far 0 84 0 - 9.3-12.3 HD2 LYS 40 - HE2 LYS 33 far 0 84 0 - 9.4-13.2 HG12 ILE 7 - HE2 LYS 12 far 0 91 0 - 9.9-13.6 HG12 ILE 7 - HE3 LYS 33 far 0 82 0 - 10.0-12.6 Violated in 2 structures by 0.00 A. Peak 464 from cnoeabs.peaks (1.59, 3.01, 41.80 ppm; 3.66 A): 1 out of 8 assignments used, quality = 1.00: * HG3 LYS 12 + HE2 LYS 12 OK 100 100 100 100 2.2-3.5 4.0=79, 1.8/463=74...(44) HG2 ARG 19 - HE2 LYS 12 far 0 99 0 - 6.4-11.5 HG3 LYS 12 - HE2 LYS 33 far 0 95 0 - 7.1-9.7 HG3 LYS 12 - HE3 LYS 33 far 0 95 0 - 7.5-10.6 HB2 ARG 30 - HE2 LYS 33 far 0 92 0 - 8.3-10.6 HB2 ARG 30 - HE3 LYS 33 far 0 92 0 - 8.5-10.4 HG2 ARG 19 - HE2 LYS 33 far 0 92 0 - 9.0-11.0 HG2 ARG 19 - HE3 LYS 33 far 0 92 0 - 9.1-11.3 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 23 assignments used, quality = 1.00: HD3 LYS 12 + HE2 LYS 12 OK 97 100 100 97 2.3-3.0 3.0=85, 3.0/463=33...(44) * HD2 LYS 12 + HE2 LYS 12 OK 97 100 100 97 2.4-3.0 3.0=85, 3.0/463=33...(44) HD2 LYS 33 + HE3 LYS 33 OK 74 78 100 95 2.3-3.0 3.0=87, 1483/3.9=19...(20) HD2 LYS 33 + HE2 LYS 33 OK 74 78 100 95 2.4-3.0 3.0=87, 1472/3.9=19...(20) HD3 LYS 33 + HE3 LYS 33 OK 73 78 100 94 2.4-3.0 3.0=87, 1473/3.9=11...(20) HD3 LYS 33 + HE2 LYS 33 OK 73 78 100 94 2.3-3.0 3.0=87, 1473/3.9=11...(20) HB ILE 15 - HE2 LYS 12 far 0 79 0 - 3.3-6.8 HG12 ILE 15 - HE2 LYS 12 far 0 100 0 - 4.5-8.3 HD3 LYS 33 - HE2 LYS 12 far 0 87 0 - 5.1-9.0 HG12 ILE 15 - HE3 LYS 33 far 0 93 0 - 5.6-8.5 HG12 ILE 15 - HE2 LYS 33 far 0 93 0 - 5.7-7.9 HD2 LYS 12 - HE2 LYS 33 far 0 95 0 - 5.8-9.6 HD2 LYS 12 - HE3 LYS 33 far 0 95 0 - 6.1-10.4 HD2 LYS 33 - HE2 LYS 12 far 0 87 0 - 6.1-10.1 HD3 LYS 12 - HE2 LYS 33 far 0 95 0 - 6.5-8.4 HD3 LYS 12 - HE3 LYS 33 far 0 95 0 - 6.6-9.3 HB ILE 15 - HE3 LYS 33 far 0 70 0 - 6.8-10.0 HB ILE 15 - HE2 LYS 33 far 0 70 0 - 7.0-8.7 HD2 LYS 13 - HE2 LYS 12 far 0 100 0 - 7.6-11.5 HD3 LYS 13 - HE2 LYS 12 far 0 100 0 - 8.4-11.8 HD2 LYS 20 - HE2 LYS 12 far 0 88 0 - 9.9-12.6 HD3 LYS 20 - HE2 LYS 12 far 0 84 0 - 10.0-14.1 HG3 LYS 20 - HE2 LYS 12 far 0 84 0 - 10.0-15.5 Violated in 0 structures by 0.00 A. Peak 466 from cnoeabs.peaks (1.70, 3.01, 41.80 ppm; 2.82 A): 6 out of 23 assignments used, quality = 1.00: * HD3 LYS 12 + HE2 LYS 12 OK 97 100 100 97 2.3-3.0 3.0=85, 3.0/463=33...(44) HD2 LYS 12 + HE2 LYS 12 OK 97 100 100 97 2.4-3.0 3.0=85, 3.0/463=33...(44) HD2 LYS 33 + HE3 LYS 33 OK 74 78 100 95 2.3-3.0 3.0=87, 1483/3.9=19...(20) HD2 LYS 33 + HE2 LYS 33 OK 74 78 100 95 2.4-3.0 3.0=87, 1472/3.9=19...(20) HD3 LYS 33 + HE3 LYS 33 OK 73 78 100 94 2.4-3.0 3.0=87, 1473/3.9=11...(20) HD3 LYS 33 + HE2 LYS 33 OK 73 78 100 94 2.3-3.0 3.0=87, 1473/3.9=11...(20) HB ILE 15 - HE2 LYS 12 far 0 79 0 - 3.3-6.8 HG12 ILE 15 - HE2 LYS 12 far 0 100 0 - 4.5-8.3 HD3 LYS 33 - HE2 LYS 12 far 0 87 0 - 5.1-9.0 HG12 ILE 15 - HE3 LYS 33 far 0 93 0 - 5.6-8.5 HG12 ILE 15 - HE2 LYS 33 far 0 93 0 - 5.7-7.9 HD2 LYS 12 - HE2 LYS 33 far 0 95 0 - 5.8-9.6 HD2 LYS 12 - HE3 LYS 33 far 0 95 0 - 6.1-10.4 HD2 LYS 33 - HE2 LYS 12 far 0 87 0 - 6.1-10.1 HD3 LYS 12 - HE2 LYS 33 far 0 95 0 - 6.5-8.4 HD3 LYS 12 - HE3 LYS 33 far 0 95 0 - 6.6-9.3 HB ILE 15 - HE3 LYS 33 far 0 70 0 - 6.8-10.0 HB ILE 15 - HE2 LYS 33 far 0 70 0 - 7.0-8.7 HD2 LYS 13 - HE2 LYS 12 far 0 100 0 - 7.6-11.5 HD3 LYS 13 - HE2 LYS 12 far 0 100 0 - 8.4-11.8 HD2 LYS 20 - HE2 LYS 12 far 0 88 0 - 9.9-12.6 HD3 LYS 20 - HE2 LYS 12 far 0 84 0 - 10.0-14.1 HG3 LYS 20 - HE2 LYS 12 far 0 84 0 - 10.0-15.5 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 HE3 LYS 12 - HE2 LYS 33 far 0 95 0 - 4.8-8.5 HE3 LYS 12 - HE3 LYS 33 far 0 95 0 - 5.3-9.5 HB3 ASP 11 - HE2 LYS 12 far 0 79 0 - 5.4-9.7 HB2 ASN 10 - HE2 LYS 33 far 0 55 0 - 6.7-10.1 HB2 SER 9 - HE2 LYS 33 far 0 75 0 - 6.8-10.2 HB2 SER 9 - HE2 LYS 12 far 0 84 0 - 6.8-11.2 HB2 SER 9 - HE3 LYS 33 far 0 75 0 - 6.9-11.3 HB2 ASN 10 - HE2 LYS 12 far 0 63 0 - 7.1-10.1 HB2 ASN 10 - HE3 LYS 33 far 0 55 0 - 7.7-10.8 HE3 LYS 13 - HE2 LYS 12 far 0 100 0 - 8.4-12.3 HE2 LYS 13 - HE2 LYS 12 far 0 100 0 - 9.2-12.5 HB3 ASP 11 - HE2 LYS 33 far 0 70 0 - 9.5-12.3 HB3 ASP 11 - HE3 LYS 33 far 0 70 0 - 9.6-13.5 Violated in 0 structures by 0.00 A. Peak 472 from cnoeabs.peaks (1.86, 2.96, 41.80 ppm; 4.40 A increased from 3.91 A): 3 out of 30 assignments used, quality = 0.89: * HB2 LYS 12 + HE3 LYS 12 OK 65 100 65 100 3.1-5.5 4.8=76, ~463=51, ~423=48...(61) HB3 LYS 12 + HE3 LYS 12 OK 50 100 50 100 2.1-5.5 4.8=76, ~463=51, ~423=48...(61) HB3 LYS 90 + HE3 LYS 90 OK 39 39 100 100 2.6-4.6 4.8=75, ~3981=53...(25) HB2 LYS 20 - HE2 LYS 24 far 13 85 15 - 3.7-9.3 HB2 LYS 12 - HE3 LYS 13 far 5 99 5 - 4.0-8.2 HB3 LYS 12 - HE3 LYS 13 far 5 99 5 - 4.1-7.9 HB2 LYS 20 - HE3 LYS 24 lone 0 85 30 1 3.9-10.0 HB2 LYS 12 - HE2 LYS 13 far 0 100 0 - 5.2-8.6 HB3 LYS 12 - HE2 LYS 13 far 0 100 0 - 5.5-8.2 HB3 LYS 39 - HE2 LYS 73 far 0 93 0 - 5.8-12.9 HG2 ARG 46 - HE3 LYS 47 far 0 56 0 - 6.0-10.1 HB3 LYS 39 - HE3 LYS 73 far 0 85 0 - 6.2-13.3 HB3 LYS 90 - HE3 LYS 24 far 0 77 0 - 6.5-10.9 HB2 LYS 20 - HE3 LYS 90 far 0 45 0 - 6.5-7.8 HB3 LYS 90 - HE2 LYS 24 far 0 77 0 - 6.6-11.3 HG2 ARG 46 - HE2 LYS 47 far 0 56 0 - 6.9-10.9 HB3 LEU 14 - HE3 LYS 12 far 0 61 0 - 6.9-10.2 HB3 LEU 14 - HE3 LYS 13 far 0 59 0 - 7.3-9.7 HB3 LEU 14 - HE2 LYS 13 far 0 60 0 - 7.6-9.8 HB2 ARG 19 - HE3 LYS 12 far 0 81 0 - 7.6-13.0 HB2 ARG 19 - HE3 LYS 24 far 0 80 0 - 7.7-13.6 HB3 LYS 66 - HE2 LYS 73 far 0 93 0 - 8.4-12.9 HB3 LYS 66 - HE3 LYS 73 far 0 85 0 - 8.6-12.8 HG LEU 42 - HE3 LYS 73 far 0 56 0 - 8.9-13.9 HB2 ARG 19 - HE2 LYS 24 far 0 80 0 - 9.0-13.8 HB2 LYS 68 - HE3 LYS 73 far 0 65 0 - 9.1-12.6 HB3 LEU 14 - HE3 LYS 90 far 0 30 0 - 9.3-11.1 HB2 LYS 68 - HE2 LYS 73 far 0 73 0 - 9.5-12.9 HG2 ARG 46 - HE3 LYS 73 far 0 44 0 - 9.8-15.6 HG LEU 42 - HE2 LYS 73 far 0 63 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 473 from cnoeabs.peaks (1.87, 2.96, 41.80 ppm; 4.40 A increased from 3.91 A): 3 out of 29 assignments used, quality = 0.89: HB2 LYS 12 + HE3 LYS 12 OK 65 100 65 100 3.1-5.5 4.8=76, ~463=51, ~423=48...(61) * HB3 LYS 12 + HE3 LYS 12 OK 50 100 50 100 2.1-5.5 4.8=76, ~463=51, ~423=48...(61) HB3 LYS 90 + HE3 LYS 90 OK 37 37 100 100 2.6-4.6 4.8=75, ~3981=53...(25) HB2 LYS 20 - HE2 LYS 24 far 13 88 15 - 3.7-9.3 HB3 LYS 12 - HE3 LYS 13 far 5 99 5 - 4.1-7.9 HB2 LYS 12 - HE3 LYS 13 far 5 99 5 - 4.0-8.2 HB2 GLU 43 - HE2 LYS 47 far 3 54 5 - 4.7-8.5 HB2 LYS 20 - HE3 LYS 24 lone 0 88 30 1 3.9-10.0 HB2 LYS 12 - HE2 LYS 13 far 0 100 0 - 5.2-8.6 HB3 LYS 12 - HE2 LYS 13 far 0 100 0 - 5.5-8.2 HB2 GLU 43 - HE3 LYS 47 far 0 54 0 - 5.8-8.2 HB3 LYS 39 - HE2 LYS 73 far 0 93 0 - 5.8-12.9 HB3 LYS 39 - HE3 LYS 73 far 0 84 0 - 6.2-13.3 HB3 LYS 90 - HE3 LYS 24 far 0 73 0 - 6.5-10.9 HB2 LYS 20 - HE3 LYS 90 far 0 47 0 - 6.5-7.8 HB3 LYS 90 - HE2 LYS 24 far 0 73 0 - 6.6-11.3 HB3 LEU 14 - HE3 LYS 12 far 0 65 0 - 6.9-10.2 HB3 LEU 14 - HE3 LYS 13 far 0 63 0 - 7.3-9.7 HB3 LEU 14 - HE2 LYS 13 far 0 64 0 - 7.6-9.8 HB2 ARG 19 - HE3 LYS 12 far 0 84 0 - 7.6-13.0 HB2 ARG 19 - HE3 LYS 24 far 0 83 0 - 7.7-13.6 HB3 LYS 66 - HE2 LYS 73 far 0 93 0 - 8.4-12.9 HB3 LYS 66 - HE3 LYS 73 far 0 84 0 - 8.6-12.8 HG LEU 42 - HE3 LYS 73 far 0 59 0 - 8.9-13.9 HB2 ARG 19 - HE2 LYS 24 far 0 83 0 - 9.0-13.8 HB2 LYS 68 - HE3 LYS 73 far 0 62 0 - 9.1-12.6 HB3 LEU 14 - HE3 LYS 90 far 0 32 0 - 9.3-11.1 HB2 LYS 68 - HE2 LYS 73 far 0 70 0 - 9.5-12.9 HG LEU 42 - HE2 LYS 73 far 0 67 0 - 10.0-14.1 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 31 assignments used, quality = 1.00: HG2 LYS 13 + HE3 LYS 13 OK 94 94 100 100 2.2-3.8 3.8=79, 518/6.0=18...(90) HG2 LYS 13 + HE2 LYS 13 OK 85 95 90 100 2.2-4.1 3.8=79, 518/6.0=18...(91) * HG2 LYS 12 + HE3 LYS 12 OK 85 100 85 100 2.3-4.2 4.0=71, 423/1.8=61...(47) HG3 LYS 39 - HE3 LYS 73 far 4 84 5 - 3.6-12.5 HG3 LYS 39 - HE2 LYS 73 far 0 93 0 - 5.0-12.9 HG2 LYS 20 - HE3 LYS 24 far 0 98 0 - 5.3-10.7 HG2 LYS 20 - HE3 LYS 90 far 0 56 0 - 5.5-9.1 HG2 LYS 20 - HE2 LYS 24 far 0 98 0 - 5.8-10.7 QB ALA 22 - HE3 LYS 24 far 0 99 0 - 5.8-9.8 HG2 LYS 12 - HE3 LYS 13 far 0 99 0 - 6.4-10.4 HG2 LYS 13 - HE3 LYS 12 far 0 96 0 - 6.8-11.0 QB ALA 71 - HE3 LYS 73 far 0 51 0 - 7.0-9.6 QB ALA 71 - HE2 LYS 73 far 0 58 0 - 7.1-9.5 QB ALA 22 - HE2 LYS 24 far 0 99 0 - 7.3-9.9 HG2 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.5-10.8 HB2 LEU 27 - HE3 LYS 24 far 0 98 0 - 8.5-12.9 HB2 LEU 38 - HE2 LYS 73 far 0 91 0 - 8.6-14.9 QB ALA 22 - HE3 LYS 90 far 0 57 0 - 8.7-9.3 HG13 ILE 76 - HE3 LYS 47 far 0 96 0 - 8.7-12.7 HG13 ILE 76 - HE3 LYS 73 far 0 82 0 - 8.9-13.3 HG13 ILE 52 - HE2 LYS 47 far 0 95 0 - 8.9-12.3 HB2 LEU 38 - HE3 LYS 73 far 0 82 0 - 8.9-14.7 HG2 LYS 20 - HE2 LYS 13 far 0 97 0 - 9.0-14.4 HG13 ILE 52 - HE3 LYS 47 far 0 95 0 - 9.0-12.3 HG3 ARG 91 - HE3 LYS 90 far 0 59 0 - 9.1-11.0 HG LEU 38 - HE3 LYS 73 far 0 79 0 - 9.5-14.2 HG12 ILE 7 - HE3 LYS 12 far 0 91 0 - 9.5-13.5 HG2 LYS 13 - HE3 LYS 90 far 0 54 0 - 9.6-12.1 HG2 LYS 20 - HE3 LYS 13 far 0 96 0 - 9.7-14.3 HG2 LYS 20 - HE3 LYS 12 far 0 98 0 - 9.8-15.0 HG LEU 38 - HE2 LYS 73 far 0 88 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 475 from cnoeabs.peaks (1.59, 2.96, 41.80 ppm; 2.96 A): 7 out of 28 assignments used, quality = 0.98: HG2 LYS 24 + HE2 LYS 24 OK 61 99 65 94 2.3-3.8 3.7=50, 1121/3.0=11...(78) HG2 LYS 24 + HE3 LYS 24 OK 51 99 55 94 2.1-3.9 3.7=50, 1121/3.0=11...(76) HG3 LYS 90 + HE3 LYS 90 OK 49 57 100 85 2.2-2.9 3.8=48, 1.8/4005=16...(15) HG3 LYS 47 + HE3 LYS 47 OK 48 76 65 97 2.2-4.2 3.8=48, 3.0/2154=14...(73) * HG3 LYS 12 + HE3 LYS 12 OK 46 100 50 92 2.2-3.9 4.0=42, ~463=31, ~423=28...(29) HG3 LYS 73 + HE3 LYS 73 OK 24 84 30 95 2.1-4.2 4.0=40, 3298/3.0=20...(77) HG3 LYS 73 + HE2 LYS 73 OK 22 93 25 95 2.1-4.2 4.0=40, 3298/3.0=20...(75) HG3 LYS 47 - HE2 LYS 47 poor 19 76 25 - 2.5-3.9 HG2 ARG 19 - HE3 LYS 12 far 0 99 0 - 5.2-12.1 HD2 LYS 94 - HE3 LYS 90 far 0 39 0 - 5.8-11.6 HD2 LYS 94 - HE2 LYS 24 far 0 77 0 - 5.9-11.9 HG3 LYS 12 - HE3 LYS 13 far 0 99 0 - 6.0-10.1 HG3 LYS 90 - HE3 LYS 24 far 0 99 0 - 6.3-10.6 HD2 LYS 94 - HE3 LYS 24 far 0 77 0 - 6.5-12.2 HD3 LYS 94 - HE3 LYS 90 far 0 60 0 - 6.8-11.7 HG3 LYS 90 - HE2 LYS 24 far 0 99 0 - 7.0-10.9 HD2 LYS 66 - HE3 LYS 73 far 0 83 0 - 7.1-11.8 HD2 LYS 66 - HE2 LYS 73 far 0 92 0 - 7.2-11.5 HG3 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.3-10.3 HD3 LYS 94 - HE2 LYS 24 far 0 100 0 - 7.4-13.6 HD3 LYS 94 - HE3 LYS 24 far 0 100 0 - 7.5-13.8 HB3 LEU 29 - HE3 LYS 24 far 0 100 0 - 8.9-14.2 HG LEU 27 - HE3 LYS 24 far 0 100 0 - 9.0-12.2 HG2 LYS 24 - HE3 LYS 90 far 0 58 0 - 9.0-11.8 HG3 LYS 90 - HE3 LYS 13 far 0 97 0 - 9.3-14.3 HG2 ARG 19 - HE3 LYS 90 far 0 58 0 - 9.3-11.7 HG2 ARG 19 - HE3 LYS 24 far 0 99 0 - 9.7-15.6 HG LEU 27 - HE2 LYS 24 far 0 100 0 - 9.9-12.2 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 78 assignments used, quality = 1.00: HD3 LYS 13 + HE2 LYS 13 OK 73 100 85 86 2.3-3.0 2.9=60, 3.0/474=8...(41) HD2 LYS 24 + HE3 LYS 24 OK 70 100 85 83 2.3-3.0 3.0=59, 559/1.8=4...(41) HD3 LYS 47 + HE2 LYS 47 OK 68 89 90 85 2.3-3.0 3.0=59, 3.9/2154=7...(48) * HD2 LYS 12 + HE3 LYS 12 OK 60 100 75 80 2.3-3.0 3.0=58, ~463=13, ~423=12...(17) HD2 LYS 13 + HE3 LYS 13 OK 56 99 65 87 2.3-3.0 2.9=60, 3.0/474=9...(41) HD3 LYS 12 + HE3 LYS 12 OK 52 100 65 81 2.3-3.0 3.0=58, ~463=13, ~423=12...(18) HD3 LYS 24 + HE2 LYS 24 OK 50 100 60 83 2.3-3.0 3.0=59, 1121/3.7=5...(41) HD2 LYS 47 + HE3 LYS 47 OK 48 88 65 84 2.3-3.0 3.0=59, 3.9/2154=7...(49) HD3 LYS 24 + HE3 LYS 24 OK 46 100 55 83 2.4-3.0 3.0=59, 1121/3.7=5...(41) HD2 LYS 24 + HE2 LYS 24 OK 45 100 55 83 2.4-3.0 3.0=59, 3.0/1092=4...(41) HD2 LYS 13 + HE2 LYS 13 OK 43 100 50 87 2.5-3.0 2.9=60, 3.0/474=8...(41) HD3 LYS 13 + HE3 LYS 13 OK 43 99 50 87 2.5-3.0 2.9=60, 3.0/474=9...(41) HD3 LYS 90 + HE3 LYS 90 OK 42 60 90 79 2.2-3.0 3.0=59, 3981/4.8=13...(12) HD2 LYS 47 + HE2 LYS 47 OK 37 88 50 85 2.3-3.0 3.0=59, 3.9/2155=7...(49) HD3 LYS 47 + HE3 LYS 47 OK 34 89 45 85 2.3-3.0 3.0=59, 3.9/2154=7...(47) HD3 LYS 73 + HE2 LYS 73 OK 33 58 70 81 2.3-3.0 3.0=57, 3298/4.0=5...(44) HD2 LYS 73 + HE3 LYS 73 OK 32 54 75 80 2.3-3.0 3.0=57, 3298/4.0=5...(39) HD2 LYS 73 + HE2 LYS 73 OK 27 62 55 80 2.5-3.0 3.0=57, 3298/4.0=5...(40) HD3 LYS 73 + HE3 LYS 73 OK 22 51 55 80 2.5-3.0 3.0=57, 3298/4.0=5...(43) HB ILE 15 - HE3 LYS 12 far 4 79 5 - 2.2-6.9 HD2 LYS 90 - HE3 LYS 90 far 3 29 10 - 2.6-3.0 HG LEU 70 - HE3 LYS 73 far 0 85 0 - 3.5-8.3 HG LEU 70 - HE2 LYS 73 far 0 93 0 - 3.8-8.4 HG2 PRO 86 - HE3 LYS 13 far 0 98 0 - 4.2-9.0 HB3 LEU 70 - HE3 LYS 73 far 0 78 0 - 4.4-8.9 HD3 LYS 20 - HE3 LYS 90 far 0 44 0 - 4.4-8.4 HG12 ILE 15 - HE3 LYS 12 far 0 100 0 - 4.6-8.2 HB3 LEU 70 - HE2 LYS 73 far 0 87 0 - 4.6-9.1 HG3 LYS 20 - HE3 LYS 90 far 0 44 0 - 4.9-8.9 HG2 PRO 86 - HE2 LYS 13 far 0 99 0 - 5.0-9.6 HG3 LYS 20 - HE2 LYS 24 far 0 83 0 - 5.4-11.6 HG2 PRO 86 - HE3 LYS 90 far 0 58 0 - 5.5-7.5 HD2 LYS 20 - HE3 LYS 90 far 0 47 0 - 5.6-8.5 HD3 LYS 20 - HE3 LYS 24 far 0 83 0 - 5.8-12.5 HD3 LYS 33 - HE3 LYS 12 far 0 87 0 - 5.8-9.2 HD3 LYS 20 - HE2 LYS 24 far 0 83 0 - 6.1-12.3 HG3 LYS 20 - HE3 LYS 24 far 0 83 0 - 6.2-11.6 HD3 LYS 12 - HE3 LYS 13 far 0 99 0 - 6.5-10.7 HD2 LYS 20 - HE2 LYS 13 far 0 87 0 - 6.5-12.1 HD3 LYS 66 - HE2 LYS 73 far 0 93 0 - 6.6-10.6 HD2 LYS 20 - HE3 LYS 24 far 0 88 0 - 6.9-12.0 HD2 LYS 33 - HE3 LYS 12 far 0 87 0 - 6.9-10.5 HD3 LYS 66 - HE3 LYS 73 far 0 85 0 - 6.9-10.7 HD2 LYS 24 - HE3 LYS 90 far 0 59 0 - 7.1-11.6 HB ILE 15 - HE3 LYS 13 far 0 76 0 - 7.1-10.8 HD2 LYS 12 - HE3 LYS 13 far 0 99 0 - 7.1-11.2 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.2-12.0 HD3 LYS 24 - HE3 LYS 90 far 0 60 0 - 7.3-10.7 HD3 LYS 13 - HE3 LYS 12 far 0 100 0 - 7.3-11.8 HB3 ARG 91 - HE3 LYS 90 far 0 52 0 - 7.4-8.9 HD3 LYS 90 - HE3 LYS 13 far 0 99 0 - 7.4-13.8 HB ILE 15 - HE2 LYS 13 far 0 78 0 - 7.4-11.0 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.5-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 88 0 - 7.5-11.7 HD3 LYS 20 - HE2 LYS 13 far 0 83 0 - 7.5-13.3 HD2 LYS 20 - HE3 LYS 13 far 0 86 0 - 7.5-11.8 HD3 LYS 20 - HE3 LYS 13 far 0 81 0 - 7.6-13.1 HD2 LYS 13 - HE3 LYS 12 far 0 100 0 - 7.7-11.9 HD2 LYS 13 - HE3 LYS 90 far 0 60 0 - 7.7-13.0 HD3 LYS 13 - HE3 LYS 90 far 0 60 0 - 8.0-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 88 0 - 8.1-13.3 HD3 LYS 20 - HE3 LYS 12 far 0 84 0 - 8.2-14.3 HB ILE 52 - HE3 LYS 47 far 0 73 0 - 8.2-11.2 HG3 LYS 20 - HE3 LYS 12 far 0 84 0 - 8.3-16.0 HD3 LYS 90 - HE2 LYS 13 far 0 99 0 - 8.4-13.0 HB ILE 52 - HE2 LYS 47 far 0 73 0 - 8.5-11.4 HG3 LYS 20 - HE2 LYS 13 far 0 83 0 - 8.6-13.7 HD2 LYS 90 - HE3 LYS 13 far 0 57 0 - 8.8-13.4 HD3 LYS 90 - HE3 LYS 24 far 0 100 0 - 8.9-13.3 HD2 LYS 90 - HE3 LYS 24 far 0 59 0 - 9.0-12.8 HB2 LEU 2 - HE3 LYS 47 far 0 98 0 - 9.3-13.4 HG3 LYS 20 - HE3 LYS 13 far 0 81 0 - 9.3-14.0 HD2 LYS 90 - HE2 LYS 24 far 0 59 0 - 9.4-13.4 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 9.6-13.5 HG12 ILE 15 - HE3 LYS 13 far 0 98 0 - 9.7-12.9 HB2 LEU 2 - HE2 LYS 47 far 0 98 0 - 9.7-13.4 HD2 LYS 90 - HE2 LYS 13 far 0 58 0 - 9.9-13.5 HB3 LYS 40 - HE2 LYS 47 far 0 91 0 - 9.9-14.0 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 78 assignments used, quality = 1.00: HD3 LYS 13 + HE2 LYS 13 OK 73 100 85 86 2.3-3.0 2.9=60, 3.0/474=8...(41) HD2 LYS 24 + HE3 LYS 24 OK 70 100 85 83 2.3-3.0 3.0=59, 559/1.8=4...(41) HD3 LYS 47 + HE2 LYS 47 OK 68 89 90 85 2.3-3.0 3.0=59, 3.9/2154=7...(48) HD2 LYS 12 + HE3 LYS 12 OK 60 100 75 80 2.3-3.0 3.0=58, ~463=13, ~423=12...(17) HD2 LYS 13 + HE3 LYS 13 OK 56 99 65 87 2.3-3.0 2.9=60, 3.0/474=9...(41) * HD3 LYS 12 + HE3 LYS 12 OK 52 100 65 81 2.3-3.0 3.0=58, ~463=13, ~423=12...(18) HD3 LYS 24 + HE2 LYS 24 OK 50 100 60 83 2.3-3.0 3.0=59, 1121/3.7=5...(41) HD2 LYS 47 + HE3 LYS 47 OK 48 88 65 84 2.3-3.0 3.0=59, 3.9/2154=7...(49) HD3 LYS 24 + HE3 LYS 24 OK 46 100 55 83 2.4-3.0 3.0=59, 1121/3.7=5...(41) HD2 LYS 24 + HE2 LYS 24 OK 45 100 55 83 2.4-3.0 3.0=59, 3.0/1092=4...(41) HD2 LYS 13 + HE2 LYS 13 OK 43 100 50 87 2.5-3.0 2.9=60, 3.0/474=8...(41) HD3 LYS 13 + HE3 LYS 13 OK 43 99 50 87 2.5-3.0 2.9=60, 3.0/474=9...(41) HD3 LYS 90 + HE3 LYS 90 OK 42 60 90 79 2.2-3.0 3.0=59, 3981/4.8=13...(12) HD2 LYS 47 + HE2 LYS 47 OK 37 88 50 85 2.3-3.0 3.0=59, 3.9/2155=7...(49) HD3 LYS 47 + HE3 LYS 47 OK 34 89 45 85 2.3-3.0 3.0=59, 3.9/2154=7...(47) HD3 LYS 73 + HE2 LYS 73 OK 33 58 70 81 2.3-3.0 3.0=57, 3298/4.0=5...(44) HD2 LYS 73 + HE3 LYS 73 OK 32 54 75 80 2.3-3.0 3.0=57, 3298/4.0=5...(39) HD2 LYS 73 + HE2 LYS 73 OK 27 62 55 80 2.5-3.0 3.0=57, 3298/4.0=5...(40) HD3 LYS 73 + HE3 LYS 73 OK 22 51 55 80 2.5-3.0 3.0=57, 3298/4.0=5...(43) HB ILE 15 - HE3 LYS 12 far 4 79 5 - 2.2-6.9 HD2 LYS 90 - HE3 LYS 90 far 3 29 10 - 2.6-3.0 HG LEU 70 - HE3 LYS 73 far 0 85 0 - 3.5-8.3 HG LEU 70 - HE2 LYS 73 far 0 93 0 - 3.8-8.4 HG2 PRO 86 - HE3 LYS 13 far 0 98 0 - 4.2-9.0 HB3 LEU 70 - HE3 LYS 73 far 0 78 0 - 4.4-8.9 HD3 LYS 20 - HE3 LYS 90 far 0 44 0 - 4.4-8.4 HG12 ILE 15 - HE3 LYS 12 far 0 100 0 - 4.6-8.2 HB3 LEU 70 - HE2 LYS 73 far 0 87 0 - 4.6-9.1 HG3 LYS 20 - HE3 LYS 90 far 0 44 0 - 4.9-8.9 HG2 PRO 86 - HE2 LYS 13 far 0 99 0 - 5.0-9.6 HG3 LYS 20 - HE2 LYS 24 far 0 83 0 - 5.4-11.6 HG2 PRO 86 - HE3 LYS 90 far 0 58 0 - 5.5-7.5 HD2 LYS 20 - HE3 LYS 90 far 0 47 0 - 5.6-8.5 HD3 LYS 20 - HE3 LYS 24 far 0 83 0 - 5.8-12.5 HD3 LYS 33 - HE3 LYS 12 far 0 87 0 - 5.8-9.2 HD3 LYS 20 - HE2 LYS 24 far 0 83 0 - 6.1-12.3 HG3 LYS 20 - HE3 LYS 24 far 0 83 0 - 6.2-11.6 HD3 LYS 12 - HE3 LYS 13 far 0 99 0 - 6.5-10.7 HD2 LYS 20 - HE2 LYS 13 far 0 87 0 - 6.5-12.1 HD3 LYS 66 - HE2 LYS 73 far 0 93 0 - 6.6-10.6 HD2 LYS 20 - HE3 LYS 24 far 0 88 0 - 6.9-12.0 HD2 LYS 33 - HE3 LYS 12 far 0 87 0 - 6.9-10.5 HD3 LYS 66 - HE3 LYS 73 far 0 85 0 - 6.9-10.7 HD2 LYS 24 - HE3 LYS 90 far 0 59 0 - 7.1-11.6 HB ILE 15 - HE3 LYS 13 far 0 76 0 - 7.1-10.8 HD2 LYS 12 - HE3 LYS 13 far 0 99 0 - 7.1-11.2 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.2-12.0 HD3 LYS 24 - HE3 LYS 90 far 0 60 0 - 7.3-10.7 HD3 LYS 13 - HE3 LYS 12 far 0 100 0 - 7.3-11.8 HB3 ARG 91 - HE3 LYS 90 far 0 52 0 - 7.4-8.9 HD3 LYS 90 - HE3 LYS 13 far 0 99 0 - 7.4-13.8 HB ILE 15 - HE2 LYS 13 far 0 78 0 - 7.4-11.0 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.5-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 88 0 - 7.5-11.7 HD3 LYS 20 - HE2 LYS 13 far 0 83 0 - 7.5-13.3 HD2 LYS 20 - HE3 LYS 13 far 0 86 0 - 7.5-11.8 HD3 LYS 20 - HE3 LYS 13 far 0 81 0 - 7.6-13.1 HD2 LYS 13 - HE3 LYS 12 far 0 100 0 - 7.7-11.9 HD2 LYS 13 - HE3 LYS 90 far 0 60 0 - 7.7-13.0 HD3 LYS 13 - HE3 LYS 90 far 0 60 0 - 8.0-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 88 0 - 8.1-13.3 HD3 LYS 20 - HE3 LYS 12 far 0 84 0 - 8.2-14.3 HB ILE 52 - HE3 LYS 47 far 0 73 0 - 8.2-11.2 HG3 LYS 20 - HE3 LYS 12 far 0 84 0 - 8.3-16.0 HD3 LYS 90 - HE2 LYS 13 far 0 99 0 - 8.4-13.0 HB ILE 52 - HE2 LYS 47 far 0 73 0 - 8.5-11.4 HG3 LYS 20 - HE2 LYS 13 far 0 83 0 - 8.6-13.7 HD2 LYS 90 - HE3 LYS 13 far 0 57 0 - 8.8-13.4 HD3 LYS 90 - HE3 LYS 24 far 0 100 0 - 8.9-13.3 HD2 LYS 90 - HE3 LYS 24 far 0 59 0 - 9.0-12.8 HB2 LEU 2 - HE3 LYS 47 far 0 98 0 - 9.3-13.4 HG3 LYS 20 - HE3 LYS 13 far 0 81 0 - 9.3-14.0 HD2 LYS 90 - HE2 LYS 24 far 0 59 0 - 9.4-13.4 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 9.6-13.5 HG12 ILE 15 - HE3 LYS 13 far 0 98 0 - 9.7-12.9 HB2 LEU 2 - HE2 LYS 47 far 0 98 0 - 9.7-13.4 HD2 LYS 90 - HE2 LYS 13 far 0 58 0 - 9.9-13.5 HB3 LYS 40 - HE2 LYS 47 far 0 91 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 478 from cnoeabs.peaks (3.01, 2.96, 41.80 ppm; 2.40 A): 3 out of 14 assignments used, quality = 1.00: * HE2 LYS 12 + HE3 LYS 12 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 47 + HE2 LYS 47 OK 67 67 100 100 1.8-1.8 1.8=100 HE2 LYS 47 + HE3 LYS 47 OK 67 67 100 100 1.8-1.8 1.8=100 HB3 ASP 11 - HE3 LYS 13 far 0 96 0 - 4.6-8.5 HE2 LYS 33 - HE3 LYS 12 far 0 98 0 - 4.8-8.5 HE3 LYS 33 - HE3 LYS 12 far 0 98 0 - 5.3-9.5 HB3 ASP 11 - HE3 LYS 12 far 0 98 0 - 5.5-9.6 HB3 ASP 11 - HE2 LYS 13 far 0 97 0 - 5.8-9.1 HB2 PHE 45 - HE2 LYS 47 far 0 83 0 - 6.9-10.5 HB2 SER 9 - HE3 LYS 12 far 0 96 0 - 7.0-10.7 HB2 PHE 45 - HE3 LYS 47 far 0 83 0 - 8.0-10.1 HE2 LYS 12 - HE3 LYS 13 far 0 99 0 - 8.4-12.3 HE2 LYS 12 - HE2 LYS 13 far 0 100 0 - 9.2-12.5 HB2 SER 9 - HE3 LYS 13 far 0 93 0 - 9.9-13.4 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): 2 out of 4 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 41 70 70 84 3.1-4.0 2.9/10833=41...(7) H GLU 17 - HA LYS 13 far 0 98 0 - 4.0-4.5 H ILE 15 - HA LYS 13 far 0 100 0 - 4.3-4.5 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: HB3 LYS 13 + HA LYS 13 OK 99 100 100 99 2.5-2.7 3.0=86, 3.0/486=37...(24) * HB2 LYS 13 + HA LYS 13 OK 99 100 100 99 3.0-3.0 3.0=86, 6174/2.9=45...(21) HB3 LEU 14 - HA LYS 13 far 0 97 0 - 5.7-5.9 HB2 GLU 17 - HA LYS 13 far 0 85 0 - 6.6-7.5 HB3 ARG 19 - HA LYS 13 far 0 98 0 - 7.8-8.6 HB3 LYS 20 - HA LYS 13 far 0 94 0 - 8.6-10.5 HB2 LYS 20 - HA LYS 13 far 0 82 0 - 8.9-10.5 HB VAL 54 - HA GLN 72 far 0 45 0 - 9.0-9.7 HG LEU 42 - HA GLN 72 far 0 59 0 - 9.2-9.9 HB2 ARG 19 - HA LYS 13 far 0 87 0 - 9.4-10.3 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 2.5-2.7 3.0=86, 3.0/486=37...(24) HB2 LYS 13 + HA LYS 13 OK 99 100 100 99 3.0-3.0 3.0=86, 6175/2.9=45...(21) HB3 LEU 14 - HA LYS 13 far 0 98 0 - 5.7-5.9 HB2 GLU 17 - HA LYS 13 far 0 82 0 - 6.6-7.5 HB3 ARG 19 - HA LYS 13 far 0 96 0 - 7.8-8.6 HB3 LYS 20 - HA LYS 13 far 0 92 0 - 8.6-10.5 HB2 LYS 20 - HA LYS 13 far 0 85 0 - 8.9-10.5 HB VAL 54 - HA GLN 72 far 0 48 0 - 9.0-9.7 HG LEU 42 - HA GLN 72 far 0 61 0 - 9.2-9.9 HB2 ARG 19 - HA LYS 13 far 0 90 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 485 from cnoeabs.peaks (1.43, 4.15, 58.53 ppm; 3.77 A increased from 3.55 A): 2 out of 6 assignments used, quality = 1.00: * HG2 LYS 13 + HA LYS 13 OK 100 100 100 100 2.2-3.8 518=91, 6176/2.9=56...(45) QB ALA 71 + HA GLN 72 OK 58 59 100 99 3.7-3.9 7170/3.0=64, 5.0=44...(17) HG13 ILE 76 - HA GLN 72 far 0 69 0 - 6.2-6.8 HG2 LYS 12 - HA LYS 13 far 0 96 0 - 6.2-6.6 HG2 LYS 20 - HA LYS 13 far 0 82 0 - 7.7-9.8 HG3 LYS 39 - HA GLN 72 far 0 66 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 486 from cnoeabs.peaks (1.50, 4.15, 58.53 ppm; 3.36 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 13 + HA LYS 13 OK 100 100 100 100 2.5-3.3 3.9=63, 1.8/518=57...(42) HB2 LEU 14 - HA LYS 13 far 0 85 0 - 5.8-6.0 HG2 LYS 73 - HA GLN 72 far 0 69 0 - 5.8-6.8 HG12 ILE 56 - HA GLN 72 far 0 41 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 487 from cnoeabs.peaks (1.70, 4.15, 58.53 ppm; 4.30 A increased from 3.62 A): 2 out of 16 assignments used, quality = 1.00: HD3 LYS 13 + HA LYS 13 OK 100 100 100 100 2.1-4.4 3.0/486=79, 3.0/518=70...(61) * HD2 LYS 13 + HA LYS 13 OK 85 100 85 100 2.0-4.7 3.0/486=79, 3.0/518=70...(61) HB ILE 15 - HA LYS 13 far 0 79 0 - 5.2-5.5 HD3 LYS 12 - HA LYS 13 far 0 100 0 - 5.8-7.0 HG2 PRO 86 - HA LYS 13 far 0 99 0 - 5.9-7.4 HD2 LYS 12 - HA LYS 13 far 0 100 0 - 6.1-7.9 HD2 LYS 20 - HA LYS 13 far 0 88 0 - 6.2-7.4 HG12 ILE 15 - HA LYS 13 far 0 100 0 - 6.5-8.1 HD3 LYS 20 - HA LYS 13 far 0 84 0 - 6.7-8.8 HD2 LYS 73 - HA GLN 72 far 0 43 0 - 7.4-8.3 HD3 LYS 73 - HA GLN 72 far 0 40 0 - 7.5-8.1 HG3 LYS 20 - HA LYS 13 far 0 84 0 - 7.5-9.5 HB3 LEU 70 - HA GLN 72 far 0 63 0 - 7.6-7.8 HD3 LYS 90 - HA LYS 13 far 0 100 0 - 8.1-10.7 HG LEU 70 - HA GLN 72 far 0 70 0 - 8.6-8.9 HD2 LYS 90 - HA LYS 13 far 0 59 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 488 from cnoeabs.peaks (1.70, 4.15, 58.53 ppm; 4.30 A increased from 3.62 A): 2 out of 16 assignments used, quality = 1.00: * HD3 LYS 13 + HA LYS 13 OK 100 100 100 100 2.1-4.4 3.0/486=79, 3.0/518=70...(61) HD2 LYS 13 + HA LYS 13 OK 85 100 85 100 2.0-4.7 3.0/486=79, 3.0/518=70...(61) HB ILE 15 - HA LYS 13 far 0 82 0 - 5.2-5.5 HD3 LYS 12 - HA LYS 13 far 0 100 0 - 5.8-7.0 HG2 PRO 86 - HA LYS 13 far 0 99 0 - 5.9-7.4 HD2 LYS 12 - HA LYS 13 far 0 100 0 - 6.1-7.9 HD2 LYS 20 - HA LYS 13 far 0 85 0 - 6.2-7.4 HG12 ILE 15 - HA LYS 13 far 0 99 0 - 6.5-8.1 HD3 LYS 20 - HA LYS 13 far 0 81 0 - 6.7-8.8 HD2 LYS 73 - HA GLN 72 far 0 40 0 - 7.4-8.3 HD3 LYS 73 - HA GLN 72 far 0 37 0 - 7.5-8.1 HG3 LYS 20 - HA LYS 13 far 0 81 0 - 7.5-9.5 HB3 LEU 70 - HA GLN 72 far 0 65 0 - 7.6-7.8 HD3 LYS 90 - HA LYS 13 far 0 100 0 - 8.1-10.7 HG LEU 70 - HA GLN 72 far 0 69 0 - 8.6-8.9 HD2 LYS 90 - HA LYS 13 far 0 63 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 489 from cnoeabs.peaks (2.96, 4.15, 58.53 ppm; 5.03 A increased from 4.74 A): 3 out of 8 assignments used, quality = 0.99: HE3 LYS 13 + HA LYS 13 OK 90 100 90 100 2.5-6.1 3.8/486=82, 3.8/518=75...(50) * HE2 LYS 13 + HA LYS 13 OK 80 100 80 100 2.1-6.0 3.8/486=82, 3.8/518=75...(50) HB3 ASP 11 + HA LYS 13 OK 50 70 75 96 4.9-5.6 6195/3.6=70, ~8390=41...(11) HE3 LYS 12 - HA LYS 13 far 0 100 0 - 5.8-9.0 HE3 LYS 73 - HA GLN 72 far 0 64 0 - 6.9-9.6 HE2 LYS 73 - HA GLN 72 far 0 68 0 - 7.4-9.5 HE3 LYS 90 - HA LYS 13 far 0 87 0 - 8.1-11.0 HB2 SER 9 - HA LYS 13 far 0 75 0 - 8.2-9.8 Violated in 0 structures by 0.00 A. Peak 490 from cnoeabs.peaks (2.96, 4.15, 58.53 ppm; 5.03 A increased from 4.74 A): 3 out of 8 assignments used, quality = 0.99: * HE3 LYS 13 + HA LYS 13 OK 90 100 90 100 2.5-6.1 3.8/486=82, 3.8/518=75...(50) HE2 LYS 13 + HA LYS 13 OK 80 100 80 100 2.1-6.0 3.8/486=82, 3.8/518=75...(50) HB3 ASP 11 + HA LYS 13 OK 47 65 75 96 4.9-5.6 6196/3.6=70, ~8390=41...(11) HE3 LYS 12 - HA LYS 13 far 0 100 0 - 5.8-9.0 HE3 LYS 73 - HA GLN 72 far 0 66 0 - 6.9-9.6 HE2 LYS 73 - HA GLN 72 far 0 68 0 - 7.4-9.5 HE3 LYS 90 - HA LYS 13 far 0 90 0 - 8.1-11.0 HB2 SER 9 - HA LYS 13 far 0 71 0 - 8.2-9.8 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 64 68 100 94 3.0-3.4 9650=61, 7248/10833=53...(9) Violated in 0 structures by 0.00 A. Peak 492 from cnoeabs.peaks (8.02, 4.15, 58.53 ppm; 3.96 A increased from 3.73 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 16 + HA LYS 13 OK 100 100 100 100 3.5-4.0 6226=100, 6237/493=63...(8) Violated in 1 structures by 0.00 A. Peak 493 from cnoeabs.peaks (2.08, 4.15, 58.53 ppm; 3.60 A): 1 out of 3 assignments used, quality = 0.80: * HB2 GLU 16 + HA LYS 13 OK 80 100 100 80 3.0-3.8 6237/6226=48, 695=34...(5) HB3 PRO 86 - HA LYS 13 far 0 79 0 - 6.4-7.4 HB2 MET 74 - HA GLN 72 far 0 65 0 - 6.5-7.0 Violated in 3 structures by 0.02 A. Peak 494 from cnoeabs.peaks (2.17, 4.15, 58.53 ppm; 3.00 A): 1 out of 10 assignments used, quality = 0.70: HB2 GLN 72 + HA GLN 72 OK 70 70 100 100 2.6-2.7 3.0=100 ! HB3 GLU 16 - HA LYS 13 far 10 100 10 - 2.4-5.1 HG2 GLU 75 - HA GLN 72 far 0 68 0 - 5.2-7.7 HG3 PRO 86 - HA LYS 13 far 0 77 0 - 5.7-8.4 HB2 GLU 75 - HA GLN 72 far 0 47 0 - 5.8-6.9 HG3 GLU 75 - HA GLN 72 far 0 68 0 - 6.0-7.6 HB3 GLU 75 - HA GLN 72 far 0 54 0 - 6.2-6.9 HB3 GLU 69 - HA GLN 72 far 0 34 0 - 7.2-7.7 HB2 GLU 69 - HA GLN 72 far 0 34 0 - 7.7-8.2 HG2 GLU 69 - HA GLN 72 far 0 34 0 - 8.0-9.1 Violated in 0 structures by 0.00 A. Peak 495 from cnoeabs.peaks (8.07, 1.92, 31.45 ppm; 3.02 A): 1 out of 7 assignments used, quality = 1.00: * H LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.2-2.6 6174=100, 6177/3.0=37...(20) H LYS 13 - HB3 LYS 13 far 0 100 0 - 3.5-3.6 H ILE 15 - HB2 LYS 13 far 0 100 0 - 4.7-4.9 H GLU 17 - HB3 LYS 13 far 0 98 0 - 5.1-5.6 H ILE 15 - HB3 LYS 13 far 0 100 0 - 5.2-5.5 H GLU 17 - HB2 LYS 13 far 0 98 0 - 5.9-6.5 H LYS 90 - HB3 LYS 13 far 0 79 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 496 from cnoeabs.peaks (4.15, 1.92, 31.45 ppm; 3.10 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 13 + HB2 LYS 13 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.5-2.7 3.0=100 HB3 SER 85 - HB3 LYS 13 far 0 65 0 - 8.2-9.2 HB3 SER 85 - HB2 LYS 13 far 0 65 0 - 8.4-9.7 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 5 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 2.5-2.6 3.0=100 HG2 LYS 12 - HB2 LYS 13 far 0 96 0 - 6.9-7.7 HG2 LYS 12 - HB3 LYS 13 far 0 96 0 - 8.1-8.4 HG2 LYS 20 - HB3 LYS 13 far 0 82 0 - 8.9-11.6 Violated in 0 structures by 0.00 A. Peak 500 from cnoeabs.peaks (1.50, 1.92, 31.45 ppm; 3.18 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.3-2.6 3.0=100 HG3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LEU 14 - HB2 LYS 13 far 0 85 0 - 4.1-4.6 HB2 LEU 14 - HB3 LYS 13 far 0 85 0 - 4.5-5.0 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 22 assignments used, quality = 1.00: HD2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.1-3.6 3.6=94, ~486=20, ~518=19...(88) HD3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.2-3.7 3.6=94, 487/3.0=22...(88) * HD2 LYS 13 + HB2 LYS 13 OK 95 100 95 100 2.5-4.1 3.6=94, ~486=20...(107) HD3 LYS 13 + HB2 LYS 13 OK 60 100 60 100 2.7-4.2 3.6=94, 487/3.0=22...(105) HG2 PRO 86 - HB3 LYS 13 far 0 99 0 - 3.9-5.7 HG2 PRO 86 - HB2 LYS 13 far 0 99 0 - 4.6-6.9 HB ILE 15 - HB2 LYS 13 far 0 79 0 - 6.4-6.7 HD3 LYS 12 - HB2 LYS 13 far 0 100 0 - 6.6-8.0 HG12 ILE 15 - HB2 LYS 13 far 0 100 0 - 6.7-8.5 HD2 LYS 12 - HB2 LYS 13 far 0 100 0 - 6.8-8.8 HB ILE 15 - HB3 LYS 13 far 0 79 0 - 6.9-7.3 HG12 ILE 15 - HB3 LYS 13 far 0 100 0 - 7.3-9.3 HD3 LYS 90 - HB3 LYS 13 far 0 100 0 - 7.5-10.1 HD2 LYS 20 - HB3 LYS 13 far 0 88 0 - 7.8-9.2 HD3 LYS 20 - HB3 LYS 13 far 0 84 0 - 8.0-10.6 HD3 LYS 12 - HB3 LYS 13 far 0 100 0 - 8.0-8.7 HD2 LYS 12 - HB3 LYS 13 far 0 100 0 - 8.2-9.7 HD3 LYS 90 - HB2 LYS 13 far 0 100 0 - 8.7-11.4 HD2 LYS 20 - HB2 LYS 13 far 0 88 0 - 8.9-10.2 HD2 LYS 90 - HB3 LYS 13 far 0 59 0 - 9.0-10.0 HG3 LYS 20 - HB3 LYS 13 far 0 84 0 - 9.2-10.5 HD3 LYS 20 - HB2 LYS 13 far 0 84 0 - 9.3-11.6 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 22 assignments used, quality = 1.00: HD3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.2-3.7 3.6=94, 488/3.0=22...(88) HD2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.1-3.6 3.6=94, ~486=20, ~518=19...(88) HD2 LYS 13 + HB2 LYS 13 OK 95 100 95 100 2.5-4.1 3.6=94, ~486=20...(107) * HD3 LYS 13 + HB2 LYS 13 OK 60 100 60 100 2.7-4.2 3.6=94, 488/3.0=22...(105) HG2 PRO 86 - HB3 LYS 13 far 0 99 0 - 3.9-5.7 HG2 PRO 86 - HB2 LYS 13 far 0 99 0 - 4.6-6.9 HB ILE 15 - HB2 LYS 13 far 0 82 0 - 6.4-6.7 HD3 LYS 12 - HB2 LYS 13 far 0 100 0 - 6.6-8.0 HG12 ILE 15 - HB2 LYS 13 far 0 99 0 - 6.7-8.5 HD2 LYS 12 - HB2 LYS 13 far 0 100 0 - 6.8-8.8 HB ILE 15 - HB3 LYS 13 far 0 82 0 - 6.9-7.3 HG12 ILE 15 - HB3 LYS 13 far 0 99 0 - 7.3-9.3 HD3 LYS 90 - HB3 LYS 13 far 0 100 0 - 7.5-10.1 HD2 LYS 20 - HB3 LYS 13 far 0 85 0 - 7.8-9.2 HD3 LYS 20 - HB3 LYS 13 far 0 80 0 - 8.0-10.6 HD3 LYS 12 - HB3 LYS 13 far 0 100 0 - 8.0-8.7 HD2 LYS 12 - HB3 LYS 13 far 0 100 0 - 8.2-9.7 HD3 LYS 90 - HB2 LYS 13 far 0 100 0 - 8.7-11.4 HD2 LYS 20 - HB2 LYS 13 far 0 85 0 - 8.9-10.2 HD2 LYS 90 - HB3 LYS 13 far 0 63 0 - 9.0-10.0 HG3 LYS 20 - HB3 LYS 13 far 0 80 0 - 9.2-10.5 HD3 LYS 20 - HB2 LYS 13 far 0 81 0 - 9.3-11.6 Violated in 0 structures by 0.00 A. Peak 503 from cnoeabs.peaks (2.96, 1.92, 31.45 ppm; 4.61 A): 6 out of 13 assignments used, quality = 1.00: HE2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.1-4.7 5.0=78, 474/3.0=27...(80) HE3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.2-4.8 5.0=78, 474/3.0=29...(80) HE3 LYS 13 + HB2 LYS 13 OK 90 100 90 100 3.2-5.0 5.0=78, 474/3.0=29...(96) * HE2 LYS 13 + HB2 LYS 13 OK 70 100 70 100 3.6-5.5 5.0=78, 474/3.0=27...(96) HB3 ASP 11 + HB2 LYS 13 OK 59 70 100 85 2.7-3.7 6195/4.6=48...(10) HB3 ASP 11 + HB3 LYS 13 OK 51 69 90 82 4.2-4.9 6195/4.6=48, 8365/1.8=18...(9) HE3 LYS 12 - HB2 LYS 13 far 0 100 0 - 6.4-9.9 HB2 SER 9 - HB2 LYS 13 far 0 75 0 - 7.3-8.9 HE3 LYS 90 - HB3 LYS 13 far 0 87 0 - 7.6-10.5 HE3 LYS 12 - HB3 LYS 13 far 0 100 0 - 7.7-10.8 HB2 SER 9 - HB3 LYS 13 far 0 75 0 - 8.3-9.7 HB2 ASN 10 - HB2 LYS 13 far 0 73 0 - 8.6-9.5 HE3 LYS 90 - HB2 LYS 13 far 0 87 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 504 from cnoeabs.peaks (2.96, 1.92, 31.45 ppm; 4.61 A): 6 out of 13 assignments used, quality = 1.00: HE3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.2-4.8 5.0=78, 474/3.0=29...(80) HE2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.1-4.7 5.0=78, 474/3.0=27...(80) * HE3 LYS 13 + HB2 LYS 13 OK 90 100 90 100 3.2-5.0 5.0=78, 474/3.0=29...(96) HE2 LYS 13 + HB2 LYS 13 OK 70 100 70 100 3.6-5.5 5.0=78, 474/3.0=27...(96) HB3 ASP 11 + HB2 LYS 13 OK 55 65 100 84 2.7-3.7 6196/4.6=48, 1.8/8362=21...(10) HB3 ASP 11 + HB3 LYS 13 OK 48 65 90 81 4.2-4.9 6196/4.6=48, 8365/1.8=17...(9) HE3 LYS 12 - HB2 LYS 13 far 0 100 0 - 6.4-9.9 HB2 SER 9 - HB2 LYS 13 far 0 71 0 - 7.3-8.9 HE3 LYS 90 - HB3 LYS 13 far 0 89 0 - 7.6-10.5 HE3 LYS 12 - HB3 LYS 13 far 0 100 0 - 7.7-10.8 HB2 SER 9 - HB3 LYS 13 far 0 71 0 - 8.3-9.7 HB2 ASN 10 - HB2 LYS 13 far 0 77 0 - 8.6-9.5 HE3 LYS 90 - HB2 LYS 13 far 0 90 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 505 from cnoeabs.peaks (7.55, 1.92, 31.45 ppm; 3.48 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 14 + HB2 LYS 13 OK 97 100 100 97 2.4-2.7 6182/6174=63, 4.6=42...(17) H LEU 14 + HB3 LYS 13 OK 96 100 100 96 3.1-3.6 6182/4.0=43, 4.6=42...(15) H GLU 88 - HB3 LYS 13 far 0 93 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 506 from cnoeabs.peaks (8.07, 1.91, 31.45 ppm; 3.02 A): 1 out of 7 assignments used, quality = 1.00: H LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.2-2.6 6175=100, 6177/3.0=37...(20) ! H LYS 13 - HB3 LYS 13 far 0 100 0 - 3.5-3.6 H ILE 15 - HB2 LYS 13 far 0 100 0 - 4.7-4.9 H GLU 17 - HB3 LYS 13 far 0 98 0 - 5.1-5.6 H ILE 15 - HB3 LYS 13 far 0 100 0 - 5.2-5.5 H GLU 17 - HB2 LYS 13 far 0 98 0 - 5.9-6.5 H LYS 90 - HB3 LYS 13 far 0 79 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 507 from cnoeabs.peaks (4.15, 1.91, 31.45 ppm; 3.10 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.5-2.7 3.0=100 HA LYS 13 + HB2 LYS 13 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 SER 85 - HB3 LYS 13 far 0 65 0 - 8.2-9.2 HB3 SER 85 - HB2 LYS 13 far 0 65 0 - 8.4-9.7 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 5 assignments used, quality = 1.00: * HG2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.5-2.6 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 - 6.9-7.7 HG2 LYS 12 - HB3 LYS 13 far 0 96 0 - 8.1-8.4 HG2 LYS 20 - HB3 LYS 13 far 0 82 0 - 8.9-11.6 Violated in 0 structures by 0.00 A. Peak 511 from cnoeabs.peaks (1.50, 1.91, 31.45 ppm; 3.18 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.3-2.6 3.0=100 HB2 LEU 14 - HB2 LYS 13 far 0 85 0 - 4.1-4.6 HB2 LEU 14 - HB3 LYS 13 far 0 85 0 - 4.5-5.0 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 22 assignments used, quality = 1.00: * HD2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.1-3.6 3.6=94, ~486=20, ~518=19...(88) HD3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.2-3.7 3.6=94, 487/3.0=22...(88) HD2 LYS 13 + HB2 LYS 13 OK 95 100 95 100 2.5-4.1 3.6=94, ~486=20...(107) HD3 LYS 13 + HB2 LYS 13 OK 60 100 60 100 2.7-4.2 3.6=94, 487/3.0=22...(105) HG2 PRO 86 - HB3 LYS 13 far 0 99 0 - 3.9-5.7 HG2 PRO 86 - HB2 LYS 13 far 0 99 0 - 4.6-6.9 HB ILE 15 - HB2 LYS 13 far 0 79 0 - 6.4-6.7 HD3 LYS 12 - HB2 LYS 13 far 0 100 0 - 6.6-8.0 HG12 ILE 15 - HB2 LYS 13 far 0 100 0 - 6.7-8.5 HD2 LYS 12 - HB2 LYS 13 far 0 100 0 - 6.8-8.8 HB ILE 15 - HB3 LYS 13 far 0 79 0 - 6.9-7.3 HG12 ILE 15 - HB3 LYS 13 far 0 100 0 - 7.3-9.3 HD3 LYS 90 - HB3 LYS 13 far 0 100 0 - 7.5-10.1 HD2 LYS 20 - HB3 LYS 13 far 0 88 0 - 7.8-9.2 HD3 LYS 20 - HB3 LYS 13 far 0 84 0 - 8.0-10.6 HD3 LYS 12 - HB3 LYS 13 far 0 100 0 - 8.0-8.7 HD2 LYS 12 - HB3 LYS 13 far 0 100 0 - 8.2-9.7 HD3 LYS 90 - HB2 LYS 13 far 0 100 0 - 8.7-11.4 HD2 LYS 20 - HB2 LYS 13 far 0 88 0 - 8.9-10.2 HD2 LYS 90 - HB3 LYS 13 far 0 59 0 - 9.0-10.0 HG3 LYS 20 - HB3 LYS 13 far 0 84 0 - 9.2-10.5 HD3 LYS 20 - HB2 LYS 13 far 0 84 0 - 9.3-11.6 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 22 assignments used, quality = 1.00: * HD3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.2-3.7 3.6=94, 488/3.0=22...(88) HD2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.1-3.6 3.6=94, ~486=20, ~518=19...(88) HD2 LYS 13 + HB2 LYS 13 OK 95 100 95 100 2.5-4.1 3.6=94, ~486=20...(107) HD3 LYS 13 + HB2 LYS 13 OK 60 100 60 100 2.7-4.2 3.6=94, 488/3.0=22...(105) HG2 PRO 86 - HB3 LYS 13 far 0 99 0 - 3.9-5.7 HG2 PRO 86 - HB2 LYS 13 far 0 99 0 - 4.6-6.9 HB ILE 15 - HB2 LYS 13 far 0 82 0 - 6.4-6.7 HD3 LYS 12 - HB2 LYS 13 far 0 100 0 - 6.6-8.0 HG12 ILE 15 - HB2 LYS 13 far 0 99 0 - 6.7-8.5 HD2 LYS 12 - HB2 LYS 13 far 0 100 0 - 6.8-8.8 HB ILE 15 - HB3 LYS 13 far 0 82 0 - 6.9-7.3 HG12 ILE 15 - HB3 LYS 13 far 0 99 0 - 7.3-9.3 HD3 LYS 90 - HB3 LYS 13 far 0 100 0 - 7.5-10.1 HD2 LYS 20 - HB3 LYS 13 far 0 85 0 - 7.8-9.2 HD3 LYS 20 - HB3 LYS 13 far 0 81 0 - 8.0-10.6 HD3 LYS 12 - HB3 LYS 13 far 0 100 0 - 8.0-8.7 HD2 LYS 12 - HB3 LYS 13 far 0 100 0 - 8.2-9.7 HD3 LYS 90 - HB2 LYS 13 far 0 100 0 - 8.7-11.4 HD2 LYS 20 - HB2 LYS 13 far 0 85 0 - 8.9-10.2 HD2 LYS 90 - HB3 LYS 13 far 0 63 0 - 9.0-10.0 HG3 LYS 20 - HB3 LYS 13 far 0 81 0 - 9.2-10.5 HD3 LYS 20 - HB2 LYS 13 far 0 80 0 - 9.3-11.6 Violated in 0 structures by 0.00 A. Peak 514 from cnoeabs.peaks (2.96, 1.91, 31.45 ppm; 4.61 A): 6 out of 13 assignments used, quality = 1.00: * HE2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.1-4.7 5.0=78, 474/3.0=27...(80) HE3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.2-4.8 5.0=78, 474/3.0=29...(80) HE3 LYS 13 + HB2 LYS 13 OK 90 100 90 100 3.2-5.0 5.0=78, 474/3.0=29...(96) HE2 LYS 13 + HB2 LYS 13 OK 70 100 70 100 3.6-5.5 5.0=78, 474/3.0=27...(96) HB3 ASP 11 + HB2 LYS 13 OK 59 69 100 85 2.7-3.7 6195/4.6=48...(10) HB3 ASP 11 + HB3 LYS 13 OK 52 70 90 82 4.2-4.9 6195/4.6=48, 8365/1.8=18...(9) HE3 LYS 12 - HB2 LYS 13 far 0 100 0 - 6.4-9.9 HB2 SER 9 - HB2 LYS 13 far 0 75 0 - 7.3-8.9 HE3 LYS 90 - HB3 LYS 13 far 0 87 0 - 7.6-10.5 HE3 LYS 12 - HB3 LYS 13 far 0 100 0 - 7.7-10.8 HB2 SER 9 - HB3 LYS 13 far 0 75 0 - 8.3-9.7 HB2 ASN 10 - HB2 LYS 13 far 0 73 0 - 8.6-9.5 HE3 LYS 90 - HB2 LYS 13 far 0 87 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 515 from cnoeabs.peaks (2.96, 1.91, 31.45 ppm; 4.61 A): 6 out of 13 assignments used, quality = 1.00: * HE3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.2-4.8 5.0=78, 474/3.0=29...(80) HE2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.1-4.7 5.0=78, 474/3.0=27...(80) HE3 LYS 13 + HB2 LYS 13 OK 90 100 90 100 3.2-5.0 5.0=78, 474/3.0=29...(96) HE2 LYS 13 + HB2 LYS 13 OK 70 100 70 100 3.6-5.5 5.0=78, 474/3.0=27...(96) HB3 ASP 11 + HB2 LYS 13 OK 55 65 100 84 2.7-3.7 6196/4.6=48, 1.8/8362=21...(10) HB3 ASP 11 + HB3 LYS 13 OK 48 65 90 81 4.2-4.9 6196/4.6=48, 8365/1.8=17...(9) HE3 LYS 12 - HB2 LYS 13 far 0 100 0 - 6.4-9.9 HB2 SER 9 - HB2 LYS 13 far 0 71 0 - 7.3-8.9 HE3 LYS 90 - HB3 LYS 13 far 0 90 0 - 7.6-10.5 HE3 LYS 12 - HB3 LYS 13 far 0 100 0 - 7.7-10.8 HB2 SER 9 - HB3 LYS 13 far 0 71 0 - 8.3-9.7 HB2 ASN 10 - HB2 LYS 13 far 0 77 0 - 8.6-9.5 HE3 LYS 90 - HB2 LYS 13 far 0 89 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 516 from cnoeabs.peaks (7.55, 1.91, 31.45 ppm; 3.48 A): 2 out of 3 assignments used, quality = 1.00: H LEU 14 + HB2 LYS 13 OK 97 100 100 97 2.4-2.7 6182/6175=63, 4.6=42...(17) * H LEU 14 + HB3 LYS 13 OK 96 100 100 96 3.1-3.6 6182/4.0=43, 4.6=42...(15) H GLU 88 - HB3 LYS 13 far 0 93 0 - 9.7-10.5 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 3.0-3.8 6176=100, 6177/1.8=79...(21) H GLU 17 - HG2 LYS 20 far 3 58 5 - 4.2-7.0 H LYS 13 - HG2 LYS 12 far 0 92 0 - 4.6-5.3 H ILE 15 - HG2 LYS 12 far 0 92 0 - 5.5-5.8 H ILE 15 - HG2 LYS 13 far 0 100 0 - 6.2-7.0 H GLU 17 - HG2 LYS 13 far 0 98 0 - 6.2-7.7 H LYS 90 - HG2 LYS 20 far 0 42 0 - 7.6-11.5 H GLU 17 - HG2 LYS 12 far 0 88 0 - 7.7-9.0 H ILE 15 - HG2 LYS 20 far 0 62 0 - 8.1-10.5 Violated in 0 structures by 0.00 A. Peak 518 from cnoeabs.peaks (4.15, 1.43, 25.00 ppm; 3.88 A): 1 out of 5 assignments used, quality = 1.00: * HA LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.2-3.8 3.9=97, 486/1.8=87...(45) HA LYS 13 - HG2 LYS 12 far 0 92 0 - 6.2-6.6 HA LYS 13 - HG2 LYS 20 far 0 62 0 - 7.7-9.8 HA GLU 23 - HG2 LYS 20 far 0 61 0 - 7.9-9.0 HB3 SER 85 - HG2 LYS 13 far 0 65 0 - 9.7-11.8 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 17 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 2.5-2.6 3.0=100 HB3 LYS 20 + HG2 LYS 20 OK 54 54 100 100 2.4-3.0 3.0=100 HB2 LYS 20 + HG2 LYS 20 OK 44 44 100 100 2.2-3.0 3.0=100 HB3 ARG 19 - HG2 LYS 20 far 0 58 0 - 3.8-5.2 HB2 GLU 17 - HG2 LYS 20 far 0 47 0 - 4.2-8.2 HB2 ARG 19 - HG2 LYS 20 far 0 48 0 - 4.7-5.9 HB3 LEU 14 - HG2 LYS 13 far 0 97 0 - 6.7-7.4 HB2 LYS 13 - HG2 LYS 12 far 0 92 0 - 6.9-7.7 HB3 LEU 14 - HG2 LYS 12 far 0 86 0 - 7.4-8.0 HB3 ARG 19 - HG2 LYS 12 far 0 87 0 - 7.9-10.3 HB3 LYS 13 - HG2 LYS 12 far 0 92 0 - 8.1-8.4 HB2 GLU 17 - HG2 LYS 13 far 0 85 0 - 8.4-9.6 HB3 LYS 13 - HG2 LYS 20 far 0 62 0 - 8.9-11.6 HB2 ARG 19 - HG2 LYS 12 far 0 75 0 - 9.0-11.3 HB3 LYS 33 - HG2 LYS 12 far 0 92 0 - 9.2-10.8 HB3 LEU 14 - HG2 LYS 20 far 0 57 0 - 9.9-12.8 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 17 assignments used, quality = 1.00: * HB3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.5-2.6 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 2.4-3.0 3.0=100 HB2 LYS 20 + HG2 LYS 20 OK 47 47 100 100 2.2-3.0 3.0=100 HB3 ARG 19 - HG2 LYS 20 far 0 56 0 - 3.8-5.2 HB2 GLU 17 - HG2 LYS 20 far 0 44 0 - 4.2-8.2 HB2 ARG 19 - HG2 LYS 20 far 0 50 0 - 4.7-5.9 HB3 LEU 14 - HG2 LYS 13 far 0 98 0 - 6.7-7.4 HB2 LYS 13 - HG2 LYS 12 far 0 92 0 - 6.9-7.7 HB3 LEU 14 - HG2 LYS 12 far 0 88 0 - 7.4-8.0 HB3 ARG 19 - HG2 LYS 12 far 0 85 0 - 7.9-10.3 HB3 LYS 13 - HG2 LYS 12 far 0 92 0 - 8.1-8.4 HB2 GLU 17 - HG2 LYS 13 far 0 82 0 - 8.4-9.6 HB3 LYS 13 - HG2 LYS 20 far 0 62 0 - 8.9-11.6 HB2 ARG 19 - HG2 LYS 12 far 0 78 0 - 9.0-11.3 HB3 LYS 33 - HG2 LYS 12 far 0 92 0 - 9.2-10.8 HB3 LEU 14 - HG2 LYS 20 far 0 58 0 - 9.9-12.8 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 7 assignments used, quality = 1.00: * HG3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 24 - HG2 LYS 20 far 0 59 0 - 5.8-10.2 HG3 LYS 13 - HG2 LYS 12 far 0 92 0 - 6.1-7.3 HB2 LEU 14 - HG2 LYS 13 far 0 85 0 - 6.3-7.1 HG3 LYS 33 - HG2 LYS 12 far 0 91 0 - 8.1-9.5 HB2 LEU 14 - HG2 LYS 12 far 0 73 0 - 8.6-9.2 HB ILE 7 - HG2 LYS 20 far 0 47 0 - 9.4-12.2 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 36 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...(58) HD3 LYS 13 + HG2 LYS 13 OK 98 100 100 98 2.3-3.0 3.0=82, 5.5/518=12...(60) HD3 LYS 12 + HG2 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=80, 3.0/463=30...(51) HD2 LYS 12 + HG2 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=80, 3.0/463=30...(53) HD2 LYS 20 + HG2 LYS 20 OK 48 49 100 99 2.2-3.0 2.8=91, 1.8/1729=14...(75) 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 98 2.4-2.9 2.8=91, 5.3/848=11...(57) HB ILE 15 - HG2 LYS 12 far 0 67 0 - 3.7-4.6 HD3 LYS 24 - HG2 LYS 20 far 0 62 0 - 5.3-10.4 HG12 ILE 15 - HG2 LYS 12 far 0 91 0 - 5.7-6.4 HD2 LYS 24 - HG2 LYS 20 far 0 62 0 - 5.9-9.0 HG2 PRO 86 - HG2 LYS 13 far 0 99 0 - 5.9-8.2 HD3 LYS 90 - HG2 LYS 20 far 0 62 0 - 6.0-10.5 HD3 LYS 12 - HG2 LYS 13 far 0 100 0 - 6.9-8.9 HB ILE 15 - HG2 LYS 13 far 0 79 0 - 7.0-8.5 HD3 LYS 33 - HG2 LYS 12 far 0 75 0 - 7.2-8.9 HD2 LYS 13 - HG2 LYS 12 far 0 92 0 - 7.3-9.6 HD2 LYS 12 - HG2 LYS 13 far 0 100 0 - 7.4-9.5 HD2 LYS 90 - HG2 LYS 20 far 0 30 0 - 7.4-11.2 HD3 LYS 13 - HG2 LYS 12 far 0 92 0 - 7.5-9.9 HD2 LYS 33 - HG2 LYS 12 far 0 75 0 - 7.7-9.9 HD2 LYS 20 - HG2 LYS 13 far 0 88 0 - 7.9-10.6 HD3 LYS 13 - HG2 LYS 20 far 0 62 0 - 8.1-13.0 HB ILE 15 - HG2 LYS 20 far 0 42 0 - 8.2-9.8 HD3 LYS 20 - HG2 LYS 13 far 0 84 0 - 8.5-12.2 HD2 LYS 13 - HG2 LYS 20 far 0 62 0 - 8.7-13.4 HG12 ILE 15 - HG2 LYS 13 far 0 100 0 - 8.9-10.6 HD2 LYS 20 - HG2 LYS 12 far 0 76 0 - 8.9-11.4 HD3 LYS 20 - HG2 LYS 12 far 0 72 0 - 9.0-13.0 HG2 PRO 86 - HG2 LYS 20 far 0 61 0 - 9.3-12.5 HD2 LYS 12 - HG2 LYS 20 far 0 62 0 - 9.4-13.7 HG3 LYS 20 - HG2 LYS 12 far 0 72 0 - 9.5-13.8 HD3 LYS 90 - HG2 LYS 13 far 0 100 0 - 9.5-12.5 HG3 LYS 20 - HG2 LYS 13 far 0 84 0 - 9.7-12.3 HD3 LYS 12 - HG2 LYS 20 far 0 62 0 - 9.7-14.1 HG12 ILE 15 - HG2 LYS 20 far 0 61 0 - 9.8-11.9 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 36 assignments used, quality = 1.00: HD2 LYS 13 + HG2 LYS 13 OK 98 100 100 99 2.3-3.0 3.0=82, 5.5/518=12...(58) * HD3 LYS 13 + HG2 LYS 13 OK 98 100 100 98 2.3-3.0 3.0=82, 5.5/518=12...(60) HD3 LYS 12 + HG2 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=80, 3.0/463=30...(51) HD2 LYS 12 + HG2 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=80, 3.0/463=30...(53) HD2 LYS 20 + HG2 LYS 20 OK 46 47 100 99 2.2-3.0 2.8=91, 1.8/1729=14...(75) 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 98 2.4-2.9 2.8=91, 5.3/848=11...(57) HB ILE 15 - HG2 LYS 12 far 0 70 0 - 3.7-4.6 HD3 LYS 24 - HG2 LYS 20 far 0 61 0 - 5.3-10.4 HG12 ILE 15 - HG2 LYS 12 far 0 90 0 - 5.7-6.4 HD2 LYS 24 - HG2 LYS 20 far 0 61 0 - 5.9-9.0 HG2 PRO 86 - HG2 LYS 13 far 0 99 0 - 5.9-8.2 HD3 LYS 90 - HG2 LYS 20 far 0 61 0 - 6.0-10.5 HD3 LYS 12 - HG2 LYS 13 far 0 100 0 - 6.9-8.9 HB ILE 15 - HG2 LYS 13 far 0 82 0 - 7.0-8.5 HD3 LYS 33 - HG2 LYS 12 far 0 78 0 - 7.2-8.9 HD2 LYS 13 - HG2 LYS 12 far 0 92 0 - 7.3-9.6 HD2 LYS 12 - HG2 LYS 13 far 0 100 0 - 7.4-9.5 HD2 LYS 90 - HG2 LYS 20 far 0 32 0 - 7.4-11.2 HD3 LYS 13 - HG2 LYS 12 far 0 92 0 - 7.5-9.9 HD2 LYS 33 - HG2 LYS 12 far 0 78 0 - 7.7-9.9 HD2 LYS 20 - HG2 LYS 13 far 0 85 0 - 7.9-10.6 HD3 LYS 13 - HG2 LYS 20 far 0 62 0 - 8.1-13.0 HB ILE 15 - HG2 LYS 20 far 0 44 0 - 8.2-9.8 HD3 LYS 20 - HG2 LYS 13 far 0 81 0 - 8.5-12.2 HD2 LYS 13 - HG2 LYS 20 far 0 62 0 - 8.7-13.4 HG12 ILE 15 - HG2 LYS 13 far 0 99 0 - 8.9-10.6 HD2 LYS 20 - HG2 LYS 12 far 0 73 0 - 8.9-11.4 HD3 LYS 20 - HG2 LYS 12 far 0 69 0 - 9.0-13.0 HG2 PRO 86 - HG2 LYS 20 far 0 60 0 - 9.3-12.5 HD2 LYS 12 - HG2 LYS 20 far 0 62 0 - 9.4-13.7 HG3 LYS 20 - HG2 LYS 12 far 0 69 0 - 9.5-13.8 HD3 LYS 90 - HG2 LYS 13 far 0 100 0 - 9.5-12.5 HG3 LYS 20 - HG2 LYS 13 far 0 81 0 - 9.7-12.3 HD3 LYS 12 - HG2 LYS 20 far 0 62 0 - 9.7-14.1 HG12 ILE 15 - HG2 LYS 20 far 0 60 0 - 9.8-11.9 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 2.2-4.1 3.8=100 HE3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.2-3.8 3.8=100 HE3 LYS 12 + HG2 LYS 12 OK 91 91 100 100 2.3-4.2 4.0=100 HB3 ASP 11 - HG2 LYS 13 far 10 70 15 - 4.0-5.9 HG2 MET 21 - HG2 LYS 20 far 0 52 0 - 5.3-8.7 HE3 LYS 24 - HG2 LYS 20 far 0 62 0 - 5.3-10.7 HE3 LYS 90 - HG2 LYS 20 far 0 48 0 - 5.5-9.1 HE2 LYS 24 - HG2 LYS 20 far 0 62 0 - 5.8-10.7 HB3 ASP 11 - HG2 LYS 12 far 0 58 0 - 6.0-7.2 HE3 LYS 13 - HG2 LYS 12 far 0 92 0 - 6.4-10.4 HE3 LYS 12 - HG2 LYS 13 far 0 100 0 - 6.8-11.0 HB2 ASN 10 - HG2 LYS 12 far 0 62 0 - 7.1-9.4 HB2 SER 9 - HG2 LYS 12 far 0 64 0 - 7.1-9.5 HE2 LYS 13 - HG2 LYS 12 far 0 92 0 - 7.5-10.8 HE2 LYS 13 - HG2 LYS 20 far 0 62 0 - 9.0-14.4 HB2 SER 9 - HG2 LYS 13 far 0 75 0 - 9.1-11.4 HE3 LYS 90 - HG2 LYS 13 far 0 87 0 - 9.6-12.1 HE3 LYS 13 - HG2 LYS 20 far 0 62 0 - 9.7-14.3 HE3 LYS 12 - HG2 LYS 20 far 0 62 0 - 9.8-15.0 HB2 ASN 10 - HG2 LYS 13 far 0 73 0 - 9.9-11.8 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 2.2-3.8 3.8=100 HE2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.2-4.1 3.8=100 HE3 LYS 12 + HG2 LYS 12 OK 91 91 100 100 2.3-4.2 4.0=100 HB3 ASP 11 - HG2 LYS 13 far 10 65 15 - 4.0-5.9 HG2 MET 21 - HG2 LYS 20 far 0 54 0 - 5.3-8.7 HE3 LYS 24 - HG2 LYS 20 far 0 62 0 - 5.3-10.7 HE3 LYS 90 - HG2 LYS 20 far 0 50 0 - 5.5-9.1 HE2 LYS 24 - HG2 LYS 20 far 0 62 0 - 5.8-10.7 HB3 ASP 11 - HG2 LYS 12 far 0 55 0 - 6.0-7.2 HE3 LYS 13 - HG2 LYS 12 far 0 92 0 - 6.4-10.4 HE3 LYS 12 - HG2 LYS 13 far 0 100 0 - 6.8-11.0 HB2 ASN 10 - HG2 LYS 12 far 0 65 0 - 7.1-9.4 HB2 SER 9 - HG2 LYS 12 far 0 60 0 - 7.1-9.5 HE2 LYS 13 - HG2 LYS 12 far 0 92 0 - 7.5-10.8 HE2 LYS 13 - HG2 LYS 20 far 0 62 0 - 9.0-14.4 HB2 SER 9 - HG2 LYS 13 far 0 71 0 - 9.1-11.4 HE3 LYS 90 - HG2 LYS 13 far 0 90 0 - 9.6-12.1 HE3 LYS 13 - HG2 LYS 20 far 0 62 0 - 9.7-14.3 HE3 LYS 12 - HG2 LYS 20 far 0 61 0 - 9.8-15.0 HB2 ASN 10 - HG2 LYS 13 far 0 77 0 - 9.9-11.8 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 4.6-5.0 6191=100, 6182/6176=90...(12) H LEU 14 - HG2 LYS 12 far 0 92 0 - 6.4-6.8 H LYS 24 - HG2 LYS 20 far 0 51 0 - 6.4-7.5 H LEU 14 - HG2 LYS 20 far 0 62 0 - 9.2-11.8 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 7 assignments used, quality = 1.00: * H LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.0-2.8 6177=100, 6175/3.0=86...(21) H ILE 15 - HG3 LYS 13 far 0 100 0 - 5.8-6.4 H SER 102 - HG3 LYS 53 far 0 53 0 - 5.8-8.6 H GLU 75 - HG2 LYS 73 far 0 100 0 - 5.9-6.4 H GLU 17 - HG3 LYS 13 far 0 98 0 - 6.6-7.5 H LYS 39 - HG2 LYS 73 far 0 99 0 - 8.6-10.5 H ILE 15 - HG3 LYS 33 far 0 94 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 529 from cnoeabs.peaks (4.15, 1.50, 25.00 ppm; 3.18 A): 2 out of 9 assignments used, quality = 1.00: * HA LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.5-3.3 486=85, 518/1.8=50...(41) HA LYS 47 + HG2 LYS 47 OK 77 97 80 99 2.8-3.9 3.9=54, 2.9/6772=40...(51) HA LYS 73 - HG2 LYS 73 poor 19 94 20 - 3.4-4.2 HA GLU 23 - HG3 LYS 24 far 0 95 0 - 5.4-7.3 HA GLN 72 - HG2 LYS 73 far 0 100 0 - 5.8-6.8 HA MET 1 - HG3 LYS 53 far 0 60 0 - 5.9-6.5 HA GLU 99 - HG3 LYS 53 far 0 38 0 - 8.8-10.3 HA GLU 104 - HG3 LYS 53 far 0 42 0 - 9.8-14.7 HA GLU 98 - HG3 LYS 53 far 0 36 0 - 10.0-12.1 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: * HB2 LYS 13 + HG3 LYS 13 OK 98 100 100 98 2.3-2.6 3.0=77, 3.0/486=34...(50) HB3 LYS 13 + HG3 LYS 13 OK 97 100 100 97 3.0-3.0 3.0=77, 3.0/486=34...(40) HB3 LYS 47 + HG2 LYS 47 OK 97 98 100 98 2.2-2.7 3.0=77, 2146/6772=24...(72) HB2 LYS 33 + HG3 LYS 33 OK 93 94 100 99 2.9-3.0 2.8=87, 3.0/1418=33...(40) HB3 LYS 33 + HG3 LYS 33 OK 93 94 100 99 2.7-2.7 2.8=87, 3.0/1418=33...(40) HB2 LYS 20 - HG3 LYS 24 far 0 76 0 - 4.1-8.1 HB2 GLU 43 - HG2 LYS 47 far 0 98 0 - 5.0-6.4 HB3 LYS 20 - HG3 LYS 24 far 0 88 0 - 5.3-8.7 HB VAL 32 - HG3 LYS 33 far 0 77 0 - 5.4-5.6 HB2 MET 1 - HG3 LYS 53 far 0 45 0 - 6.3-6.9 HB3 LEU 14 - HG3 LYS 13 far 0 97 0 - 6.4-7.1 HB2 LYS 94 - HG3 LYS 24 far 0 96 0 - 7.1-10.9 HB VAL 54 - HG3 LYS 53 far 0 38 0 - 7.7-8.2 HB ILE 8 - HG3 LYS 33 far 0 81 0 - 7.9-8.5 HB3 ARG 19 - HG3 LYS 24 far 0 92 0 - 8.2-11.8 HB2 ARG 19 - HG3 LYS 24 far 0 80 0 - 8.3-11.4 HB2 GLU 17 - HG3 LYS 13 far 0 85 0 - 8.9-10.1 HG LEU 42 - HG2 LYS 73 far 0 91 0 - 9.3-10.6 HB2 GLU 17 - HG3 LYS 24 far 0 79 0 - 9.4-12.1 HG LEU 42 - HG2 LYS 47 far 0 90 0 - 9.8-11.5 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: HB2 LYS 13 + HG3 LYS 13 OK 98 100 100 98 2.3-2.6 3.0=77, 3.0/486=34...(50) * HB3 LYS 13 + HG3 LYS 13 OK 97 100 100 97 3.0-3.0 3.0=77, 3.0/486=34...(40) HB3 LYS 47 + HG2 LYS 47 OK 96 98 100 98 2.2-2.7 3.0=77, 2146/6772=24...(72) HB3 LYS 33 + HG3 LYS 33 OK 93 94 100 99 2.7-2.7 2.8=87, 3.0/1418=33...(40) HB2 LYS 33 + HG3 LYS 33 OK 93 94 100 99 2.9-3.0 2.8=87, 3.0/1418=33...(40) HB2 LYS 20 - HG3 LYS 24 far 0 79 0 - 4.1-8.1 HB2 GLU 43 - HG2 LYS 47 far 0 98 0 - 5.0-6.4 HB3 LYS 20 - HG3 LYS 24 far 0 86 0 - 5.3-8.7 HB VAL 32 - HG3 LYS 33 far 0 74 0 - 5.4-5.6 HB2 MET 1 - HG3 LYS 53 far 0 43 0 - 6.3-6.9 HB3 LEU 14 - HG3 LYS 13 far 0 98 0 - 6.4-7.1 HB2 LYS 94 - HG3 LYS 24 far 0 95 0 - 7.1-10.9 HB VAL 54 - HG3 LYS 53 far 0 40 0 - 7.7-8.2 HB ILE 8 - HG3 LYS 33 far 0 84 0 - 7.9-8.5 HB3 ARG 19 - HG3 LYS 24 far 0 91 0 - 8.2-11.8 HB2 ARG 19 - HG3 LYS 24 far 0 83 0 - 8.3-11.4 HB2 GLU 17 - HG3 LYS 13 far 0 82 0 - 8.9-10.1 HG LEU 42 - HG2 LYS 73 far 0 93 0 - 9.3-10.6 HB2 GLU 17 - HG3 LYS 24 far 0 76 0 - 9.4-12.1 HG LEU 42 - HG2 LYS 47 far 0 92 0 - 9.8-11.5 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 HG2 LYS 53 + HG3 LYS 53 OK 36 36 100 100 1.8-1.8 1.8=100 HD2 LYS 53 + HG3 LYS 53 OK 34 40 100 85 2.2-2.5 3.0=53, 1.8/2453=15...(29) HG13 ILE 52 - HG3 LYS 53 far 0 43 0 - 5.1-5.9 HG3 LYS 39 - HG2 LYS 73 far 0 98 0 - 5.4-10.0 HG2 LYS 20 - HG3 LYS 24 far 0 76 0 - 5.8-10.2 QB ALA 22 - HG3 LYS 24 far 0 96 0 - 5.8-7.7 QB ALA 71 - HG2 LYS 73 far 0 91 0 - 6.0-6.5 HG2 LYS 12 - HG3 LYS 13 far 0 96 0 - 6.1-7.3 HG13 ILE 76 - HG2 LYS 47 far 0 99 0 - 7.9-10.3 HG2 LYS 12 - HG3 LYS 33 far 0 88 0 - 8.1-9.5 HG13 ILE 52 - HG2 LYS 47 far 0 80 0 - 8.3-9.9 HB2 LEU 27 - HG3 LYS 24 far 0 76 0 - 8.4-10.4 HB2 LEU 38 - HG3 LYS 33 far 0 76 0 - 8.4-10.2 HB2 LEU 38 - HG2 LYS 73 far 0 84 0 - 8.6-11.4 HD3 LYS 40 - HG3 LYS 33 far 0 59 0 - 8.6-11.1 HG13 ILE 76 - HG2 LYS 73 far 0 99 0 - 8.8-10.0 HD2 LYS 40 - HG3 LYS 33 far 0 61 0 - 9.1-11.4 HG LEU 38 - HG2 LYS 73 far 0 78 0 - 9.5-10.5 QB ALA 71 - HG3 LYS 53 far 0 50 0 - 9.7-10.6 HG12 ILE 7 - HG3 LYS 33 far 0 93 0 - 9.7-10.2 HB2 LEU 27 - HG3 LYS 53 far 0 43 0 - 9.8-11.2 HG LEU 38 - HG3 LYS 33 far 0 69 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 533 from cnoeabs.peaks (1.50, 1.50, 25.00 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HG3 LYS 13 + HG3 LYS 13 OK 100 100 - 100 HG2 LYS 73 + HG2 LYS 73 OK 99 99 - 100 HG2 LYS 47 + HG2 LYS 47 OK 99 99 - 100 HG3 LYS 24 + HG3 LYS 24 OK 94 94 - 100 HG3 LYS 33 + HG3 LYS 33 OK 93 93 - 100 HG3 LYS 53 + HG3 LYS 53 OK 40 40 - 100 Peak 534 from cnoeabs.peaks (1.70, 1.50, 25.00 ppm; 2.44 A): 10 out of 32 assignments used, quality = 1.00: HD3 LYS 47 + HG2 LYS 47 OK 84 91 100 92 2.3-2.6 3.0=56, ~2195=8...(63) HD3 LYS 33 + HG3 LYS 33 OK 66 77 90 94 2.3-3.0 3.0=56, ~1483=20...(47) HD3 LYS 13 + HG3 LYS 13 OK 62 100 70 88 2.3-3.0 3.0=57, 5.5/486=9...(40) * HD2 LYS 13 + HG3 LYS 13 OK 57 100 65 87 2.3-3.0 3.0=57, 1.8/555=9...(37) HD2 LYS 24 + HG3 LYS 24 OK 56 96 65 91 2.3-3.0 3.0=57, 4.9/1096=11...(47) HD3 LYS 24 + HG3 LYS 24 OK 53 96 60 92 2.3-3.0 3.0=57, 1121/1.8=11...(56) HB3 LYS 53 + HG3 LYS 53 OK 49 54 100 91 2.2-2.4 3.0=56, 2451/3.0=26...(25) HD2 LYS 47 + HG2 LYS 47 OK 46 90 55 93 2.3-3.0 3.0=56, 2195/1.8=16...(71) HD2 LYS 73 + HG2 LYS 73 OK 44 70 70 90 2.3-3.0 3.0=57, 3298/1.8=11...(58) HD3 LYS 73 + HG2 LYS 73 OK 32 66 55 89 2.4-3.0 3.0=57, 1.8/3297=13...(52) HD2 LYS 33 - HG3 LYS 33 far 8 77 10 - 2.7-3.0 HB3 LEU 70 - HG2 LYS 73 far 0 95 0 - 4.4-5.5 HG LEU 70 - HG2 LYS 73 far 0 100 0 - 4.5-5.1 HB2 LEU 2 - HG3 LYS 53 far 0 60 0 - 4.9-5.7 HB ILE 52 - HG3 LYS 53 far 0 39 0 - 5.7-6.4 HD3 LYS 12 - HG3 LYS 13 far 0 100 0 - 5.8-7.4 HG3 LYS 20 - HG3 LYS 24 far 0 77 0 - 6.2-10.6 HG12 ILE 15 - HG3 LYS 33 far 0 93 0 - 6.3-8.1 HD2 LYS 12 - HG3 LYS 13 far 0 100 0 - 6.5-8.1 HD3 LYS 66 - HG2 LYS 73 far 0 100 0 - 6.7-8.4 HB ILE 15 - HG3 LYS 13 far 0 79 0 - 6.8-7.5 HG2 PRO 86 - HG3 LYS 13 far 0 99 0 - 6.9-8.6 HD3 LYS 20 - HG3 LYS 24 far 0 77 0 - 7.0-12.0 HD2 LYS 20 - HG3 LYS 24 far 0 82 0 - 7.5-11.1 HD2 LYS 12 - HG3 LYS 33 far 0 94 0 - 7.6-10.8 HB ILE 52 - HG2 LYS 47 far 0 75 0 - 7.7-8.9 HG12 ILE 15 - HG3 LYS 13 far 0 100 0 - 8.1-9.8 HD3 LYS 12 - HG3 LYS 33 far 0 94 0 - 8.1-10.5 HB ILE 15 - HG3 LYS 33 far 0 69 0 - 8.6-9.1 HD2 LYS 20 - HG3 LYS 13 far 0 88 0 - 8.6-10.1 HD3 LYS 20 - HG3 LYS 13 far 0 84 0 - 8.7-11.5 HB2 LEU 2 - HG2 LYS 47 far 0 99 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 535 from cnoeabs.peaks (1.70, 1.50, 25.00 ppm; 2.44 A): 10 out of 32 assignments used, quality = 1.00: HD3 LYS 47 + HG2 LYS 47 OK 82 89 100 92 2.3-2.6 3.0=56, ~2195=8...(63) HD3 LYS 33 + HG3 LYS 33 OK 68 80 90 94 2.3-3.0 3.0=56, ~1483=20...(47) * HD3 LYS 13 + HG3 LYS 13 OK 62 100 70 88 2.3-3.0 3.0=57, 5.5/486=9...(40) HD2 LYS 13 + HG3 LYS 13 OK 57 100 65 87 2.3-3.0 3.0=57, 1.8/555=9...(37) HD2 LYS 24 + HG3 LYS 24 OK 56 95 65 90 2.3-3.0 3.0=57, 4.9/1096=11...(47) HD3 LYS 24 + HG3 LYS 24 OK 53 96 60 92 2.3-3.0 3.0=57, 1121/1.8=11...(56) HB3 LYS 53 + HG3 LYS 53 OK 48 53 100 91 2.2-2.4 3.0=56, 2451/3.0=25...(25) HD2 LYS 47 + HG2 LYS 47 OK 45 88 55 93 2.3-3.0 3.0=56, 2195/1.8=15...(71) HD2 LYS 73 + HG2 LYS 73 OK 42 66 70 90 2.3-3.0 3.0=57, 3298/1.8=11...(58) HD3 LYS 73 + HG2 LYS 73 OK 30 62 55 89 2.4-3.0 3.0=57, 1.8/3297=13...(52) HD2 LYS 33 - HG3 LYS 33 far 8 80 10 - 2.7-3.0 HB3 LEU 70 - HG2 LYS 73 far 0 97 0 - 4.4-5.5 HG LEU 70 - HG2 LYS 73 far 0 99 0 - 4.5-5.1 HB2 LEU 2 - HG3 LYS 53 far 0 60 0 - 4.9-5.7 HB ILE 52 - HG3 LYS 53 far 0 37 0 - 5.7-6.4 HD3 LYS 12 - HG3 LYS 13 far 0 100 0 - 5.8-7.4 HG3 LYS 20 - HG3 LYS 24 far 0 74 0 - 6.2-10.6 HG12 ILE 15 - HG3 LYS 33 far 0 92 0 - 6.3-8.1 HD2 LYS 12 - HG3 LYS 13 far 0 100 0 - 6.5-8.1 HD3 LYS 66 - HG2 LYS 73 far 0 100 0 - 6.7-8.4 HB ILE 15 - HG3 LYS 13 far 0 82 0 - 6.8-7.5 HG2 PRO 86 - HG3 LYS 13 far 0 99 0 - 6.9-8.6 HD3 LYS 20 - HG3 LYS 24 far 0 74 0 - 7.0-12.0 HD2 LYS 20 - HG3 LYS 24 far 0 79 0 - 7.5-11.1 HD2 LYS 12 - HG3 LYS 33 far 0 94 0 - 7.6-10.8 HB ILE 52 - HG2 LYS 47 far 0 71 0 - 7.7-8.9 HG12 ILE 15 - HG3 LYS 13 far 0 99 0 - 8.1-9.8 HD3 LYS 12 - HG3 LYS 33 far 0 94 0 - 8.1-10.5 HB ILE 15 - HG3 LYS 33 far 0 73 0 - 8.6-9.1 HD2 LYS 20 - HG3 LYS 13 far 0 85 0 - 8.6-10.1 HD3 LYS 20 - HG3 LYS 13 far 0 81 0 - 8.7-11.5 HB2 LEU 2 - HG2 LYS 47 far 0 99 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 536 from cnoeabs.peaks (2.96, 1.50, 25.00 ppm; 3.72 A increased from 3.30 A): 8 out of 22 assignments used, quality = 1.00: HE2 LYS 24 + HG3 LYS 24 OK 96 96 100 100 2.2-4.0 3.7=100 HE3 LYS 47 + HG2 LYS 47 OK 96 96 100 100 2.4-3.9 3.8=96, 2155/3.0=22...(121) * HE2 LYS 13 + HG3 LYS 13 OK 95 100 95 100 2.3-4.1 3.8=92, 474/1.8=25...(77) HE3 LYS 13 + HG3 LYS 13 OK 95 100 95 100 2.1-4.2 3.8=92, 474/1.8=28...(76) HE3 LYS 24 + HG3 LYS 24 OK 91 96 95 100 2.3-4.2 3.7=100 HE2 LYS 73 + HG2 LYS 73 OK 88 98 90 100 2.1-4.2 4.0=80, 3.0/3297=17...(110) HE3 LYS 73 + HG2 LYS 73 OK 86 96 90 100 2.2-4.1 4.0=80, 3.0/3297=17...(109) HE2 LYS 47 + HG2 LYS 47 OK 67 96 70 100 2.3-4.2 3.8=96, 2154/3.0=21...(126) HB3 ASP 11 - HG3 LYS 13 far 7 70 10 - 4.0-5.8 HB2 ASN 51 - HG3 LYS 53 far 0 55 0 - 5.0-6.1 HE3 LYS 12 - HG3 LYS 13 far 0 100 0 - 5.4-9.4 HB2 PHE 45 - HG2 LYS 47 far 0 86 0 - 6.0-7.8 HG2 MET 21 - HG3 LYS 24 far 0 86 0 - 6.1-8.8 HB3 PHE 45 - HG2 LYS 47 far 0 99 0 - 6.5-8.1 HE3 LYS 12 - HG3 LYS 33 far 0 93 0 - 7.4-10.5 HB2 SER 9 - HG3 LYS 33 far 0 66 0 - 7.7-8.5 HB3 PHE 45 - HG3 LYS 53 far 0 59 0 - 8.1-9.1 HB2 ASN 10 - HG3 LYS 33 far 0 64 0 - 8.6-9.2 HB2 SER 9 - HG3 LYS 13 far 0 75 0 - 8.7-10.9 HE3 LYS 90 - HG3 LYS 24 far 0 80 0 - 8.9-11.4 HB2 ASN 10 - HG3 LYS 13 far 0 73 0 - 9.1-10.8 HB2 PHE 45 - HG3 LYS 53 far 0 47 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 537 from cnoeabs.peaks (2.96, 1.50, 25.00 ppm; 3.72 A increased from 3.30 A): 8 out of 23 assignments used, quality = 1.00: HE2 LYS 24 + HG3 LYS 24 OK 96 96 100 100 2.2-4.0 3.7=100 * HE3 LYS 13 + HG3 LYS 13 OK 95 100 95 100 2.1-4.2 3.8=92, 474/1.8=28...(76) HE2 LYS 13 + HG3 LYS 13 OK 95 100 95 100 2.3-4.1 3.8=92, 474/1.8=25...(77) HE3 LYS 47 + HG2 LYS 47 OK 94 94 100 100 2.4-3.9 3.8=96, 2155/3.0=21...(121) HE3 LYS 24 + HG3 LYS 24 OK 91 96 95 100 2.3-4.2 3.7=100 HE2 LYS 73 + HG2 LYS 73 OK 89 99 90 100 2.1-4.2 4.0=80, 3.0/3297=17...(110) HE3 LYS 73 + HG2 LYS 73 OK 87 97 90 100 2.2-4.1 4.0=80, 3.0/3297=17...(109) HE2 LYS 47 + HG2 LYS 47 OK 66 94 70 100 2.3-4.2 3.8=96, 2154/3.0=20...(126) HB3 ASP 11 - HG3 LYS 13 far 7 65 10 - 4.0-5.8 HB2 ASN 51 - HG3 LYS 53 far 0 56 0 - 5.0-6.1 HE3 LYS 12 - HG3 LYS 13 far 0 100 0 - 5.4-9.4 HB2 PHE 45 - HG2 LYS 47 far 0 83 0 - 6.0-7.8 HE2 LYS 94 - HG3 LYS 24 far 0 56 0 - 6.1-13.0 HG2 MET 21 - HG3 LYS 24 far 0 88 0 - 6.1-8.8 HB3 PHE 45 - HG2 LYS 47 far 0 98 0 - 6.5-8.1 HE3 LYS 12 - HG3 LYS 33 far 0 93 0 - 7.4-10.5 HB2 SER 9 - HG3 LYS 33 far 0 62 0 - 7.7-8.5 HB3 PHE 45 - HG3 LYS 53 far 0 58 0 - 8.1-9.1 HB2 ASN 10 - HG3 LYS 33 far 0 68 0 - 8.6-9.2 HB2 SER 9 - HG3 LYS 13 far 0 71 0 - 8.7-10.9 HE3 LYS 90 - HG3 LYS 24 far 0 83 0 - 8.9-11.4 HB2 ASN 10 - HG3 LYS 13 far 0 77 0 - 9.1-10.8 HB2 PHE 45 - HG3 LYS 53 far 0 45 0 - 9.6-10.7 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 4 assignments used, quality = 1.00: * H LEU 14 + HG3 LYS 13 OK 100 100 100 100 4.2-4.7 6182/6177=79, 3.6/486=77...(12) H LYS 24 + HG3 LYS 24 OK 84 84 100 100 2.3-4.3 6386=85, 3.0/1096=78...(22) H LEU 38 - HG3 LYS 33 far 0 81 0 - 7.4-7.8 H ILE 76 - HG2 LYS 73 far 0 99 0 - 7.6-8.1 Violated in 0 structures by 0.00 A. Peak 539 from cnoeabs.peaks (8.07, 1.70, 28.93 ppm; 5.03 A increased from 4.24 A): 8 out of 26 assignments used, quality = 1.00: * H LYS 13 + HD2 LYS 13 OK 100 100 100 100 3.6-5.2 6175/3.6=92, 6177/3.0=89...(30) H LYS 13 + HD3 LYS 13 OK 100 100 100 100 4.0-5.2 6175/3.6=92, 6177/3.0=89...(30) H LYS 13 + HD3 LYS 12 OK 52 96 55 99 4.5-5.6 6166/3.6=87, 6168/3.0=61...(8) H GLU 17 + HD2 LYS 20 OK 50 53 100 94 3.4-5.0 6250/12058=73...(20) H LYS 13 + HD2 LYS 12 OK 38 96 40 99 4.7-6.6 6166/3.6=87, 6168/3.0=61...(8) H LYS 90 + HB3 ARG 91 OK 33 36 100 93 4.8-5.0 7431/7438=72...(5) H ILE 15 + HD3 LYS 12 OK 30 96 40 79 5.0-6.8 6206/5.2=57...(3) H GLU 17 + HD3 LYS 20 OK 27 47 80 73 4.1-6.1 ~916=17, ~905=17...(16) H GLU 17 - HD3 LYS 13 far 10 98 10 - 5.1-8.3 H ILE 15 - HD2 LYS 12 far 10 96 10 - 5.3-7.0 H GLU 17 - HD2 LYS 13 far 5 98 5 - 5.2-8.5 H ILE 15 - HD2 LYS 13 far 0 100 0 - 6.3-8.2 H ILE 15 - HD3 LYS 13 far 0 100 0 - 6.4-8.1 H GLU 17 - HD3 LYS 12 far 0 92 0 - 7.0-10.0 H ILE 15 - HD2 LYS 20 far 0 57 0 - 7.4-8.6 H GLU 17 - HD2 LYS 12 far 0 92 0 - 7.5-9.9 H LYS 90 - HD3 LYS 20 far 0 34 0 - 8.0-10.9 H ILE 15 - HD3 LYS 20 far 0 51 0 - 8.2-10.0 H LYS 90 - HD2 LYS 20 far 0 38 0 - 8.5-10.9 H LYS 13 - HD2 LYS 20 far 0 57 0 - 8.6-9.8 H LYS 13 - HD3 LYS 20 far 0 51 0 - 9.2-11.1 H LYS 90 - HD3 LYS 24 far 0 78 0 - 9.4-12.5 H ILE 15 - HD3 LYS 33 far 0 50 0 - 9.7-11.6 H GLU 17 - HD2 LYS 24 far 0 97 0 - 9.9-12.4 H GLU 17 - HD3 LYS 24 far 0 97 0 - 9.9-13.5 H LYS 90 - HD2 LYS 24 far 0 77 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 540 from cnoeabs.peaks (4.15, 1.70, 28.93 ppm; 4.40 A increased from 3.70 A): 4 out of 16 assignments used, quality = 1.00: HA LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.1-4.4 486/3.0=81, 518/3.0=72...(61) * HA LYS 13 + HD2 LYS 13 OK 95 100 95 100 2.0-4.7 486/3.0=81, 518/3.0=72...(61) HA LYS 47 + HD3 LYS 47 OK 34 49 70 100 3.8-4.9 5.1=64, 2126/3.0=54...(88) HA LYS 47 + HD2 LYS 47 OK 21 47 45 100 2.2-5.0 5.1=64, 2126/3.0=54...(99) HA GLU 23 - HD2 LYS 24 far 0 99 0 - 4.8-8.4 HA LYS 13 - HD3 LYS 12 far 0 96 0 - 5.8-7.0 HA GLU 23 - HD3 LYS 24 far 0 99 0 - 6.1-9.0 HA LYS 13 - HD2 LYS 12 far 0 96 0 - 6.1-7.9 HA LYS 13 - HD2 LYS 20 far 0 57 0 - 6.2-7.4 HA LYS 13 - HD3 LYS 20 far 0 51 0 - 6.7-8.8 HA GLU 23 - HD3 LYS 20 far 0 49 0 - 7.9-10.7 HB3 SER 85 - HB3 ARG 91 far 0 29 0 - 8.0-9.4 HB3 SER 85 - HD3 LYS 13 far 0 65 0 - 9.3-12.1 HB3 SER 85 - HD2 LYS 13 far 0 65 0 - 9.3-11.5 HA GLU 23 - HD2 LYS 20 far 0 55 0 - 9.6-10.7 HA GLU 98 - HD3 LYS 24 far 0 70 0 - 9.6-15.3 Violated in 0 structures by 0.00 A. Peak 541 from cnoeabs.peaks (1.92, 1.70, 28.93 ppm; 2.88 A): 9 out of 69 assignments used, quality = 1.00: HB3 LYS 13 + HD2 LYS 13 OK 88 100 90 98 2.1-3.6 3.6=52, 513/1.8=14...(80) HB3 LYS 13 + HD3 LYS 13 OK 64 100 65 98 2.2-3.7 3.6=52, 3.0/487=14...(76) HB3 LYS 33 + HD3 LYS 33 OK 49 50 100 97 2.1-2.6 3.5=54, 3.0/1419=24...(43) HB2 LYS 33 + HD2 LYS 33 OK 44 50 90 99 2.8-3.7 3.5=54, ~1420=18...(49) HB3 LYS 33 + HD2 LYS 33 OK 44 50 90 98 2.3-3.5 3.5=54, ~1420=18...(50) HB3 LYS 47 + HD3 LYS 47 OK 35 50 70 98 2.4-4.2 3.9=39, 2154/3.0=13...(103) * HB2 LYS 13 + HD2 LYS 13 OK 30 100 30 99 2.5-4.1 3.6=52, 1.8/512=14...(86) HB3 LYS 20 + HD3 LYS 20 OK 28 43 70 92 2.0-3.9 3.5=54, ~848=12, ~883=12...(41) HB2 LYS 20 + HD3 LYS 20 OK 23 36 70 92 2.1-3.9 3.5=54, ~848=12, ~883=12...(44) HB2 LYS 13 - HD3 LYS 13 far 15 100 15 - 2.7-4.2 HB3 LYS 20 - HD2 LYS 20 poor 15 49 30 - 2.4-4.2 HB3 LYS 47 - HD2 LYS 47 poor 10 49 20 - 2.7-3.7 HB2 LYS 33 - HD3 LYS 33 far 7 50 15 - 2.8-3.7 HB2 LYS 20 - HD2 LYS 20 far 6 40 15 - 2.4-4.0 HB3 ARG 19 - HD3 LYS 20 far 5 47 10 - 2.5-6.4 HB2 LYS 20 - HD3 LYS 24 far 0 81 0 - 3.2-9.6 HB2 ARG 19 - HD3 LYS 20 far 0 38 0 - 3.5-7.3 HB3 LYS 20 - HD3 LYS 24 far 0 93 0 - 3.5-9.0 HB3 ARG 19 - HD2 LYS 20 far 0 53 0 - 3.5-5.5 HB2 LYS 20 - HD2 LYS 24 far 0 81 0 - 3.7-8.3 HB2 GLU 17 - HD3 LYS 20 far 0 37 0 - 3.9-7.4 HB3 LYS 20 - HD2 LYS 24 far 0 92 0 - 4.4-7.6 HB2 ARG 19 - HD2 LYS 20 far 0 44 0 - 4.5-6.7 HB2 GLU 17 - HD2 LYS 20 far 0 43 0 - 4.6-7.1 HB2 GLU 43 - HD3 LYS 47 far 0 50 0 - 4.6-7.3 HB2 GLU 43 - HD2 LYS 47 far 0 48 0 - 5.0-7.5 HB2 LYS 94 - HB3 ARG 91 far 0 53 0 - 5.6-7.8 HG3 GLU 88 - HB3 ARG 91 far 0 38 0 - 6.1-6.8 HB2 LYS 94 - HD3 LYS 24 far 0 99 0 - 6.4-10.7 HB2 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.6-8.0 HB2 LYS 94 - HD2 LYS 24 far 0 99 0 - 6.7-11.3 HB3 LEU 14 - HD3 LYS 12 far 0 91 0 - 6.7-8.5 HB3 LEU 14 - HD2 LYS 12 far 0 91 0 - 6.8-9.3 HB2 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.8-8.8 HB3 LEU 14 - HD2 LYS 13 far 0 97 0 - 6.9-8.6 HB3 ARG 19 - HD3 LYS 12 far 0 92 0 - 7.0-11.6 HB2 GLU 17 - HD2 LYS 13 far 0 85 0 - 7.0-10.2 HB2 GLU 17 - HD3 LYS 13 far 0 85 0 - 7.2-10.2 HB3 LEU 14 - HD3 LYS 13 far 0 97 0 - 7.3-8.7 HB VAL 32 - HD3 LYS 33 far 0 38 0 - 7.6-8.2 HB3 ARG 19 - HD2 LYS 12 far 0 92 0 - 7.7-10.7 HB3 LYS 13 - HD2 LYS 20 far 0 57 0 - 7.8-9.2 HB2 ARG 19 - HD3 LYS 24 far 0 86 0 - 7.8-12.5 HB2 ARG 19 - HD2 LYS 24 far 0 85 0 - 7.8-11.5 HB2 ARG 19 - HD3 LYS 12 far 0 80 0 - 7.9-12.5 HB3 LYS 13 - HD3 LYS 20 far 0 51 0 - 8.0-10.6 HB3 LYS 13 - HD3 LYS 12 far 0 96 0 - 8.0-8.7 HB3 ARG 19 - HD3 LYS 24 far 0 97 0 - 8.0-12.6 HB VAL 32 - HD2 LYS 33 far 0 38 0 - 8.0-8.5 HB3 ARG 19 - HD2 LYS 24 far 0 96 0 - 8.1-11.4 HB3 LYS 13 - HD2 LYS 12 far 0 96 0 - 8.2-9.7 HB3 LYS 33 - HD2 LYS 12 far 0 96 0 - 8.3-12.1 HB2 GLU 17 - HD3 LYS 24 far 0 84 0 - 8.5-11.6 HB2 ARG 19 - HD2 LYS 12 far 0 80 0 - 8.6-11.6 HB2 GLU 17 - HB3 ARG 91 far 0 40 0 - 8.7-9.5 HB3 LYS 33 - HD3 LYS 12 far 0 96 0 - 8.7-11.8 HB2 GLU 17 - HD2 LYS 24 far 0 84 0 - 8.8-11.8 HB2 LYS 13 - HD2 LYS 20 far 0 57 0 - 8.9-10.2 HB3 ARG 19 - HD3 LYS 13 far 0 97 0 - 8.9-12.8 HB3 LYS 20 - HD3 LYS 13 far 0 94 0 - 9.1-12.9 HB3 LYS 20 - HD2 LYS 13 far 0 94 0 - 9.2-14.4 HB3 ARG 19 - HD2 LYS 13 far 0 98 0 - 9.2-12.9 HB2 LYS 13 - HD3 LYS 20 far 0 51 0 - 9.3-11.6 HB2 LYS 20 - HD2 LYS 13 far 0 82 0 - 9.3-14.4 HB3 LEU 14 - HD2 LYS 20 far 0 52 0 - 9.4-10.8 HB ILE 8 - HD3 LYS 33 far 0 40 0 - 9.4-10.5 HB2 LYS 20 - HD3 LYS 13 far 0 82 0 - 9.5-13.6 HB2 LYS 33 - HD2 LYS 12 far 0 96 0 - 9.7-13.3 HB3 LEU 14 - HD3 LYS 20 far 0 46 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 542 from cnoeabs.peaks (1.91, 1.70, 28.93 ppm; 2.88 A): 9 out of 69 assignments used, quality = 1.00: * HB3 LYS 13 + HD2 LYS 13 OK 88 100 90 98 2.1-3.6 3.6=52, 513/1.8=14...(80) HB3 LYS 13 + HD3 LYS 13 OK 64 100 65 98 2.2-3.7 3.6=52, 3.0/487=14...(76) HB3 LYS 33 + HD3 LYS 33 OK 49 50 100 97 2.1-2.6 3.5=54, 3.0/1419=24...(43) HB3 LYS 33 + HD2 LYS 33 OK 44 50 90 98 2.3-3.5 3.5=54, ~1420=18...(50) HB2 LYS 33 + HD2 LYS 33 OK 44 50 90 99 2.8-3.7 3.5=54, ~1420=18...(49) HB3 LYS 47 + HD3 LYS 47 OK 34 50 70 98 2.4-4.2 3.9=39, 2154/3.0=13...(103) HB2 LYS 13 + HD2 LYS 13 OK 30 100 30 99 2.5-4.1 3.6=52, 1.8/512=14...(86) HB3 LYS 20 + HD3 LYS 20 OK 27 42 70 92 2.0-3.9 3.5=54, ~848=12, ~883=12...(41) HB2 LYS 20 + HD3 LYS 20 OK 24 37 70 92 2.1-3.9 3.5=54, ~848=12, ~883=12...(44) HB2 LYS 13 - HD3 LYS 13 far 15 100 15 - 2.7-4.2 HB3 LYS 20 - HD2 LYS 20 poor 14 47 30 - 2.4-4.2 HB3 LYS 47 - HD2 LYS 47 poor 10 48 20 - 2.7-3.7 HB2 LYS 33 - HD3 LYS 33 far 7 50 15 - 2.8-3.7 HB2 LYS 20 - HD2 LYS 20 far 6 43 15 - 2.4-4.0 HB3 ARG 19 - HD3 LYS 20 far 5 45 10 - 2.5-6.4 HB2 LYS 20 - HD3 LYS 24 far 0 84 0 - 3.2-9.6 HB2 ARG 19 - HD3 LYS 20 far 0 40 0 - 3.5-7.3 HB3 LYS 20 - HD3 LYS 24 far 0 91 0 - 3.5-9.0 HB3 ARG 19 - HD2 LYS 20 far 0 51 0 - 3.5-5.5 HB2 LYS 20 - HD2 LYS 24 far 0 84 0 - 3.7-8.3 HB2 GLU 17 - HD3 LYS 20 far 0 36 0 - 3.9-7.4 HB3 LYS 20 - HD2 LYS 24 far 0 90 0 - 4.4-7.6 HB2 ARG 19 - HD2 LYS 20 far 0 46 0 - 4.5-6.7 HB2 GLU 17 - HD2 LYS 20 far 0 40 0 - 4.6-7.1 HB2 GLU 43 - HD3 LYS 47 far 0 50 0 - 4.6-7.3 HB2 GLU 43 - HD2 LYS 47 far 0 49 0 - 5.0-7.5 HB2 LYS 94 - HB3 ARG 91 far 0 52 0 - 5.6-7.8 HG3 GLU 88 - HB3 ARG 91 far 0 36 0 - 6.1-6.8 HB2 LYS 94 - HD3 LYS 24 far 0 99 0 - 6.4-10.7 HB2 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.6-8.0 HB2 LYS 94 - HD2 LYS 24 far 0 99 0 - 6.7-11.3 HB3 LEU 14 - HD3 LYS 12 far 0 92 0 - 6.7-8.5 HB3 LEU 14 - HD2 LYS 12 far 0 92 0 - 6.8-9.3 HB2 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.8-8.8 HB3 LEU 14 - HD2 LYS 13 far 0 98 0 - 6.9-8.6 HB3 ARG 19 - HD3 LYS 12 far 0 90 0 - 7.0-11.6 HB2 GLU 17 - HD2 LYS 13 far 0 82 0 - 7.0-10.2 HB2 GLU 17 - HD3 LYS 13 far 0 82 0 - 7.2-10.2 HB3 LEU 14 - HD3 LYS 13 far 0 98 0 - 7.3-8.7 HB VAL 32 - HD3 LYS 33 far 0 36 0 - 7.6-8.2 HB3 ARG 19 - HD2 LYS 12 far 0 90 0 - 7.7-10.7 HB3 LYS 13 - HD2 LYS 20 far 0 57 0 - 7.8-9.2 HB2 ARG 19 - HD3 LYS 24 far 0 88 0 - 7.8-12.5 HB2 ARG 19 - HD2 LYS 24 far 0 88 0 - 7.8-11.5 HB2 ARG 19 - HD3 LYS 12 far 0 83 0 - 7.9-12.5 HB3 LYS 13 - HD3 LYS 20 far 0 51 0 - 8.0-10.6 HB3 LYS 13 - HD3 LYS 12 far 0 96 0 - 8.0-8.7 HB3 ARG 19 - HD3 LYS 24 far 0 95 0 - 8.0-12.6 HB VAL 32 - HD2 LYS 33 far 0 36 0 - 8.0-8.5 HB3 ARG 19 - HD2 LYS 24 far 0 95 0 - 8.1-11.4 HB3 LYS 13 - HD2 LYS 12 far 0 96 0 - 8.2-9.7 HB3 LYS 33 - HD2 LYS 12 far 0 96 0 - 8.3-12.1 HB2 GLU 17 - HD3 LYS 24 far 0 81 0 - 8.5-11.6 HB2 ARG 19 - HD2 LYS 12 far 0 83 0 - 8.6-11.6 HB2 GLU 17 - HB3 ARG 91 far 0 38 0 - 8.7-9.5 HB3 LYS 33 - HD3 LYS 12 far 0 96 0 - 8.7-11.8 HB2 GLU 17 - HD2 LYS 24 far 0 81 0 - 8.8-11.8 HB2 LYS 13 - HD2 LYS 20 far 0 57 0 - 8.9-10.2 HB3 ARG 19 - HD3 LYS 13 far 0 96 0 - 8.9-12.8 HB3 LYS 20 - HD3 LYS 13 far 0 92 0 - 9.1-12.9 HB3 LYS 20 - HD2 LYS 13 far 0 92 0 - 9.2-14.4 HB3 ARG 19 - HD2 LYS 13 far 0 96 0 - 9.2-12.9 HB2 LYS 13 - HD3 LYS 20 far 0 51 0 - 9.3-11.6 HB2 LYS 20 - HD2 LYS 13 far 0 85 0 - 9.3-14.4 HB3 LEU 14 - HD2 LYS 20 far 0 53 0 - 9.4-10.8 HB ILE 8 - HD3 LYS 33 far 0 42 0 - 9.4-10.5 HB2 LYS 20 - HD3 LYS 13 far 0 85 0 - 9.5-13.6 HB2 LYS 33 - HD2 LYS 12 far 0 96 0 - 9.7-13.3 HB3 LEU 14 - HD3 LYS 20 far 0 47 0 - 9.8-12.0 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 35 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 2.3-3.0 3.0=100 HG2 LYS 12 + HD2 LYS 12 OK 90 90 100 100 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 HG3 ARG 91 + HB3 ARG 91 OK 43 43 100 100 2.3-3.0 2.8=100 HG2 LYS 20 + HD2 LYS 20 OK 40 40 100 100 2.2-3.0 2.8=100 HG2 LYS 20 + HD3 LYS 20 OK 36 36 100 100 2.4-2.9 2.8=100 HG2 LYS 20 - HD3 LYS 24 far 0 81 0 - 5.3-10.4 QB ALA 22 - HD3 LYS 20 far 0 50 0 - 5.8-8.6 HG2 LYS 20 - HD2 LYS 24 far 0 81 0 - 5.9-9.0 QB ALA 22 - HD2 LYS 24 far 0 99 0 - 5.9-7.9 QB ALA 22 - HD3 LYS 24 far 0 99 0 - 6.2-8.6 QB ALA 22 - HD2 LYS 20 far 0 56 0 - 6.8-8.7 HG2 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.9-8.9 HG2 LYS 12 - HD3 LYS 33 far 0 45 0 - 7.2-8.9 HG2 LYS 12 - HD2 LYS 13 far 0 96 0 - 7.3-9.6 HG2 LYS 13 - HD2 LYS 12 far 0 96 0 - 7.4-9.5 HG2 LYS 12 - HD3 LYS 13 far 0 96 0 - 7.5-9.9 HG2 LYS 12 - HD2 LYS 33 far 0 45 0 - 7.7-9.9 HG13 ILE 76 - HD2 LYS 47 far 0 49 0 - 7.9-11.4 HG2 LYS 13 - HD2 LYS 20 far 0 57 0 - 7.9-10.6 HG2 LYS 20 - HD3 LYS 13 far 0 82 0 - 8.1-13.0 HG2 LYS 13 - HD3 LYS 20 far 0 51 0 - 8.5-12.2 HG13 ILE 76 - HD3 LYS 47 far 0 51 0 - 8.7-11.2 HG13 ILE 52 - HD3 LYS 47 far 0 37 0 - 8.7-11.3 HG2 LYS 20 - HD2 LYS 13 far 0 82 0 - 8.7-13.4 HB2 LEU 27 - HD2 LYS 24 far 0 81 0 - 8.8-11.3 HG2 LYS 12 - HD2 LYS 20 far 0 51 0 - 8.9-11.4 HG2 LYS 12 - HD3 LYS 20 far 0 45 0 - 9.0-13.0 HG LEU 29 - HD3 LYS 20 far 0 50 0 - 9.3-12.8 HD3 LYS 40 - HD2 LYS 33 far 0 27 0 - 9.3-11.7 HB2 LEU 27 - HD3 LYS 24 far 0 81 0 - 9.4-11.8 HG2 LYS 20 - HD2 LYS 12 far 0 75 0 - 9.4-13.7 HG2 LYS 20 - HD3 LYS 12 far 0 75 0 - 9.7-14.1 HD2 LYS 40 - HD2 LYS 33 far 0 28 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 544 from cnoeabs.peaks (1.50, 1.70, 28.93 ppm; 2.51 A): 8 out of 28 assignments used, quality = 1.00: HG3 LYS 13 + HD3 LYS 13 OK 64 100 70 91 2.3-3.0 3.0=62, 1.8/524=10...(35) * HG3 LYS 13 + HD2 LYS 13 OK 60 100 65 92 2.3-3.0 3.0=62, 1.8/524=10...(36) HG3 LYS 24 + HD2 LYS 24 OK 58 97 65 91 2.3-3.0 3.0=62, 1096/4.9=12...(41) HG3 LYS 24 + HD3 LYS 24 OK 54 98 60 92 2.3-3.0 3.0=62, 1096/4.9=12...(46) 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 93 2.3-2.6 3.0=60, 12088/12090=9...(64) HG3 LYS 33 + HD3 LYS 33 OK 40 49 90 91 2.3-3.0 3.0=61, 1418/1419=16...(39) HG2 LYS 47 + HD2 LYS 47 OK 25 49 55 94 2.3-3.0 3.0=60, 3267/1.8=13...(67) HG3 LYS 33 - HD2 LYS 33 far 5 49 10 - 2.7-3.0 HG3 LYS 13 - HD3 LYS 12 far 0 96 0 - 5.8-7.4 HB2 LEU 14 - HD2 LYS 13 far 0 85 0 - 6.2-8.2 HB2 LEU 14 - HD3 LYS 13 far 0 85 0 - 6.4-8.4 HG3 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.5-8.1 HG3 LYS 24 - HD3 LYS 20 far 0 48 0 - 7.0-12.0 HG3 LYS 24 - HD2 LYS 20 far 0 54 0 - 7.5-11.1 HG3 LYS 33 - HD2 LYS 12 far 0 95 0 - 7.6-10.8 HG LEU 57 - HB3 ARG 91 far 0 54 0 - 8.0-8.4 HG3 LYS 33 - HD3 LYS 12 far 0 95 0 - 8.1-10.5 HB2 LEU 14 - HD2 LYS 12 far 0 78 0 - 8.1-10.7 HB2 LEU 14 - HD3 LYS 12 far 0 78 0 - 8.2-9.7 HG3 LYS 13 - HD2 LYS 20 far 0 57 0 - 8.6-10.1 HG3 LYS 13 - HD3 LYS 20 far 0 51 0 - 8.7-11.5 HD3 LYS 40 - HD2 LYS 33 far 0 30 0 - 9.3-11.7 HB2 LEU 14 - HD2 LYS 20 far 0 43 0 - 9.4-11.0 HB2 LEU 14 - HD3 LYS 20 far 0 37 0 - 9.7-12.0 HD2 LYS 40 - HD2 LYS 33 far 0 29 0 - 9.7-11.9 HB ILE 7 - HD3 LYS 12 far 0 78 0 - 9.9-12.6 HB ILE 7 - HD3 LYS 20 far 0 37 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 545 from cnoeabs.peaks (1.70, 1.70, 28.93 ppm; diagonal): 13 out of 13 assignments used, quality = 1.00: * HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 24 + HD2 LYS 24 OK 99 99 - 100 HD3 LYS 12 + HD3 LYS 12 OK 96 96 - 100 HD2 LYS 12 + HD2 LYS 12 OK 96 96 - 100 HB3 ARG 91 + HB3 ARG 91 OK 46 46 - 100 HD2 LYS 20 + HD2 LYS 20 OK 45 45 - 100 HD3 LYS 47 + HD3 LYS 47 OK 44 44 - 100 HD2 LYS 47 + HD2 LYS 47 OK 42 42 - 100 HD2 LYS 33 + HD2 LYS 33 OK 38 38 - 100 HD3 LYS 33 + HD3 LYS 33 OK 38 38 - 100 HD3 LYS 20 + HD3 LYS 20 OK 36 36 - 100 Peak 546 from cnoeabs.peaks (1.70, 1.70, 28.93 ppm; diagonal): 13 out of 13 assignments used, quality = 1.00: HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 99 99 - 100 HD2 LYS 24 + HD2 LYS 24 OK 99 99 - 100 HD3 LYS 12 + HD3 LYS 12 OK 96 96 - 100 HD2 LYS 12 + HD2 LYS 12 OK 96 96 - 100 HB3 ARG 91 + HB3 ARG 91 OK 45 45 - 100 HD2 LYS 20 + HD2 LYS 20 OK 43 43 - 100 HD3 LYS 47 + HD3 LYS 47 OK 42 42 - 100 HD2 LYS 47 + HD2 LYS 47 OK 40 40 - 100 HD2 LYS 33 + HD2 LYS 33 OK 39 39 - 100 HD3 LYS 33 + HD3 LYS 33 OK 39 39 - 100 HD3 LYS 20 + HD3 LYS 20 OK 35 35 - 100 Reference assignment not found: HD3 LYS 13 - HD2 LYS 13 Peak 547 from cnoeabs.peaks (2.96, 1.70, 28.93 ppm; 2.88 A): 14 out of 62 assignments used, quality = 1.00: HE3 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=94, 474/3.0=13...(64) HE2 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=94, 474/3.0=12...(64) * HE2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.5-3.0 2.9=94, 474/3.0=12...(64) HE3 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.5-3.0 2.9=94, 474/3.0=13...(64) HE2 LYS 24 + HD3 LYS 24 OK 98 100 100 99 2.3-3.0 3.0=91, 1143/3.0=9...(75) HE3 LYS 24 + HD3 LYS 24 OK 98 100 100 99 2.4-3.0 3.0=91, 475/3.0=8...(75) HE3 LYS 24 + HD2 LYS 24 OK 98 99 100 99 2.3-3.0 3.0=91, 475/3.0=8...(75) HE2 LYS 24 + HD2 LYS 24 OK 98 99 100 98 2.4-3.0 3.0=91, 1143/3.0=9...(75) HE3 LYS 12 + HD3 LYS 12 OK 94 95 100 99 2.3-3.0 3.0=90, ~463=19, ~464=19...(38) HE3 LYS 12 + HD2 LYS 12 OK 94 95 100 99 2.3-3.0 3.0=90, ~463=19, ~464=19...(38) HE2 LYS 47 + HD3 LYS 47 OK 47 47 100 99 2.3-3.0 3.0=91, 2155/3.9=9...(87) HE3 LYS 47 + HD3 LYS 47 OK 47 47 100 99 2.3-3.0 3.0=91, 2154/3.9=10...(82) HE3 LYS 47 + HD2 LYS 47 OK 45 46 100 99 2.3-3.0 3.0=91, 2155/3.9=10...(82) HE2 LYS 47 + HD2 LYS 47 OK 45 46 100 99 2.3-3.0 3.0=91, 2154/3.9=9...(87) HB3 ASP 11 - HD2 LYS 13 far 0 70 0 - 4.4-7.2 HE3 LYS 90 - HD3 LYS 20 far 0 38 0 - 4.4-8.4 HG2 MET 21 - HD3 LYS 24 far 0 91 0 - 5.1-8.0 HG2 MET 21 - HD2 LYS 24 far 0 90 0 - 5.5-8.4 HE3 LYS 90 - HD2 LYS 20 far 0 44 0 - 5.6-8.5 HB3 ASP 11 - HD3 LYS 12 far 0 63 0 - 5.6-8.1 HB3 ASP 11 - HD3 LYS 13 far 0 69 0 - 5.6-7.5 HB3 ASP 11 - HD2 LYS 12 far 0 63 0 - 5.6-8.7 HE3 LYS 24 - HD3 LYS 20 far 0 51 0 - 5.8-12.5 HE3 LYS 12 - HD3 LYS 33 far 0 49 0 - 5.8-9.2 HB2 ASN 10 - HD2 LYS 12 far 0 66 0 - 5.9-11.0 HG2 MET 21 - HD3 LYS 20 far 0 42 0 - 6.0-9.1 HE2 LYS 24 - HD3 LYS 20 far 0 51 0 - 6.1-12.3 HB2 SER 9 - HD2 LYS 12 far 0 68 0 - 6.1-11.1 HB2 SER 9 - HD3 LYS 12 far 0 68 0 - 6.2-9.5 HB2 ASN 10 - HD3 LYS 12 far 0 66 0 - 6.4-10.1 HE3 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.5-10.7 HE2 LYS 13 - HD2 LYS 20 far 0 57 0 - 6.5-12.1 HG2 MET 21 - HB3 ARG 91 far 0 45 0 - 6.9-7.5 HE3 LYS 24 - HD2 LYS 20 far 0 57 0 - 6.9-12.0 HE3 LYS 12 - HD2 LYS 33 far 0 49 0 - 6.9-10.5 HG2 MET 21 - HD2 LYS 20 far 0 47 0 - 6.9-9.4 HE3 LYS 90 - HD2 LYS 24 far 0 85 0 - 7.1-11.6 HE3 LYS 13 - HD2 LYS 12 far 0 96 0 - 7.1-11.2 HB2 PHE 45 - HD3 LYS 47 far 0 40 0 - 7.2-8.6 HE2 LYS 13 - HD2 LYS 12 far 0 96 0 - 7.2-12.0 HE3 LYS 90 - HD3 LYS 24 far 0 86 0 - 7.3-10.7 HE3 LYS 12 - HD3 LYS 13 far 0 100 0 - 7.3-11.8 HB3 PHE 45 - HD3 LYS 47 far 0 51 0 - 7.3-9.1 HE3 LYS 90 - HB3 ARG 91 far 0 41 0 - 7.4-8.9 HE2 LYS 13 - HD3 LYS 12 far 0 96 0 - 7.5-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 57 0 - 7.5-11.7 HE2 LYS 13 - HD3 LYS 20 far 0 51 0 - 7.5-13.3 HB2 ASN 10 - HD3 LYS 33 far 0 30 0 - 7.5-8.6 HE3 LYS 13 - HD2 LYS 20 far 0 57 0 - 7.5-11.8 HE3 LYS 13 - HD3 LYS 20 far 0 51 0 - 7.6-13.1 HE3 LYS 12 - HD2 LYS 13 far 0 100 0 - 7.7-11.9 HE3 LYS 90 - HD2 LYS 13 far 0 87 0 - 7.7-13.0 HB2 PHE 45 - HD2 LYS 47 far 0 39 0 - 7.8-9.3 HB2 SER 9 - HD3 LYS 33 far 0 31 0 - 8.0-10.0 HE3 LYS 90 - HD3 LYS 13 far 0 87 0 - 8.0-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 56 0 - 8.1-13.3 HB3 PHE 45 - HD2 LYS 47 far 0 49 0 - 8.2-9.6 HE3 LYS 12 - HD3 LYS 20 far 0 50 0 - 8.2-14.3 HB2 ASN 10 - HD2 LYS 33 far 0 30 0 - 8.6-9.8 HB2 SER 9 - HD2 LYS 33 far 0 31 0 - 9.3-10.8 HB2 SER 9 - HD2 LYS 13 far 0 75 0 - 9.5-12.2 HB2 ASN 10 - HD2 LYS 13 far 0 73 0 - 10.0-12.7 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 65 assignments used, quality = 1.00: * HE3 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=94, 474/3.0=13...(64) HE2 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=94, 474/3.0=12...(64) HE3 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.5-3.0 2.9=94, 474/3.0=13...(64) HE2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.5-3.0 2.9=94, 474/3.0=12...(64) HE2 LYS 24 + HD3 LYS 24 OK 98 100 100 99 2.3-3.0 3.0=91, 1143/3.0=9...(75) HE3 LYS 24 + HD3 LYS 24 OK 98 100 100 99 2.4-3.0 3.0=91, 475/3.0=8...(75) HE3 LYS 24 + HD2 LYS 24 OK 98 99 100 99 2.3-3.0 3.0=91, 475/3.0=8...(75) HE2 LYS 24 + HD2 LYS 24 OK 98 99 100 98 2.4-3.0 3.0=91, 1143/3.0=9...(75) HE3 LYS 12 + HD3 LYS 12 OK 94 95 100 99 2.3-3.0 3.0=90, ~463=19, ~464=19...(38) HE3 LYS 12 + HD2 LYS 12 OK 94 95 100 99 2.3-3.0 3.0=90, ~463=19, ~464=19...(38) HE2 LYS 47 + HD3 LYS 47 OK 46 46 100 99 2.3-3.0 3.0=91, 2155/3.9=9...(87) HE3 LYS 47 + HD3 LYS 47 OK 45 46 100 99 2.3-3.0 3.0=91, 2154/3.9=9...(82) HE3 LYS 47 + HD2 LYS 47 OK 44 45 100 99 2.3-3.0 3.0=91, 2154/3.9=9...(82) HE2 LYS 47 + HD2 LYS 47 OK 44 45 100 99 2.3-3.0 3.0=91, 2154/3.9=9...(87) HB3 ASP 11 - HD2 LYS 13 far 0 65 0 - 4.4-7.2 HE3 LYS 90 - HD3 LYS 20 far 0 40 0 - 4.4-8.4 HG2 MET 21 - HD3 LYS 24 far 0 93 0 - 5.1-8.0 HE2 LYS 94 - HB3 ARG 91 far 0 27 0 - 5.1-10.1 HG2 MET 21 - HD2 LYS 24 far 0 92 0 - 5.5-8.4 HE3 LYS 90 - HD2 LYS 20 far 0 46 0 - 5.6-8.5 HB3 ASP 11 - HD3 LYS 12 far 0 59 0 - 5.6-8.1 HB3 ASP 11 - HD3 LYS 13 far 0 65 0 - 5.6-7.5 HB3 ASP 11 - HD2 LYS 12 far 0 59 0 - 5.6-8.7 HE2 LYS 94 - HD3 LYS 24 far 0 60 0 - 5.7-12.3 HE3 LYS 24 - HD3 LYS 20 far 0 50 0 - 5.8-12.5 HE3 LYS 12 - HD3 LYS 33 far 0 49 0 - 5.8-9.2 HB2 ASN 10 - HD2 LYS 12 far 0 70 0 - 5.9-11.0 HG2 MET 21 - HD3 LYS 20 far 0 43 0 - 6.0-9.1 HE2 LYS 24 - HD3 LYS 20 far 0 50 0 - 6.1-12.3 HB2 SER 9 - HD2 LYS 12 far 0 65 0 - 6.1-11.1 HB2 SER 9 - HD3 LYS 12 far 0 65 0 - 6.2-9.5 HB2 ASN 10 - HD3 LYS 12 far 0 70 0 - 6.4-10.1 HE3 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.5-10.7 HE2 LYS 13 - HD2 LYS 20 far 0 57 0 - 6.5-12.1 HG2 MET 21 - HB3 ARG 91 far 0 46 0 - 6.9-7.5 HE3 LYS 24 - HD2 LYS 20 far 0 57 0 - 6.9-12.0 HE3 LYS 12 - HD2 LYS 33 far 0 49 0 - 6.9-10.5 HG2 MET 21 - HD2 LYS 20 far 0 49 0 - 6.9-9.4 HE2 LYS 94 - HD2 LYS 24 far 0 60 0 - 6.9-12.9 HE3 LYS 90 - HD2 LYS 24 far 0 88 0 - 7.1-11.6 HE3 LYS 13 - HD2 LYS 12 far 0 96 0 - 7.1-11.2 HB2 PHE 45 - HD3 LYS 47 far 0 38 0 - 7.2-8.6 HE2 LYS 13 - HD2 LYS 12 far 0 96 0 - 7.2-12.0 HE3 LYS 90 - HD3 LYS 24 far 0 88 0 - 7.3-10.7 HE3 LYS 12 - HD3 LYS 13 far 0 100 0 - 7.3-11.8 HB3 PHE 45 - HD3 LYS 47 far 0 50 0 - 7.3-9.1 HE3 LYS 90 - HB3 ARG 91 far 0 43 0 - 7.4-8.9 HE2 LYS 13 - HD3 LYS 12 far 0 96 0 - 7.5-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 57 0 - 7.5-11.7 HE2 LYS 13 - HD3 LYS 20 far 0 51 0 - 7.5-13.3 HB2 ASN 10 - HD3 LYS 33 far 0 32 0 - 7.5-8.6 HE3 LYS 13 - HD2 LYS 20 far 0 57 0 - 7.5-11.8 HE3 LYS 13 - HD3 LYS 20 far 0 51 0 - 7.6-13.1 HE3 LYS 12 - HD2 LYS 13 far 0 100 0 - 7.7-11.9 HE3 LYS 90 - HD2 LYS 13 far 0 90 0 - 7.7-13.0 HB2 PHE 45 - HD2 LYS 47 far 0 37 0 - 7.8-9.3 HB2 SER 9 - HD3 LYS 33 far 0 29 0 - 8.0-10.0 HE3 LYS 90 - HD3 LYS 13 far 0 89 0 - 8.0-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 56 0 - 8.1-13.3 HB3 PHE 45 - HD2 LYS 47 far 0 48 0 - 8.2-9.6 HE3 LYS 12 - HD3 LYS 20 far 0 49 0 - 8.2-14.3 HB2 ASN 10 - HD2 LYS 33 far 0 32 0 - 8.6-9.8 HB2 SER 9 - HD2 LYS 33 far 0 29 0 - 9.3-10.8 HB2 SER 9 - HD2 LYS 13 far 0 71 0 - 9.5-12.2 HB2 ASN 10 - HD2 LYS 13 far 0 77 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 549 from cnoeabs.peaks (7.55, 1.70, 28.93 ppm; 5.02 A increased from 4.46 A): 5 out of 13 assignments used, quality = 0.99: H LYS 24 + HD2 LYS 24 OK 89 89 100 100 2.4-5.1 1061/3.6=72, 6386/3.0=71...(21) H LYS 24 + HD3 LYS 24 OK 76 90 85 100 3.1-5.8 1061/3.6=72, 6386/3.0=71...(23) * H LEU 14 + HD2 LYS 13 OK 54 100 55 99 5.0-6.3 6191/3.0=68, 6182/6.0=50...(10) H GLU 88 + HB3 ARG 91 OK 34 46 75 99 5.1-5.5 3.0/3871=61, ~4024=59...(16) H LEU 14 + HD3 LYS 13 OK 25 100 25 99 5.1-6.3 6191/3.0=68, 6182/6.0=50...(10) H LEU 14 - HD3 LYS 12 far 0 96 0 - 6.0-7.1 H LEU 14 - HD2 LYS 12 far 0 96 0 - 6.1-8.2 H LYS 24 - HD3 LYS 20 far 0 41 0 - 6.7-9.4 H LYS 24 - HD2 LYS 20 far 0 46 0 - 8.3-9.5 H LEU 14 - HD2 LYS 20 far 0 57 0 - 8.3-9.7 H LEU 14 - HD3 LYS 20 far 0 51 0 - 8.7-10.7 H LEU 38 - HD2 LYS 33 far 0 40 0 - 9.1-9.6 H LEU 38 - HD3 LYS 33 far 0 40 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 550 from cnoeabs.peaks (8.07, 1.70, 28.93 ppm; 5.03 A increased from 4.24 A): 8 out of 26 assignments used, quality = 1.00: * H LYS 13 + HD3 LYS 13 OK 100 100 100 100 4.0-5.2 6175/3.6=92, 6177/3.0=89...(30) H LYS 13 + HD2 LYS 13 OK 100 100 100 100 3.6-5.2 6175/3.6=92, 6177/3.0=89...(30) H LYS 13 + HD3 LYS 12 OK 52 96 55 99 4.5-5.6 6166/3.6=87, 6168/3.0=61...(8) H GLU 17 + HD2 LYS 20 OK 46 49 100 94 3.4-5.0 6250/12058=70...(20) H LYS 13 + HD2 LYS 12 OK 38 96 40 99 4.7-6.6 6166/3.6=87, 6168/3.0=61...(8) H LYS 90 + HB3 ARG 91 OK 31 34 100 93 4.8-5.0 7431/7438=72...(5) H ILE 15 + HD3 LYS 12 OK 30 96 40 79 5.0-6.8 6206/5.2=57...(3) H GLU 17 + HD3 LYS 20 OK 25 43 80 73 4.1-6.1 ~916=17, ~905=17...(16) H GLU 17 - HD3 LYS 13 far 10 98 10 - 5.1-8.3 H ILE 15 - HD2 LYS 12 far 10 96 10 - 5.3-7.0 H GLU 17 - HD2 LYS 13 far 5 98 5 - 5.2-8.5 H ILE 15 - HD2 LYS 13 far 0 100 0 - 6.3-8.2 H ILE 15 - HD3 LYS 13 far 0 100 0 - 6.4-8.1 H GLU 17 - HD3 LYS 12 far 0 92 0 - 7.0-10.0 H ILE 15 - HD2 LYS 20 far 0 53 0 - 7.4-8.6 H GLU 17 - HD2 LYS 12 far 0 92 0 - 7.5-9.9 H LYS 90 - HD3 LYS 20 far 0 30 0 - 8.0-10.9 H ILE 15 - HD3 LYS 20 far 0 46 0 - 8.2-10.0 H LYS 90 - HD2 LYS 20 far 0 35 0 - 8.5-10.9 H LYS 13 - HD2 LYS 20 far 0 53 0 - 8.6-9.8 H LYS 13 - HD3 LYS 20 far 0 46 0 - 9.2-11.1 H LYS 90 - HD3 LYS 24 far 0 77 0 - 9.4-12.5 H ILE 15 - HD3 LYS 33 far 0 54 0 - 9.7-11.6 H GLU 17 - HD2 LYS 24 far 0 96 0 - 9.9-12.4 H GLU 17 - HD3 LYS 24 far 0 96 0 - 9.9-13.5 H LYS 90 - HD2 LYS 24 far 0 76 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 551 from cnoeabs.peaks (4.15, 1.70, 28.93 ppm; 4.40 A increased from 3.70 A): 3 out of 16 assignments used, quality = 1.00: * HA LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.1-4.4 486/3.0=81, 518/3.0=72...(61) HA LYS 13 + HD2 LYS 13 OK 95 100 95 100 2.0-4.7 486/3.0=81, 518/3.0=72...(61) HA LYS 47 + HD3 LYS 47 OK 32 46 70 100 3.8-4.9 5.1=64, 2126/3.0=54...(88) HA LYS 47 - HD2 LYS 47 poor 20 44 45 - 2.2-5.0 HA GLU 23 - HD2 LYS 24 far 0 98 0 - 4.8-8.4 HA LYS 13 - HD3 LYS 12 far 0 96 0 - 5.8-7.0 HA GLU 23 - HD3 LYS 24 far 0 98 0 - 6.1-9.0 HA LYS 13 - HD2 LYS 12 far 0 96 0 - 6.1-7.9 HA LYS 13 - HD2 LYS 20 far 0 53 0 - 6.2-7.4 HA LYS 13 - HD3 LYS 20 far 0 46 0 - 6.7-8.8 HA GLU 23 - HD3 LYS 20 far 0 45 0 - 7.9-10.7 HB3 SER 85 - HB3 ARG 91 far 0 27 0 - 8.0-9.4 HB3 SER 85 - HD3 LYS 13 far 0 65 0 - 9.3-12.1 HB3 SER 85 - HD2 LYS 13 far 0 65 0 - 9.3-11.5 HA GLU 23 - HD2 LYS 20 far 0 51 0 - 9.6-10.7 HA GLU 98 - HD3 LYS 24 far 0 69 0 - 9.6-15.3 Violated in 0 structures by 0.00 A. Peak 552 from cnoeabs.peaks (1.92, 1.70, 28.93 ppm; 2.88 A): 9 out of 69 assignments used, quality = 1.00: HB3 LYS 13 + HD2 LYS 13 OK 88 100 90 98 2.1-3.6 3.6=52, 513/1.8=14...(80) HB3 LYS 13 + HD3 LYS 13 OK 64 100 65 98 2.2-3.7 3.6=52, 3.0/488=14...(76) HB3 LYS 33 + HD3 LYS 33 OK 52 54 100 97 2.1-2.6 3.5=54, 3.0/1419=25...(43) HB2 LYS 33 + HD2 LYS 33 OK 48 54 90 99 2.8-3.7 3.5=54, ~1420=18...(49) HB3 LYS 33 + HD2 LYS 33 OK 48 54 90 98 2.3-3.5 3.5=54, ~1420=18...(50) HB3 LYS 47 + HD3 LYS 47 OK 32 47 70 98 2.4-4.2 3.9=39, 2154/3.0=13...(103) HB2 LYS 13 + HD2 LYS 13 OK 30 100 30 99 2.5-4.1 3.6=52, 1.8/513=14...(86) HB3 LYS 20 + HD3 LYS 20 OK 26 39 70 92 2.0-3.9 3.5=54, ~848=12, ~883=12...(41) HB2 LYS 20 + HD3 LYS 20 OK 21 32 70 92 2.1-3.9 3.5=54, ~848=12, ~883=12...(44) ! HB2 LYS 13 - HD3 LYS 13 far 15 100 15 - 2.7-4.2 HB3 LYS 20 - HD2 LYS 20 poor 14 45 30 - 2.4-4.2 HB3 LYS 47 - HD2 LYS 47 poor 9 45 20 - 2.7-3.7 HB2 LYS 33 - HD3 LYS 33 far 8 54 15 - 2.8-3.7 HB2 LYS 20 - HD2 LYS 20 far 6 37 15 - 2.4-4.0 HB3 ARG 19 - HD3 LYS 20 far 4 43 10 - 2.5-6.4 HB2 LYS 20 - HD3 LYS 24 far 0 80 0 - 3.2-9.6 HB2 ARG 19 - HD3 LYS 20 far 0 35 0 - 3.5-7.3 HB3 LYS 20 - HD3 LYS 24 far 0 92 0 - 3.5-9.0 HB3 ARG 19 - HD2 LYS 20 far 0 49 0 - 3.5-5.5 HB2 LYS 20 - HD2 LYS 24 far 0 79 0 - 3.7-8.3 HB2 GLU 17 - HD3 LYS 20 far 0 34 0 - 3.9-7.4 HB3 LYS 20 - HD2 LYS 24 far 0 91 0 - 4.4-7.6 HB2 ARG 19 - HD2 LYS 20 far 0 40 0 - 4.5-6.7 HB2 GLU 17 - HD2 LYS 20 far 0 39 0 - 4.6-7.1 HB2 GLU 43 - HD3 LYS 47 far 0 46 0 - 4.6-7.3 HB2 GLU 43 - HD2 LYS 47 far 0 45 0 - 5.0-7.5 HB2 LYS 94 - HB3 ARG 91 far 0 50 0 - 5.6-7.8 HG3 GLU 88 - HB3 ARG 91 far 0 36 0 - 6.1-6.8 HB2 LYS 94 - HD3 LYS 24 far 0 99 0 - 6.4-10.7 HB2 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.6-8.0 HB2 LYS 94 - HD2 LYS 24 far 0 98 0 - 6.7-11.3 HB3 LEU 14 - HD3 LYS 12 far 0 91 0 - 6.7-8.5 HB3 LEU 14 - HD2 LYS 12 far 0 91 0 - 6.8-9.3 HB2 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.8-8.8 HB3 LEU 14 - HD2 LYS 13 far 0 97 0 - 6.9-8.6 HB3 ARG 19 - HD3 LYS 12 far 0 92 0 - 7.0-11.6 HB2 GLU 17 - HD2 LYS 13 far 0 85 0 - 7.0-10.2 HB2 GLU 17 - HD3 LYS 13 far 0 85 0 - 7.2-10.2 HB3 LEU 14 - HD3 LYS 13 far 0 97 0 - 7.3-8.7 HB VAL 32 - HD3 LYS 33 far 0 41 0 - 7.6-8.2 HB3 ARG 19 - HD2 LYS 12 far 0 92 0 - 7.7-10.7 HB3 LYS 13 - HD2 LYS 20 far 0 53 0 - 7.8-9.2 HB2 ARG 19 - HD3 LYS 24 far 0 85 0 - 7.8-12.5 HB2 ARG 19 - HD2 LYS 24 far 0 84 0 - 7.8-11.5 HB2 ARG 19 - HD3 LYS 12 far 0 80 0 - 7.9-12.5 HB3 LYS 13 - HD3 LYS 20 far 0 46 0 - 8.0-10.6 HB3 LYS 13 - HD3 LYS 12 far 0 96 0 - 8.0-8.7 HB3 ARG 19 - HD3 LYS 24 far 0 96 0 - 8.0-12.6 HB VAL 32 - HD2 LYS 33 far 0 41 0 - 8.0-8.5 HB3 ARG 19 - HD2 LYS 24 far 0 95 0 - 8.1-11.4 HB3 LYS 13 - HD2 LYS 12 far 0 96 0 - 8.2-9.7 HB3 LYS 33 - HD2 LYS 12 far 0 96 0 - 8.3-12.1 HB2 GLU 17 - HD3 LYS 24 far 0 83 0 - 8.5-11.6 HB2 ARG 19 - HD2 LYS 12 far 0 80 0 - 8.6-11.6 HB2 GLU 17 - HB3 ARG 91 far 0 38 0 - 8.7-9.5 HB3 LYS 33 - HD3 LYS 12 far 0 96 0 - 8.7-11.8 HB2 GLU 17 - HD2 LYS 24 far 0 82 0 - 8.8-11.8 HB2 LYS 13 - HD2 LYS 20 far 0 53 0 - 8.9-10.2 HB3 ARG 19 - HD3 LYS 13 far 0 98 0 - 8.9-12.8 HB3 LYS 20 - HD3 LYS 13 far 0 94 0 - 9.1-12.9 HB3 LYS 20 - HD2 LYS 13 far 0 94 0 - 9.2-14.4 HB3 ARG 19 - HD2 LYS 13 far 0 97 0 - 9.2-12.9 HB2 LYS 13 - HD3 LYS 20 far 0 46 0 - 9.3-11.6 HB2 LYS 20 - HD2 LYS 13 far 0 82 0 - 9.3-14.4 HB3 LEU 14 - HD2 LYS 20 far 0 48 0 - 9.4-10.8 HB ILE 8 - HD3 LYS 33 far 0 44 0 - 9.4-10.5 HB2 LYS 20 - HD3 LYS 13 far 0 82 0 - 9.5-13.6 HB2 LYS 33 - HD2 LYS 12 far 0 96 0 - 9.7-13.3 HB3 LEU 14 - HD3 LYS 20 far 0 42 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 553 from cnoeabs.peaks (1.91, 1.70, 28.93 ppm; 2.88 A): 9 out of 69 assignments used, quality = 1.00: HB3 LYS 13 + HD2 LYS 13 OK 88 100 90 98 2.1-3.6 3.6=52, 513/1.8=14...(80) * HB3 LYS 13 + HD3 LYS 13 OK 64 100 65 98 2.2-3.7 3.6=52, 3.0/488=14...(76) HB3 LYS 33 + HD3 LYS 33 OK 52 54 100 97 2.1-2.6 3.5=54, 3.0/1419=25...(43) HB3 LYS 33 + HD2 LYS 33 OK 48 54 90 98 2.3-3.5 3.5=54, ~1420=18...(50) HB2 LYS 33 + HD2 LYS 33 OK 47 54 90 99 2.8-3.7 3.5=54, ~1420=18...(49) HB3 LYS 47 + HD3 LYS 47 OK 32 46 70 98 2.4-4.2 3.9=39, 2154/3.0=13...(103) HB2 LYS 13 + HD2 LYS 13 OK 30 100 30 99 2.5-4.1 3.6=52, 1.8/513=14...(86) HB3 LYS 20 + HD3 LYS 20 OK 25 38 70 92 2.0-3.9 3.5=54, ~848=12, ~883=12...(41) HB2 LYS 20 + HD3 LYS 20 OK 22 34 70 92 2.1-3.9 3.5=54, ~848=12, ~883=12...(44) HB2 LYS 13 - HD3 LYS 13 far 15 100 15 - 2.7-4.2 HB3 LYS 20 - HD2 LYS 20 poor 13 44 30 - 2.4-4.2 HB3 LYS 47 - HD2 LYS 47 poor 9 45 20 - 2.7-3.7 HB2 LYS 33 - HD3 LYS 33 far 8 54 15 - 2.8-3.7 HB2 LYS 20 - HD2 LYS 20 far 6 39 15 - 2.4-4.0 HB3 ARG 19 - HD3 LYS 20 far 4 41 10 - 2.5-6.4 HB2 LYS 20 - HD3 LYS 24 far 0 83 0 - 3.2-9.6 HB2 ARG 19 - HD3 LYS 20 far 0 36 0 - 3.5-7.3 HB3 LYS 20 - HD3 LYS 24 far 0 90 0 - 3.5-9.0 HB3 ARG 19 - HD2 LYS 20 far 0 47 0 - 3.5-5.5 HB2 LYS 20 - HD2 LYS 24 far 0 82 0 - 3.7-8.3 HB2 GLU 17 - HD3 LYS 20 far 0 32 0 - 3.9-7.4 HB3 LYS 20 - HD2 LYS 24 far 0 89 0 - 4.4-7.6 HB2 ARG 19 - HD2 LYS 20 far 0 42 0 - 4.5-6.7 HB2 GLU 17 - HD2 LYS 20 far 0 37 0 - 4.6-7.1 HB2 GLU 43 - HD3 LYS 47 far 0 47 0 - 4.6-7.3 HB2 GLU 43 - HD2 LYS 47 far 0 45 0 - 5.0-7.5 HB2 LYS 94 - HB3 ARG 91 far 0 49 0 - 5.6-7.8 HG3 GLU 88 - HB3 ARG 91 far 0 34 0 - 6.1-6.8 HB2 LYS 94 - HD3 LYS 24 far 0 98 0 - 6.4-10.7 HB2 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.6-8.0 HB2 LYS 94 - HD2 LYS 24 far 0 98 0 - 6.7-11.3 HB3 LEU 14 - HD3 LYS 12 far 0 92 0 - 6.7-8.5 HB3 LEU 14 - HD2 LYS 12 far 0 92 0 - 6.8-9.3 HB2 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.8-8.8 HB3 LEU 14 - HD2 LYS 13 far 0 98 0 - 6.9-8.6 HB3 ARG 19 - HD3 LYS 12 far 0 90 0 - 7.0-11.6 HB2 GLU 17 - HD2 LYS 13 far 0 82 0 - 7.0-10.2 HB2 GLU 17 - HD3 LYS 13 far 0 82 0 - 7.2-10.2 HB3 LEU 14 - HD3 LYS 13 far 0 98 0 - 7.3-8.7 HB VAL 32 - HD3 LYS 33 far 0 39 0 - 7.6-8.2 HB3 ARG 19 - HD2 LYS 12 far 0 90 0 - 7.7-10.7 HB3 LYS 13 - HD2 LYS 20 far 0 53 0 - 7.8-9.2 HB2 ARG 19 - HD3 LYS 24 far 0 87 0 - 7.8-12.5 HB2 ARG 19 - HD2 LYS 24 far 0 87 0 - 7.8-11.5 HB2 ARG 19 - HD3 LYS 12 far 0 82 0 - 7.9-12.5 HB3 LYS 13 - HD3 LYS 20 far 0 46 0 - 8.0-10.6 HB3 LYS 13 - HD3 LYS 12 far 0 96 0 - 8.0-8.7 HB3 ARG 19 - HD3 LYS 24 far 0 95 0 - 8.0-12.6 HB VAL 32 - HD2 LYS 33 far 0 39 0 - 8.0-8.5 HB3 ARG 19 - HD2 LYS 24 far 0 94 0 - 8.1-11.4 HB3 LYS 13 - HD2 LYS 12 far 0 96 0 - 8.2-9.7 HB3 LYS 33 - HD2 LYS 12 far 0 96 0 - 8.3-12.1 HB2 GLU 17 - HD3 LYS 24 far 0 80 0 - 8.5-11.6 HB2 ARG 19 - HD2 LYS 12 far 0 82 0 - 8.6-11.6 HB2 GLU 17 - HB3 ARG 91 far 0 36 0 - 8.7-9.5 HB3 LYS 33 - HD3 LYS 12 far 0 96 0 - 8.7-11.8 HB2 GLU 17 - HD2 LYS 24 far 0 79 0 - 8.8-11.8 HB2 LYS 13 - HD2 LYS 20 far 0 53 0 - 8.9-10.2 HB3 ARG 19 - HD3 LYS 13 far 0 96 0 - 8.9-12.8 HB3 LYS 20 - HD3 LYS 13 far 0 92 0 - 9.1-12.9 HB3 LYS 20 - HD2 LYS 13 far 0 92 0 - 9.2-14.4 HB3 ARG 19 - HD2 LYS 13 far 0 96 0 - 9.2-12.9 HB2 LYS 13 - HD3 LYS 20 far 0 46 0 - 9.3-11.6 HB2 LYS 20 - HD2 LYS 13 far 0 85 0 - 9.3-14.4 HB3 LEU 14 - HD2 LYS 20 far 0 49 0 - 9.4-10.8 HB ILE 8 - HD3 LYS 33 far 0 45 0 - 9.4-10.5 HB2 LYS 20 - HD3 LYS 13 far 0 85 0 - 9.5-13.6 HB2 LYS 33 - HD2 LYS 12 far 0 96 0 - 9.7-13.3 HB3 LEU 14 - HD3 LYS 20 far 0 43 0 - 9.8-12.0 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 35 assignments used, quality = 1.00: * HG2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 12 + HD2 LYS 12 OK 90 90 100 100 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 HG3 ARG 91 + HB3 ARG 91 OK 40 40 100 100 2.3-3.0 2.8=100 HG2 LYS 20 + HD2 LYS 20 OK 37 37 100 100 2.2-3.0 2.8=100 HG2 LYS 20 + HD3 LYS 20 OK 32 32 100 100 2.4-2.9 2.8=100 HG2 LYS 20 - HD3 LYS 24 far 0 80 0 - 5.3-10.4 QB ALA 22 - HD3 LYS 20 far 0 46 0 - 5.8-8.6 HG2 LYS 20 - HD2 LYS 24 far 0 79 0 - 5.9-9.0 QB ALA 22 - HD2 LYS 24 far 0 98 0 - 5.9-7.9 QB ALA 22 - HD3 LYS 24 far 0 99 0 - 6.2-8.6 QB ALA 22 - HD2 LYS 20 far 0 52 0 - 6.8-8.7 HG2 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.9-8.9 HG2 LYS 12 - HD3 LYS 33 far 0 48 0 - 7.2-8.9 HG2 LYS 12 - HD2 LYS 13 far 0 96 0 - 7.3-9.6 HG2 LYS 13 - HD2 LYS 12 far 0 96 0 - 7.4-9.5 HG2 LYS 12 - HD3 LYS 13 far 0 96 0 - 7.5-9.9 HG2 LYS 12 - HD2 LYS 33 far 0 48 0 - 7.7-9.9 HG13 ILE 76 - HD2 LYS 47 far 0 46 0 - 7.9-11.4 HG2 LYS 13 - HD2 LYS 20 far 0 53 0 - 7.9-10.6 HG2 LYS 20 - HD3 LYS 13 far 0 82 0 - 8.1-13.0 HG2 LYS 13 - HD3 LYS 20 far 0 46 0 - 8.5-12.2 HG13 ILE 76 - HD3 LYS 47 far 0 48 0 - 8.7-11.2 HG13 ILE 52 - HD3 LYS 47 far 0 34 0 - 8.7-11.3 HG2 LYS 20 - HD2 LYS 13 far 0 82 0 - 8.7-13.4 HB2 LEU 27 - HD2 LYS 24 far 0 79 0 - 8.8-11.3 HG2 LYS 12 - HD2 LYS 20 far 0 47 0 - 8.9-11.4 HG2 LYS 12 - HD3 LYS 20 far 0 41 0 - 9.0-13.0 HG LEU 29 - HD3 LYS 20 far 0 46 0 - 9.3-12.8 HD3 LYS 40 - HD2 LYS 33 far 0 30 0 - 9.3-11.7 HB2 LEU 27 - HD3 LYS 24 far 0 80 0 - 9.4-11.8 HG2 LYS 20 - HD2 LYS 12 far 0 75 0 - 9.4-13.7 HG2 LYS 20 - HD3 LYS 12 far 0 75 0 - 9.7-14.1 HD2 LYS 40 - HD2 LYS 33 far 0 31 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 555 from cnoeabs.peaks (1.50, 1.70, 28.93 ppm; 2.51 A): 8 out of 28 assignments used, quality = 1.00: * HG3 LYS 13 + HD3 LYS 13 OK 64 100 70 91 2.3-3.0 3.0=62, 1.8/524=10...(35) HG3 LYS 13 + HD2 LYS 13 OK 60 100 65 92 2.3-3.0 3.0=62, 1.8/524=10...(36) HG3 LYS 24 + HD2 LYS 24 OK 57 96 65 91 2.3-3.0 3.0=62, 1096/4.9=12...(41) HG3 LYS 24 + HD3 LYS 24 OK 53 97 60 92 2.3-3.0 3.0=62, 1096/4.9=12...(46) HB2 ARG 91 + HB3 ARG 91 OK 48 48 100 100 1.8-1.8 1.8=100 HG2 LYS 47 + HD3 LYS 47 OK 45 48 100 93 2.3-2.6 3.0=60, 12088/12091=8...(64) HG3 LYS 33 + HD3 LYS 33 OK 43 53 90 91 2.3-3.0 3.0=61, 1418/1419=16...(39) HG2 LYS 47 + HD2 LYS 47 OK 24 46 55 94 2.3-3.0 3.0=60, 3267/1.8=13...(67) HG3 LYS 33 - HD2 LYS 33 far 5 53 10 - 2.7-3.0 HG3 LYS 13 - HD3 LYS 12 far 0 96 0 - 5.8-7.4 HB2 LEU 14 - HD2 LYS 13 far 0 85 0 - 6.2-8.2 HB2 LEU 14 - HD3 LYS 13 far 0 85 0 - 6.4-8.4 HG3 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.5-8.1 HG3 LYS 24 - HD3 LYS 20 far 0 44 0 - 7.0-12.0 HG3 LYS 24 - HD2 LYS 20 far 0 50 0 - 7.5-11.1 HG3 LYS 33 - HD2 LYS 12 far 0 95 0 - 7.6-10.8 HG LEU 57 - HB3 ARG 91 far 0 50 0 - 8.0-8.4 HG3 LYS 33 - HD3 LYS 12 far 0 95 0 - 8.1-10.5 HB2 LEU 14 - HD2 LYS 12 far 0 78 0 - 8.1-10.7 HB2 LEU 14 - HD3 LYS 12 far 0 78 0 - 8.2-9.7 HG3 LYS 13 - HD2 LYS 20 far 0 53 0 - 8.6-10.1 HG3 LYS 13 - HD3 LYS 20 far 0 46 0 - 8.7-11.5 HD3 LYS 40 - HD2 LYS 33 far 0 33 0 - 9.3-11.7 HB2 LEU 14 - HD2 LYS 20 far 0 39 0 - 9.4-11.0 HB2 LEU 14 - HD3 LYS 20 far 0 34 0 - 9.7-12.0 HD2 LYS 40 - HD2 LYS 33 far 0 32 0 - 9.7-11.9 HB ILE 7 - HD3 LYS 12 far 0 78 0 - 9.9-12.6 HB ILE 7 - HD3 LYS 20 far 0 34 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 556 from cnoeabs.peaks (1.70, 1.70, 28.93 ppm; diagonal): 13 out of 13 assignments used, quality = 1.00: HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 99 99 - 100 HD2 LYS 24 + HD2 LYS 24 OK 98 98 - 100 HD3 LYS 12 + HD3 LYS 12 OK 96 96 - 100 HD2 LYS 12 + HD2 LYS 12 OK 96 96 - 100 HB3 ARG 91 + HB3 ARG 91 OK 44 44 - 100 HD2 LYS 20 + HD2 LYS 20 OK 41 41 - 100 HD3 LYS 33 + HD3 LYS 33 OK 41 41 - 100 HD2 LYS 33 + HD2 LYS 33 OK 41 41 - 100 HD3 LYS 47 + HD3 LYS 47 OK 41 41 - 100 HD2 LYS 47 + HD2 LYS 47 OK 39 39 - 100 HD3 LYS 20 + HD3 LYS 20 OK 33 33 - 100 Reference assignment not found: HD2 LYS 13 - HD3 LYS 13 Peak 557 from cnoeabs.peaks (1.70, 1.70, 28.93 ppm; diagonal): 13 out of 13 assignments used, quality = 1.00: * HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 99 99 - 100 HD2 LYS 24 + HD2 LYS 24 OK 98 98 - 100 HD3 LYS 12 + HD3 LYS 12 OK 96 96 - 100 HD2 LYS 12 + HD2 LYS 12 OK 96 96 - 100 HD3 LYS 33 + HD3 LYS 33 OK 43 43 - 100 HD2 LYS 33 + HD2 LYS 33 OK 43 43 - 100 HB3 ARG 91 + HB3 ARG 91 OK 42 42 - 100 HD3 LYS 47 + HD3 LYS 47 OK 39 39 - 100 HD2 LYS 20 + HD2 LYS 20 OK 39 39 - 100 HD2 LYS 47 + HD2 LYS 47 OK 37 37 - 100 HD3 LYS 20 + HD3 LYS 20 OK 31 31 - 100 Peak 558 from cnoeabs.peaks (2.96, 1.70, 28.93 ppm; 2.88 A): 14 out of 62 assignments used, quality = 1.00: HE3 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=94, 474/3.0=13...(64) * HE2 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=94, 474/3.0=12...(64) HE3 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.5-3.0 2.9=94, 474/3.0=13...(64) HE2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.5-3.0 2.9=94, 474/3.0=12...(64) HE2 LYS 24 + HD3 LYS 24 OK 98 99 100 99 2.3-3.0 3.0=91, 1143/3.0=9...(75) HE3 LYS 24 + HD3 LYS 24 OK 98 99 100 99 2.4-3.0 3.0=91, 475/3.0=8...(75) HE3 LYS 24 + HD2 LYS 24 OK 97 99 100 99 2.3-3.0 3.0=91, 475/3.0=8...(75) HE2 LYS 24 + HD2 LYS 24 OK 97 99 100 98 2.4-3.0 3.0=91, 1143/3.0=9...(75) HE3 LYS 12 + HD3 LYS 12 OK 94 95 100 99 2.3-3.0 3.0=90, ~463=19, ~464=19...(38) HE3 LYS 12 + HD2 LYS 12 OK 94 95 100 99 2.3-3.0 3.0=90, ~463=19, ~464=19...(38) HE2 LYS 47 + HD3 LYS 47 OK 44 44 100 99 2.3-3.0 3.0=91, 2154/3.9=9...(87) HE3 LYS 47 + HD3 LYS 47 OK 44 44 100 99 2.3-3.0 3.0=91, 2155/3.9=10...(82) HE3 LYS 47 + HD2 LYS 47 OK 42 43 100 99 2.3-3.0 3.0=91, 2155/3.9=10...(82) HE2 LYS 47 + HD2 LYS 47 OK 42 43 100 99 2.3-3.0 3.0=91, 2155/3.9=9...(87) HB3 ASP 11 - HD2 LYS 13 far 0 69 0 - 4.4-7.2 HE3 LYS 90 - HD3 LYS 20 far 0 35 0 - 4.4-8.4 HG2 MET 21 - HD3 LYS 24 far 0 90 0 - 5.1-8.0 HG2 MET 21 - HD2 LYS 24 far 0 89 0 - 5.5-8.4 HE3 LYS 90 - HD2 LYS 20 far 0 40 0 - 5.6-8.5 HB3 ASP 11 - HD3 LYS 12 far 0 63 0 - 5.6-8.1 HB3 ASP 11 - HD3 LYS 13 far 0 70 0 - 5.6-7.5 HB3 ASP 11 - HD2 LYS 12 far 0 63 0 - 5.6-8.7 HE3 LYS 24 - HD3 LYS 20 far 0 46 0 - 5.8-12.5 HE3 LYS 12 - HD3 LYS 33 far 0 53 0 - 5.8-9.2 HB2 ASN 10 - HD2 LYS 12 far 0 66 0 - 5.9-11.0 HG2 MET 21 - HD3 LYS 20 far 0 38 0 - 6.0-9.1 HE2 LYS 24 - HD3 LYS 20 far 0 46 0 - 6.1-12.3 HB2 SER 9 - HD2 LYS 12 far 0 68 0 - 6.1-11.1 HB2 SER 9 - HD3 LYS 12 far 0 68 0 - 6.2-9.5 HB2 ASN 10 - HD3 LYS 12 far 0 66 0 - 6.4-10.1 HE3 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.5-10.7 HE2 LYS 13 - HD2 LYS 20 far 0 53 0 - 6.5-12.1 HG2 MET 21 - HB3 ARG 91 far 0 42 0 - 6.9-7.5 HE3 LYS 24 - HD2 LYS 20 far 0 53 0 - 6.9-12.0 HE3 LYS 12 - HD2 LYS 33 far 0 53 0 - 6.9-10.5 HG2 MET 21 - HD2 LYS 20 far 0 44 0 - 6.9-9.4 HE3 LYS 90 - HD2 LYS 24 far 0 84 0 - 7.1-11.6 HE3 LYS 13 - HD2 LYS 12 far 0 96 0 - 7.1-11.2 HB2 PHE 45 - HD3 LYS 47 far 0 38 0 - 7.2-8.6 HE2 LYS 13 - HD2 LYS 12 far 0 96 0 - 7.2-12.0 HE3 LYS 90 - HD3 LYS 24 far 0 85 0 - 7.3-10.7 HE3 LYS 12 - HD3 LYS 13 far 0 100 0 - 7.3-11.8 HB3 PHE 45 - HD3 LYS 47 far 0 47 0 - 7.3-9.1 HE3 LYS 90 - HB3 ARG 91 far 0 38 0 - 7.4-8.9 HE2 LYS 13 - HD3 LYS 12 far 0 96 0 - 7.5-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 53 0 - 7.5-11.7 HE2 LYS 13 - HD3 LYS 20 far 0 46 0 - 7.5-13.3 HB2 ASN 10 - HD3 LYS 33 far 0 33 0 - 7.5-8.6 HE3 LYS 13 - HD2 LYS 20 far 0 53 0 - 7.5-11.8 HE3 LYS 13 - HD3 LYS 20 far 0 46 0 - 7.6-13.1 HE3 LYS 12 - HD2 LYS 13 far 0 100 0 - 7.7-11.9 HE3 LYS 90 - HD2 LYS 13 far 0 87 0 - 7.7-13.0 HB2 PHE 45 - HD2 LYS 47 far 0 36 0 - 7.8-9.3 HB2 SER 9 - HD3 LYS 33 far 0 34 0 - 8.0-10.0 HE3 LYS 90 - HD3 LYS 13 far 0 87 0 - 8.0-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 52 0 - 8.1-13.3 HB3 PHE 45 - HD2 LYS 47 far 0 46 0 - 8.2-9.6 HE3 LYS 12 - HD3 LYS 20 far 0 46 0 - 8.2-14.3 HB2 ASN 10 - HD2 LYS 33 far 0 33 0 - 8.6-9.8 HB2 SER 9 - HD2 LYS 33 far 0 34 0 - 9.3-10.8 HB2 SER 9 - HD2 LYS 13 far 0 75 0 - 9.5-12.2 HB2 ASN 10 - HD2 LYS 13 far 0 73 0 - 10.0-12.7 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 65 assignments used, quality = 1.00: HE3 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=94, 474/3.0=13...(64) HE2 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=94, 474/3.0=12...(64) * HE3 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.5-3.0 2.9=94, 474/3.0=13...(64) HE2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.5-3.0 2.9=94, 474/3.0=12...(64) HE2 LYS 24 + HD3 LYS 24 OK 98 99 100 99 2.3-3.0 3.0=91, 1143/3.0=9...(75) HE3 LYS 24 + HD3 LYS 24 OK 98 99 100 99 2.4-3.0 3.0=91, 475/3.0=8...(75) HE3 LYS 24 + HD2 LYS 24 OK 97 99 100 99 2.3-3.0 3.0=91, 475/3.0=8...(75) HE2 LYS 24 + HD2 LYS 24 OK 97 99 100 98 2.4-3.0 3.0=91, 1143/3.0=9...(75) HE3 LYS 12 + HD3 LYS 12 OK 94 95 100 99 2.3-3.0 3.0=90, ~463=19, ~464=19...(38) HE3 LYS 12 + HD2 LYS 12 OK 94 95 100 99 2.3-3.0 3.0=90, ~463=19, ~464=19...(38) HE2 LYS 47 + HD3 LYS 47 OK 43 43 100 99 2.3-3.0 3.0=91, 2155/3.9=9...(87) HE3 LYS 47 + HD3 LYS 47 OK 42 43 100 99 2.3-3.0 3.0=91, 2154/3.9=9...(82) HE3 LYS 47 + HD2 LYS 47 OK 41 41 100 99 2.3-3.0 3.0=91, 2155/3.9=9...(82) HE2 LYS 47 + HD2 LYS 47 OK 41 41 100 99 2.3-3.0 3.0=91, 2155/3.9=9...(87) HB3 ASP 11 - HD2 LYS 13 far 0 65 0 - 4.4-7.2 HE3 LYS 90 - HD3 LYS 20 far 0 36 0 - 4.4-8.4 HG2 MET 21 - HD3 LYS 24 far 0 92 0 - 5.1-8.0 HE2 LYS 94 - HB3 ARG 91 far 0 25 0 - 5.1-10.1 HG2 MET 21 - HD2 LYS 24 far 0 91 0 - 5.5-8.4 HE3 LYS 90 - HD2 LYS 20 far 0 42 0 - 5.6-8.5 HB3 ASP 11 - HD3 LYS 12 far 0 59 0 - 5.6-8.1 HB3 ASP 11 - HD3 LYS 13 far 0 65 0 - 5.6-7.5 HB3 ASP 11 - HD2 LYS 12 far 0 59 0 - 5.6-8.7 HE2 LYS 94 - HD3 LYS 24 far 0 59 0 - 5.7-12.3 HE3 LYS 24 - HD3 LYS 20 far 0 46 0 - 5.8-12.5 HE3 LYS 12 - HD3 LYS 33 far 0 53 0 - 5.8-9.2 HB2 ASN 10 - HD2 LYS 12 far 0 70 0 - 5.9-11.0 HG2 MET 21 - HD3 LYS 20 far 0 39 0 - 6.0-9.1 HE2 LYS 24 - HD3 LYS 20 far 0 46 0 - 6.1-12.3 HB2 SER 9 - HD2 LYS 12 far 0 64 0 - 6.1-11.1 HB2 SER 9 - HD3 LYS 12 far 0 64 0 - 6.2-9.5 HB2 ASN 10 - HD3 LYS 12 far 0 70 0 - 6.4-10.1 HE3 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.5-10.7 HE2 LYS 13 - HD2 LYS 20 far 0 53 0 - 6.5-12.1 HG2 MET 21 - HB3 ARG 91 far 0 44 0 - 6.9-7.5 HE3 LYS 24 - HD2 LYS 20 far 0 52 0 - 6.9-12.0 HE3 LYS 12 - HD2 LYS 33 far 0 53 0 - 6.9-10.5 HG2 MET 21 - HD2 LYS 20 far 0 45 0 - 6.9-9.4 HE2 LYS 94 - HD2 LYS 24 far 0 59 0 - 6.9-12.9 HE3 LYS 90 - HD2 LYS 24 far 0 87 0 - 7.1-11.6 HE3 LYS 13 - HD2 LYS 12 far 0 96 0 - 7.1-11.2 HB2 PHE 45 - HD3 LYS 47 far 0 36 0 - 7.2-8.6 HE2 LYS 13 - HD2 LYS 12 far 0 96 0 - 7.2-12.0 HE3 LYS 90 - HD3 LYS 24 far 0 87 0 - 7.3-10.7 HE3 LYS 12 - HD3 LYS 13 far 0 100 0 - 7.3-11.8 HB3 PHE 45 - HD3 LYS 47 far 0 47 0 - 7.3-9.1 HE3 LYS 90 - HB3 ARG 91 far 0 40 0 - 7.4-8.9 HE2 LYS 13 - HD3 LYS 12 far 0 96 0 - 7.5-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 52 0 - 7.5-11.7 HE2 LYS 13 - HD3 LYS 20 far 0 46 0 - 7.5-13.3 HB2 ASN 10 - HD3 LYS 33 far 0 35 0 - 7.5-8.6 HE3 LYS 13 - HD2 LYS 20 far 0 53 0 - 7.5-11.8 HE3 LYS 13 - HD3 LYS 20 far 0 46 0 - 7.6-13.1 HE3 LYS 12 - HD2 LYS 13 far 0 100 0 - 7.7-11.9 HE3 LYS 90 - HD2 LYS 13 far 0 89 0 - 7.7-13.0 HB2 PHE 45 - HD2 LYS 47 far 0 35 0 - 7.8-9.3 HB2 SER 9 - HD3 LYS 33 far 0 32 0 - 8.0-10.0 HE3 LYS 90 - HD3 LYS 13 far 0 90 0 - 8.0-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 52 0 - 8.1-13.3 HB3 PHE 45 - HD2 LYS 47 far 0 45 0 - 8.2-9.6 HE3 LYS 12 - HD3 LYS 20 far 0 45 0 - 8.2-14.3 HB2 ASN 10 - HD2 LYS 33 far 0 35 0 - 8.6-9.8 HB2 SER 9 - HD2 LYS 33 far 0 32 0 - 9.3-10.8 HB2 SER 9 - HD2 LYS 13 far 0 71 0 - 9.5-12.2 HB2 ASN 10 - HD2 LYS 13 far 0 77 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 560 from cnoeabs.peaks (7.55, 1.70, 28.93 ppm; 5.02 A increased from 4.46 A): 5 out of 13 assignments used, quality = 0.99: H LYS 24 + HD2 LYS 24 OK 88 88 100 100 2.4-5.1 1061/3.6=72, 6386/3.0=71...(21) H LYS 24 + HD3 LYS 24 OK 75 89 85 100 3.1-5.8 1061/3.6=72, 6386/3.0=71...(23) H LEU 14 + HD2 LYS 13 OK 54 100 55 99 5.0-6.3 6191/3.0=68, 6182/6.0=50...(10) H GLU 88 + HB3 ARG 91 OK 32 43 75 99 5.1-5.5 3.0/3871=60, ~4024=59...(16) * H LEU 14 + HD3 LYS 13 OK 25 100 25 99 5.1-6.3 6191/3.0=68, 6182/6.0=50...(10) H LEU 14 - HD3 LYS 12 far 0 96 0 - 6.0-7.1 H LEU 14 - HD2 LYS 12 far 0 96 0 - 6.1-8.2 H LYS 24 - HD3 LYS 20 far 0 37 0 - 6.7-9.4 H LYS 24 - HD2 LYS 20 far 0 43 0 - 8.3-9.5 H LEU 14 - HD2 LYS 20 far 0 53 0 - 8.3-9.7 H LEU 14 - HD3 LYS 20 far 0 46 0 - 8.7-10.7 H LEU 38 - HD2 LYS 33 far 0 44 0 - 9.1-9.6 H LEU 38 - HD3 LYS 33 far 0 44 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 561 from cnoeabs.peaks (8.07, 2.96, 41.80 ppm; 6.50 A): 4 out of 19 assignments used, quality = 1.00: * H LYS 13 + HE2 LYS 13 OK 100 100 100 100 4.4-6.5 6177/3.8=98, 6167/3.8=97...(24) H LYS 13 + HE3 LYS 13 OK 100 100 100 100 3.6-6.2 6177/3.8=98, 6167/3.8=97...(24) H GLU 17 + HE3 LYS 90 OK 62 69 90 100 5.2-7.4 6258/9045=89...(6) H LYS 90 + HE3 LYS 90 OK 51 51 100 100 4.8-5.4 7.0=81, 7422/3.0=72...(15) H GLU 17 - HE3 LYS 13 poor 20 98 20 - 5.9-9.9 H LYS 13 - HE3 LYS 12 far 15 100 15 - 4.2-7.7 H GLU 17 - HE2 LYS 13 far 15 98 15 - 5.4-9.9 H ILE 15 - HE3 LYS 12 far 10 100 10 - 4.3-8.3 H GLU 75 - HE3 LYS 73 far 9 93 10 - 6.5-9.1 H ILE 15 - HE2 LYS 13 far 5 100 5 - 6.5-9.6 H ILE 15 - HE3 LYS 13 far 5 100 5 - 6.5-9.4 H GLU 75 - HE2 LYS 73 far 5 98 5 - 6.8-9.0 H GLU 17 - HE3 LYS 12 far 5 97 5 - 6.4-11.3 H LYS 39 - HE3 LYS 73 far 0 92 0 - 7.7-13.7 H LYS 39 - HE2 LYS 73 far 0 97 0 - 8.2-14.0 H ILE 15 - HE3 LYS 90 far 0 73 0 - 8.9-11.0 H LYS 90 - HE3 LYS 24 far 0 79 0 - 9.4-13.5 H GLU 17 - HE3 LYS 24 far 0 98 0 - 9.8-14.7 H LYS 90 - HE2 LYS 24 far 0 79 0 - 10.0-14.0 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 15 assignments used, quality = 1.00: HA LYS 13 + HE3 LYS 13 OK 85 100 85 100 2.5-6.1 486/3.8=78, 518/3.8=71...(50) * HA LYS 13 + HE2 LYS 13 OK 80 100 80 100 2.1-6.0 486/3.8=78, 518/3.8=71...(50) HA LYS 47 + HE3 LYS 47 OK 76 90 85 100 2.3-6.1 2126/3.8=53, 2127/3.8=52...(80) HA LYS 73 + HE2 LYS 73 OK 64 91 70 100 3.2-5.9 3232/4.0=46, 6.7=39...(63) HA LYS 47 + HE2 LYS 47 OK 49 90 55 100 2.3-6.0 2126/3.8=53, 2127/3.8=52...(79) HA LYS 73 + HE3 LYS 73 OK 42 85 50 100 2.8-6.4 3232/4.0=46, 6.7=39...(64) HA GLU 23 - HE3 LYS 24 far 5 99 5 - 4.4-10.2 HA LYS 13 - HE3 LYS 12 far 0 100 0 - 5.8-9.0 HA GLU 23 - HE2 LYS 24 far 0 99 0 - 5.9-10.3 HA GLN 72 - HE3 LYS 73 far 0 93 0 - 6.9-9.6 HA GLN 72 - HE2 LYS 73 far 0 98 0 - 7.4-9.5 HB3 SER 85 - HE3 LYS 90 far 0 41 0 - 8.0-9.5 HA LYS 13 - HE3 LYS 90 far 0 73 0 - 8.1-11.0 HB3 SER 85 - HE3 LYS 13 far 0 65 0 - 8.8-13.2 HB3 SER 85 - HE2 LYS 13 far 0 65 0 - 9.3-13.0 Violated in 0 structures by 0.00 A. Peak 563 from cnoeabs.peaks (1.92, 2.96, 41.80 ppm; 3.45 A): 5 out of 48 assignments used, quality = 0.92: HB2 GLU 17 + HE3 LYS 90 OK 47 56 90 93 2.1-4.1 3.0/9045=34...(17) HB3 LYS 47 + HE3 LYS 47 OK 46 92 50 99 2.1-4.8 4.9=36, 2154/1.8=23...(116) HB3 LYS 13 + HE3 LYS 13 OK 40 100 40 99 2.2-4.8 5.0=33, 3.0/474=18...(82) HB3 LYS 13 + HE2 LYS 13 OK 35 100 35 99 2.1-4.7 5.0=33, 3.0/474=17...(83) HB3 LYS 47 + HE2 LYS 47 OK 32 92 35 100 2.7-5.0 4.9=36, 2154/1.8=24...(116) ! HB2 LYS 13 - HE2 LYS 13 far 15 100 15 - 3.6-5.5 HB2 LYS 13 - HE3 LYS 13 far 10 100 10 - 3.2-5.0 HB2 LYS 20 - HE2 LYS 24 far 4 82 5 - 3.7-9.3 HB2 LYS 20 - HE3 LYS 24 far 0 82 0 - 3.9-10.0 HB3 LYS 20 - HE2 LYS 24 far 0 94 0 - 4.4-9.6 HB3 LYS 20 - HE3 LYS 24 far 0 94 0 - 4.6-9.9 HB2 GLU 43 - HE2 LYS 47 far 0 91 0 - 4.7-8.5 HB3 LYS 20 - HE3 LYS 90 far 0 64 0 - 5.2-7.6 HB2 LYS 94 - HE2 LYS 24 far 0 100 0 - 5.4-12.9 HB2 GLU 43 - HE3 LYS 47 far 0 91 0 - 5.8-8.2 HB2 LYS 13 - HE3 LYS 12 far 0 100 0 - 6.4-9.9 HB2 LYS 20 - HE3 LYS 90 far 0 53 0 - 6.5-7.8 HB3 ARG 19 - HE3 LYS 12 far 0 97 0 - 6.6-11.9 HB2 GLU 17 - HE3 LYS 13 far 0 85 0 - 6.7-11.6 HB3 LEU 14 - HE3 LYS 12 far 0 96 0 - 6.9-10.2 HB2 LYS 94 - HE3 LYS 24 far 0 100 0 - 7.1-13.1 HB3 LEU 14 - HE3 LYS 13 far 0 97 0 - 7.3-9.7 HB2 GLU 17 - HE2 LYS 13 far 0 85 0 - 7.5-11.7 HB3 LEU 14 - HE2 LYS 13 far 0 97 0 - 7.6-9.8 HB2 ARG 19 - HE3 LYS 12 far 0 86 0 - 7.6-13.0 HB3 LYS 13 - HE3 LYS 90 far 0 73 0 - 7.6-10.5 HB2 ARG 19 - HE3 LYS 24 far 0 87 0 - 7.7-13.6 HB3 LYS 13 - HE3 LYS 12 far 0 100 0 - 7.7-10.8 HB3 LYS 33 - HE3 LYS 12 far 0 100 0 - 7.9-11.0 HB3 ARG 19 - HE3 LYS 24 far 0 97 0 - 8.2-13.6 HB2 LYS 94 - HE3 LYS 90 far 0 72 0 - 8.3-10.7 HB2 GLU 17 - HE3 LYS 24 far 0 85 0 - 8.3-12.9 HB3 ARG 19 - HE3 LYS 90 far 0 68 0 - 8.8-10.2 HG LEU 42 - HE3 LYS 73 far 0 82 0 - 8.9-13.9 HB2 ARG 19 - HE2 LYS 24 far 0 87 0 - 9.0-13.8 HB2 GLU 17 - HE2 LYS 24 far 0 85 0 - 9.0-12.7 HB3 ARG 19 - HE2 LYS 24 far 0 97 0 - 9.2-13.7 HB2 LYS 33 - HE3 LYS 12 far 0 100 0 - 9.2-12.5 HB2 LYS 13 - HE3 LYS 90 far 0 73 0 - 9.3-11.9 HB3 LEU 14 - HE3 LYS 90 far 0 68 0 - 9.3-11.1 HB3 ARG 19 - HE2 LYS 13 far 0 98 0 - 9.4-14.5 HB3 LYS 20 - HE2 LYS 13 far 0 94 0 - 9.4-14.2 HG3 GLU 88 - HE3 LYS 90 far 0 53 0 - 9.5-10.9 HB3 LYS 20 - HE3 LYS 13 far 0 94 0 - 9.6-14.5 HB3 ARG 19 - HE3 LYS 13 far 0 97 0 - 9.8-14.5 HB3 LYS 20 - HE3 LYS 12 far 0 93 0 - 9.9-16.5 HB2 GLU 17 - HE3 LYS 12 far 0 84 0 - 9.9-14.7 HG LEU 42 - HE2 LYS 73 far 0 88 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 564 from cnoeabs.peaks (1.91, 2.96, 41.80 ppm; 3.45 A): 5 out of 48 assignments used, quality = 0.92: HB3 LYS 47 + HE3 LYS 47 OK 45 91 50 99 2.1-4.8 4.9=36, 2155/1.8=23...(116) HB2 GLU 17 + HE3 LYS 90 OK 45 53 90 93 2.1-4.1 3.0/9045=34...(17) HB3 LYS 13 + HE3 LYS 13 OK 40 100 40 99 2.2-4.8 5.0=33, 3.0/474=18...(82) * HB3 LYS 13 + HE2 LYS 13 OK 35 100 35 99 2.1-4.7 5.0=33, 3.0/474=17...(83) HB3 LYS 47 + HE2 LYS 47 OK 32 91 35 100 2.7-5.0 4.9=36, 2155/1.8=24...(116) HB2 LYS 13 - HE2 LYS 13 far 15 100 15 - 3.6-5.5 HB2 LYS 13 - HE3 LYS 13 far 10 100 10 - 3.2-5.0 HB2 LYS 20 - HE2 LYS 24 far 4 85 5 - 3.7-9.3 HB2 LYS 20 - HE3 LYS 24 far 0 85 0 - 3.9-10.0 HB3 LYS 20 - HE2 LYS 24 far 0 92 0 - 4.4-9.6 HB3 LYS 20 - HE3 LYS 24 far 0 92 0 - 4.6-9.9 HB2 GLU 43 - HE2 LYS 47 far 0 92 0 - 4.7-8.5 HB3 LYS 20 - HE3 LYS 90 far 0 62 0 - 5.2-7.6 HB2 LYS 94 - HE2 LYS 24 far 0 99 0 - 5.4-12.9 HB2 GLU 43 - HE3 LYS 47 far 0 92 0 - 5.8-8.2 HB2 LYS 13 - HE3 LYS 12 far 0 100 0 - 6.4-9.9 HB2 LYS 20 - HE3 LYS 90 far 0 56 0 - 6.5-7.8 HB3 ARG 19 - HE3 LYS 12 far 0 95 0 - 6.6-11.9 HB2 GLU 17 - HE3 LYS 13 far 0 82 0 - 6.7-11.6 HB3 LEU 14 - HE3 LYS 12 far 0 97 0 - 6.9-10.2 HB2 LYS 94 - HE3 LYS 24 far 0 99 0 - 7.1-13.1 HB3 LEU 14 - HE3 LYS 13 far 0 98 0 - 7.3-9.7 HB2 GLU 17 - HE2 LYS 13 far 0 82 0 - 7.5-11.7 HB3 LEU 14 - HE2 LYS 13 far 0 98 0 - 7.6-9.8 HB2 ARG 19 - HE3 LYS 12 far 0 88 0 - 7.6-13.0 HB3 LYS 13 - HE3 LYS 90 far 0 73 0 - 7.6-10.5 HB2 ARG 19 - HE3 LYS 24 far 0 89 0 - 7.7-13.6 HB3 LYS 13 - HE3 LYS 12 far 0 100 0 - 7.7-10.8 HB3 LYS 33 - HE3 LYS 12 far 0 100 0 - 7.9-11.0 HB3 ARG 19 - HE3 LYS 24 far 0 96 0 - 8.2-13.6 HB2 LYS 94 - HE3 LYS 90 far 0 71 0 - 8.3-10.7 HB2 GLU 17 - HE3 LYS 24 far 0 82 0 - 8.3-12.9 HB3 ARG 19 - HE3 LYS 90 far 0 67 0 - 8.8-10.2 HG LEU 42 - HE3 LYS 73 far 0 84 0 - 8.9-13.9 HB2 ARG 19 - HE2 LYS 24 far 0 89 0 - 9.0-13.8 HB2 GLU 17 - HE2 LYS 24 far 0 82 0 - 9.0-12.7 HB3 ARG 19 - HE2 LYS 24 far 0 96 0 - 9.2-13.7 HB2 LYS 33 - HE3 LYS 12 far 0 100 0 - 9.2-12.5 HB2 LYS 13 - HE3 LYS 90 far 0 73 0 - 9.3-11.9 HB3 LEU 14 - HE3 LYS 90 far 0 69 0 - 9.3-11.1 HB3 ARG 19 - HE2 LYS 13 far 0 96 0 - 9.4-14.5 HB3 LYS 20 - HE2 LYS 13 far 0 92 0 - 9.4-14.2 HG3 GLU 88 - HE3 LYS 90 far 0 51 0 - 9.5-10.9 HB3 LYS 20 - HE3 LYS 13 far 0 92 0 - 9.6-14.5 HB3 ARG 19 - HE3 LYS 13 far 0 96 0 - 9.8-14.5 HB3 LYS 20 - HE3 LYS 12 far 0 91 0 - 9.9-16.5 HB2 GLU 17 - HE3 LYS 12 far 0 81 0 - 9.9-14.7 HG LEU 42 - HE2 LYS 73 far 0 90 0 - 10.0-14.1 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 31 assignments used, quality = 1.00: HG2 LYS 13 + HE3 LYS 13 OK 100 100 100 100 2.2-3.8 3.8=86, 518/6.0=21...(90) HG2 LYS 12 + HE3 LYS 12 OK 90 95 95 100 2.3-4.2 4.0=77, 423/1.8=61...(47) * HG2 LYS 13 + HE2 LYS 13 OK 90 100 90 100 2.2-4.1 3.8=86, 518/6.0=21...(91) HG3 LYS 39 - HE3 LYS 73 far 4 90 5 - 3.6-12.5 HG3 LYS 39 - HE2 LYS 73 far 0 95 0 - 5.0-12.9 HG2 LYS 20 - HE3 LYS 24 far 0 82 0 - 5.3-10.7 HG2 LYS 20 - HE3 LYS 90 far 0 53 0 - 5.5-9.1 HG2 LYS 20 - HE2 LYS 24 far 0 82 0 - 5.8-10.7 QB ALA 22 - HE3 LYS 24 far 0 100 0 - 5.8-9.8 HG2 LYS 12 - HE3 LYS 13 far 0 96 0 - 6.4-10.4 HG2 LYS 13 - HE3 LYS 12 far 0 100 0 - 6.8-11.0 QB ALA 71 - HE3 LYS 73 far 0 82 0 - 7.0-9.6 QB ALA 71 - HE2 LYS 73 far 0 88 0 - 7.1-9.5 QB ALA 22 - HE2 LYS 24 far 0 100 0 - 7.3-9.9 HG2 LYS 12 - HE2 LYS 13 far 0 96 0 - 7.5-10.8 HB2 LEU 27 - HE3 LYS 24 far 0 82 0 - 8.5-12.9 HB2 LEU 38 - HE2 LYS 73 far 0 81 0 - 8.6-14.9 QB ALA 22 - HE3 LYS 90 far 0 73 0 - 8.7-9.3 HG13 ILE 76 - HE3 LYS 47 far 0 92 0 - 8.7-12.7 HG13 ILE 76 - HE3 LYS 73 far 0 92 0 - 8.9-13.3 HG13 ILE 52 - HE2 LYS 47 far 0 72 0 - 8.9-12.3 HB2 LEU 38 - HE3 LYS 73 far 0 75 0 - 8.9-14.7 HG2 LYS 20 - HE2 LYS 13 far 0 82 0 - 9.0-14.4 HG13 ILE 52 - HE3 LYS 47 far 0 72 0 - 9.0-12.3 HG3 ARG 91 - HE3 LYS 90 far 0 60 0 - 9.1-11.0 HG LEU 38 - HE3 LYS 73 far 0 69 0 - 9.5-14.2 HG12 ILE 7 - HE3 LYS 12 far 0 99 0 - 9.5-13.5 HG2 LYS 13 - HE3 LYS 90 far 0 73 0 - 9.6-12.1 HG2 LYS 20 - HE3 LYS 13 far 0 82 0 - 9.7-14.3 HG2 LYS 20 - HE3 LYS 12 far 0 81 0 - 9.8-15.0 HG LEU 38 - HE2 LYS 73 far 0 75 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 566 from cnoeabs.peaks (1.50, 2.96, 41.80 ppm; 3.64 A increased from 3.07 A): 8 out of 24 assignments used, quality = 1.00: HG3 LYS 13 + HE3 LYS 13 OK 95 100 95 100 2.1-4.2 3.8=87, 486/6.0=22...(72) * HG3 LYS 13 + HE2 LYS 13 OK 95 100 95 100 2.3-4.1 3.8=87, 486/6.0=22...(73) HG3 LYS 24 + HE2 LYS 24 OK 93 98 95 100 2.2-4.0 3.7=94, 3.7/12306=25...(103) HG3 LYS 24 + HE3 LYS 24 OK 93 98 95 100 2.3-4.2 3.7=94, 1096/6.2=19...(101) HG2 LYS 47 + HE3 LYS 47 OK 92 92 100 100 2.4-3.9 3.8=90, 3.0/2155=22...(121) HG2 LYS 73 + HE3 LYS 73 OK 83 93 90 100 2.2-4.1 4.0=76, 3297/3.0=17...(109) HG2 LYS 73 + HE2 LYS 73 OK 83 98 85 100 2.1-4.2 4.0=76, 3297/3.0=17...(110) HG2 LYS 47 + HE2 LYS 47 OK 60 92 65 100 2.3-4.2 3.8=90, 3.0/2154=20...(126) HG3 LYS 13 - HE3 LYS 12 far 0 100 0 - 5.4-9.4 HB2 LEU 14 - HE3 LYS 13 far 0 85 0 - 6.4-9.1 HB2 ARG 91 - HE3 LYS 90 far 0 70 0 - 6.4-8.4 HB2 LEU 14 - HE2 LYS 13 far 0 85 0 - 6.9-9.5 HG3 LYS 33 - HE3 LYS 12 far 0 99 0 - 7.4-10.5 HB2 LEU 14 - HE3 LYS 12 far 0 84 0 - 8.3-11.4 HB2 LEU 14 - HE3 LYS 90 far 0 56 0 - 8.5-10.0 HG3 LYS 66 - HE2 LYS 73 far 0 98 0 - 8.6-12.8 HG3 LYS 66 - HE3 LYS 73 far 0 93 0 - 8.7-13.0 HG2 LYS 66 - HE2 LYS 73 far 0 97 0 - 8.8-13.2 HG3 LYS 24 - HE3 LYS 90 far 0 70 0 - 8.9-11.4 HB ILE 7 - HE3 LYS 12 far 0 84 0 - 8.9-13.3 HG2 LYS 66 - HE3 LYS 73 far 0 92 0 - 9.0-13.0 HG LEU 38 - HE3 LYS 73 far 0 52 0 - 9.5-14.2 HG LEU 38 - HE2 LYS 73 far 0 58 0 - 9.9-14.2 HG LEU 2 - HE3 LYS 47 far 0 84 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 567 from cnoeabs.peaks (1.70, 2.96, 41.80 ppm; 2.63 A): 19 out of 78 assignments used, quality = 1.00: HD3 LYS 13 + HE2 LYS 13 OK 78 100 85 92 2.3-3.0 2.9=72, 3.0/474=9...(52) HD2 LYS 24 + HE3 LYS 24 OK 76 100 85 90 2.3-3.0 3.0=69, 1.8/559=5...(50) HD3 LYS 47 + HE2 LYS 47 OK 68 83 90 91 2.3-3.0 3.0=69, 3.9/2155=8...(59) HD2 LYS 12 + HE3 LYS 12 OK 66 100 75 88 2.3-3.0 3.0=69, ~463=15, ~423=14...(24) HD2 LYS 13 + HE3 LYS 13 OK 60 100 65 92 2.3-3.0 2.9=72, 3.0/474=10...(52) HD3 LYS 90 + HE3 LYS 90 OK 58 73 90 88 2.2-3.0 3.0=70, 3981/4.8=15...(19) HD3 LYS 12 + HE3 LYS 12 OK 57 100 65 88 2.3-3.0 3.0=69, ~463=15, ~423=14...(24) HD3 LYS 24 + HE2 LYS 24 OK 54 100 60 90 2.3-3.0 3.0=69, 1121/3.7=6...(50) HD3 LYS 24 + HE3 LYS 24 OK 50 100 55 90 2.4-3.0 3.0=69, 1121/3.7=6...(50) HD2 LYS 24 + HE2 LYS 24 OK 49 100 55 90 2.4-3.0 3.0=69, 3.0/1093=5...(50) HD2 LYS 47 + HE3 LYS 47 OK 48 82 65 90 2.3-3.0 3.0=69, 3.9/2155=8...(58) HD3 LYS 13 + HE3 LYS 13 OK 46 100 50 92 2.5-3.0 2.9=72, 3.0/474=10...(52) * HD2 LYS 13 + HE2 LYS 13 OK 46 100 50 92 2.5-3.0 2.9=72, 3.0/474=9...(52) HD2 LYS 73 + HE3 LYS 73 OK 40 62 75 87 2.3-3.0 3.0=68, 3298/4.0=5...(47) HD3 LYS 73 + HE2 LYS 73 OK 39 63 70 88 2.3-3.0 3.0=68, 3298/4.0=6...(51) HD2 LYS 47 + HE2 LYS 47 OK 37 82 50 90 2.3-3.0 3.0=69, 3.9/2154=8...(58) HD3 LYS 47 + HE3 LYS 47 OK 34 83 45 90 2.3-3.0 3.0=69, 3.9/2154=8...(59) HD2 LYS 73 + HE2 LYS 73 OK 32 67 55 87 2.5-3.0 3.0=68, 3298/4.0=5...(47) HD3 LYS 73 + HE3 LYS 73 OK 28 58 55 88 2.5-3.0 3.0=68, 3298/4.0=6...(51) HB ILE 15 - HE3 LYS 12 far 4 78 5 - 2.2-6.9 HD2 LYS 90 - HE3 LYS 90 far 4 36 10 - 2.6-3.0 HG LEU 70 - HE3 LYS 73 far 0 93 0 - 3.5-8.3 HG LEU 70 - HE2 LYS 73 far 0 98 0 - 3.8-8.4 HG2 PRO 86 - HE3 LYS 13 far 0 99 0 - 4.2-9.0 HB3 LEU 70 - HE3 LYS 73 far 0 87 0 - 4.4-8.9 HD3 LYS 20 - HE3 LYS 90 far 0 55 0 - 4.4-8.4 HG12 ILE 15 - HE3 LYS 12 far 0 99 0 - 4.6-8.2 HB3 LEU 70 - HE2 LYS 73 far 0 93 0 - 4.6-9.1 HG3 LYS 20 - HE3 LYS 90 far 0 55 0 - 4.9-8.9 HG2 PRO 86 - HE2 LYS 13 far 0 99 0 - 5.0-9.6 HG3 LYS 20 - HE2 LYS 24 far 0 84 0 - 5.4-11.6 HG2 PRO 86 - HE3 LYS 90 far 0 71 0 - 5.5-7.5 HD2 LYS 20 - HE3 LYS 90 far 0 58 0 - 5.6-8.5 HD3 LYS 20 - HE3 LYS 24 far 0 84 0 - 5.8-12.5 HD3 LYS 33 - HE3 LYS 12 far 0 86 0 - 5.8-9.2 HD3 LYS 20 - HE2 LYS 24 far 0 84 0 - 6.1-12.3 HG3 LYS 20 - HE3 LYS 24 far 0 84 0 - 6.2-11.6 HD3 LYS 12 - HE3 LYS 13 far 0 100 0 - 6.5-10.7 HD2 LYS 20 - HE2 LYS 13 far 0 88 0 - 6.5-12.1 HD3 LYS 66 - HE2 LYS 73 far 0 98 0 - 6.6-10.6 HD2 LYS 20 - HE3 LYS 24 far 0 88 0 - 6.9-12.0 HD2 LYS 33 - HE3 LYS 12 far 0 86 0 - 6.9-10.5 HD3 LYS 66 - HE3 LYS 73 far 0 93 0 - 6.9-10.7 HD2 LYS 24 - HE3 LYS 90 far 0 73 0 - 7.1-11.6 HB ILE 15 - HE3 LYS 13 far 0 79 0 - 7.1-10.8 HD2 LYS 12 - HE3 LYS 13 far 0 100 0 - 7.1-11.2 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.2-12.0 HD3 LYS 24 - HE3 LYS 90 far 0 73 0 - 7.3-10.7 HD3 LYS 13 - HE3 LYS 12 far 0 100 0 - 7.3-11.8 HB3 ARG 91 - HE3 LYS 90 far 0 64 0 - 7.4-8.9 HD3 LYS 90 - HE3 LYS 13 far 0 100 0 - 7.4-13.8 HB ILE 15 - HE2 LYS 13 far 0 79 0 - 7.4-11.0 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.5-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 88 0 - 7.5-11.7 HD3 LYS 20 - HE2 LYS 13 far 0 84 0 - 7.5-13.3 HD2 LYS 20 - HE3 LYS 13 far 0 88 0 - 7.5-11.8 HD3 LYS 20 - HE3 LYS 13 far 0 84 0 - 7.6-13.1 HD2 LYS 13 - HE3 LYS 12 far 0 100 0 - 7.7-11.9 HD2 LYS 13 - HE3 LYS 90 far 0 73 0 - 7.7-13.0 HD3 LYS 13 - HE3 LYS 90 far 0 73 0 - 8.0-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 87 0 - 8.1-13.3 HD3 LYS 20 - HE3 LYS 12 far 0 83 0 - 8.2-14.3 HB ILE 52 - HE3 LYS 47 far 0 67 0 - 8.2-11.2 HG3 LYS 20 - HE3 LYS 12 far 0 83 0 - 8.3-16.0 HD3 LYS 90 - HE2 LYS 13 far 0 100 0 - 8.4-13.0 HB ILE 52 - HE2 LYS 47 far 0 67 0 - 8.5-11.4 HG3 LYS 20 - HE2 LYS 13 far 0 84 0 - 8.6-13.7 HD2 LYS 90 - HE3 LYS 13 far 0 59 0 - 8.8-13.4 HD3 LYS 90 - HE3 LYS 24 far 0 100 0 - 8.9-13.3 HD2 LYS 90 - HE3 LYS 24 far 0 59 0 - 9.0-12.8 HB2 LEU 2 - HE3 LYS 47 far 0 93 0 - 9.3-13.4 HG3 LYS 20 - HE3 LYS 13 far 0 84 0 - 9.3-14.0 HD2 LYS 90 - HE2 LYS 24 far 0 59 0 - 9.4-13.4 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 9.6-13.5 HG12 ILE 15 - HE3 LYS 13 far 0 100 0 - 9.7-12.9 HB2 LEU 2 - HE2 LYS 47 far 0 93 0 - 9.7-13.4 HD2 LYS 90 - HE2 LYS 13 far 0 59 0 - 9.9-13.5 HB3 LYS 40 - HE2 LYS 47 far 0 85 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 568 from cnoeabs.peaks (1.70, 2.96, 41.80 ppm; 2.63 A): 19 out of 78 assignments used, quality = 1.00: * HD3 LYS 13 + HE2 LYS 13 OK 78 100 85 92 2.3-3.0 2.9=72, 3.0/474=9...(52) HD2 LYS 24 + HE3 LYS 24 OK 76 100 85 90 2.3-3.0 3.0=69, 1.8/559=5...(50) HD2 LYS 12 + HE3 LYS 12 OK 66 100 75 88 2.3-3.0 3.0=69, ~463=15, ~423=14...(24) HD3 LYS 47 + HE2 LYS 47 OK 66 80 90 91 2.3-3.0 3.0=69, 3.9/2154=8...(59) HD2 LYS 13 + HE3 LYS 13 OK 60 100 65 92 2.3-3.0 2.9=72, 3.0/474=10...(52) HD3 LYS 12 + HE3 LYS 12 OK 57 100 65 88 2.3-3.0 3.0=69, ~463=15, ~423=14...(24) HD3 LYS 90 + HE3 LYS 90 OK 57 72 90 88 2.2-3.0 3.0=70, 3981/4.8=15...(19) HD3 LYS 24 + HE2 LYS 24 OK 54 100 60 90 2.3-3.0 3.0=69, 1121/3.7=6...(50) HD3 LYS 24 + HE3 LYS 24 OK 49 100 55 90 2.4-3.0 3.0=69, 1121/3.7=6...(50) HD2 LYS 24 + HE2 LYS 24 OK 49 100 55 90 2.4-3.0 3.0=69, 3.0/1093=5...(50) HD2 LYS 47 + HE3 LYS 47 OK 46 79 65 90 2.3-3.0 3.0=69, 3.9/2155=8...(58) HD3 LYS 13 + HE3 LYS 13 OK 46 100 50 92 2.5-3.0 2.9=72, 3.0/474=10...(52) HD2 LYS 13 + HE2 LYS 13 OK 46 100 50 92 2.5-3.0 2.9=72, 3.0/474=9...(52) HD2 LYS 73 + HE3 LYS 73 OK 38 58 75 87 2.3-3.0 3.0=68, 3298/4.0=5...(47) HD3 LYS 73 + HE2 LYS 73 OK 37 60 70 88 2.3-3.0 3.0=68, 3298/4.0=5...(51) HD2 LYS 47 + HE2 LYS 47 OK 36 79 50 90 2.3-3.0 3.0=69, 3.9/2154=8...(58) HD3 LYS 47 + HE3 LYS 47 OK 33 80 45 90 2.3-3.0 3.0=69, 3.9/2154=8...(59) HD2 LYS 73 + HE2 LYS 73 OK 30 63 55 87 2.5-3.0 3.0=68, 3298/4.0=5...(47) HD3 LYS 73 + HE3 LYS 73 OK 26 54 55 88 2.5-3.0 3.0=68, 3298/4.0=5...(51) HB ILE 15 - HE3 LYS 12 far 4 81 5 - 2.2-6.9 HD2 LYS 90 - HE3 LYS 90 far 4 39 10 - 2.6-3.0 HG LEU 70 - HE3 LYS 73 far 0 93 0 - 3.5-8.3 HG LEU 70 - HE2 LYS 73 far 0 98 0 - 3.8-8.4 HG2 PRO 86 - HE3 LYS 13 far 0 99 0 - 4.2-9.0 HB3 LEU 70 - HE3 LYS 73 far 0 89 0 - 4.4-8.9 HD3 LYS 20 - HE3 LYS 90 far 0 52 0 - 4.4-8.4 HG12 ILE 15 - HE3 LYS 12 far 0 98 0 - 4.6-8.2 HB3 LEU 70 - HE2 LYS 73 far 0 94 0 - 4.6-9.1 HG3 LYS 20 - HE3 LYS 90 far 0 52 0 - 4.9-8.9 HG2 PRO 86 - HE2 LYS 13 far 0 99 0 - 5.0-9.6 HG3 LYS 20 - HE2 LYS 24 far 0 80 0 - 5.4-11.6 HG2 PRO 86 - HE3 LYS 90 far 0 70 0 - 5.5-7.5 HD2 LYS 20 - HE3 LYS 90 far 0 56 0 - 5.6-8.5 HD3 LYS 20 - HE3 LYS 24 far 0 80 0 - 5.8-12.5 HD3 LYS 33 - HE3 LYS 12 far 0 88 0 - 5.8-9.2 HD3 LYS 20 - HE2 LYS 24 far 0 80 0 - 6.1-12.3 HG3 LYS 20 - HE3 LYS 24 far 0 80 0 - 6.2-11.6 HD3 LYS 12 - HE3 LYS 13 far 0 100 0 - 6.5-10.7 HD2 LYS 20 - HE2 LYS 13 far 0 85 0 - 6.5-12.1 HD3 LYS 66 - HE2 LYS 73 far 0 98 0 - 6.6-10.6 HD2 LYS 20 - HE3 LYS 24 far 0 85 0 - 6.9-12.0 HD2 LYS 33 - HE3 LYS 12 far 0 88 0 - 6.9-10.5 HD3 LYS 66 - HE3 LYS 73 far 0 93 0 - 6.9-10.7 HD2 LYS 24 - HE3 LYS 90 far 0 72 0 - 7.1-11.6 HB ILE 15 - HE3 LYS 13 far 0 82 0 - 7.1-10.8 HD2 LYS 12 - HE3 LYS 13 far 0 100 0 - 7.1-11.2 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.2-12.0 HD3 LYS 24 - HE3 LYS 90 far 0 72 0 - 7.3-10.7 HD3 LYS 13 - HE3 LYS 12 far 0 100 0 - 7.3-11.8 HB3 ARG 91 - HE3 LYS 90 far 0 62 0 - 7.4-8.9 HD3 LYS 90 - HE3 LYS 13 far 0 100 0 - 7.4-13.8 HB ILE 15 - HE2 LYS 13 far 0 82 0 - 7.4-11.0 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.5-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 85 0 - 7.5-11.7 HD3 LYS 20 - HE2 LYS 13 far 0 81 0 - 7.5-13.3 HD2 LYS 20 - HE3 LYS 13 far 0 85 0 - 7.5-11.8 HD3 LYS 20 - HE3 LYS 13 far 0 80 0 - 7.6-13.1 HD2 LYS 13 - HE3 LYS 12 far 0 100 0 - 7.7-11.9 HD2 LYS 13 - HE3 LYS 90 far 0 73 0 - 7.7-13.0 HD3 LYS 13 - HE3 LYS 90 far 0 73 0 - 8.0-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 84 0 - 8.1-13.3 HD3 LYS 20 - HE3 LYS 12 far 0 79 0 - 8.2-14.3 HB ILE 52 - HE3 LYS 47 far 0 63 0 - 8.2-11.2 HG3 LYS 20 - HE3 LYS 12 far 0 79 0 - 8.3-16.0 HD3 LYS 90 - HE2 LYS 13 far 0 100 0 - 8.4-13.0 HB ILE 52 - HE2 LYS 47 far 0 63 0 - 8.5-11.4 HG3 LYS 20 - HE2 LYS 13 far 0 81 0 - 8.6-13.7 HD2 LYS 90 - HE3 LYS 13 far 0 63 0 - 8.8-13.4 HD3 LYS 90 - HE3 LYS 24 far 0 100 0 - 8.9-13.3 HD2 LYS 90 - HE3 LYS 24 far 0 63 0 - 9.0-12.8 HB2 LEU 2 - HE3 LYS 47 far 0 93 0 - 9.3-13.4 HG3 LYS 20 - HE3 LYS 13 far 0 80 0 - 9.3-14.0 HD2 LYS 90 - HE2 LYS 24 far 0 63 0 - 9.4-13.4 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 9.6-13.5 HG12 ILE 15 - HE3 LYS 13 far 0 99 0 - 9.7-12.9 HB2 LEU 2 - HE2 LYS 47 far 0 93 0 - 9.7-13.4 HD2 LYS 90 - HE2 LYS 13 far 0 63 0 - 9.9-13.5 HB3 LYS 40 - HE2 LYS 47 far 0 83 0 - 9.9-14.0 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): 4 out of 19 assignments used, quality = 1.00: * H LYS 13 + HE3 LYS 13 OK 100 100 100 100 3.6-6.2 6177/3.8=98, 6167/3.8=97...(24) H LYS 13 + HE2 LYS 13 OK 100 100 100 100 4.4-6.5 6177/3.8=98, 6167/3.8=97...(24) H GLU 17 + HE3 LYS 90 OK 66 74 90 100 5.2-7.4 6258/9045=89...(6) H LYS 90 + HE3 LYS 90 OK 55 55 100 100 4.8-5.4 7.0=81, 7422/3.0=72...(15) H GLU 17 - HE3 LYS 13 poor 20 98 20 - 5.9-9.9 H LYS 13 - HE3 LYS 12 far 15 99 15 - 4.2-7.7 H GLU 17 - HE2 LYS 13 far 15 98 15 - 5.4-9.9 H ILE 15 - HE3 LYS 12 far 10 99 10 - 4.3-8.3 H GLU 75 - HE3 LYS 73 far 10 96 10 - 6.5-9.1 H ILE 15 - HE3 LYS 13 far 5 100 5 - 6.5-9.4 H ILE 15 - HE2 LYS 13 far 5 100 5 - 6.5-9.6 H GLU 75 - HE2 LYS 73 far 5 99 5 - 6.8-9.0 H GLU 17 - HE3 LYS 12 far 5 96 5 - 6.4-11.3 H LYS 39 - HE3 LYS 73 far 0 94 0 - 7.7-13.7 H LYS 39 - HE2 LYS 73 far 0 98 0 - 8.2-14.0 H ILE 15 - HE3 LYS 90 far 0 78 0 - 8.9-11.0 H LYS 90 - HE3 LYS 24 far 0 78 0 - 9.4-13.5 H GLU 17 - HE3 LYS 24 far 0 98 0 - 9.8-14.7 H LYS 90 - HE2 LYS 24 far 0 78 0 - 10.0-14.0 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 15 assignments used, quality = 1.00: * HA LYS 13 + HE3 LYS 13 OK 85 100 85 100 2.5-6.1 486/3.8=78, 518/3.8=71...(50) HA LYS 13 + HE2 LYS 13 OK 80 100 80 100 2.1-6.0 486/3.8=78, 518/3.8=71...(50) HA LYS 47 + HE3 LYS 47 OK 74 87 85 100 2.3-6.1 2126/3.8=53, 2127/3.8=52...(80) HA LYS 73 + HE2 LYS 73 OK 65 93 70 100 3.2-5.9 3232/4.0=46, 6.7=39...(63) HA LYS 47 + HE2 LYS 47 OK 48 87 55 100 2.3-6.0 2126/3.8=53, 2127/3.8=52...(79) HA LYS 73 + HE3 LYS 73 OK 44 88 50 100 2.8-6.4 3232/4.0=46, 6.7=39...(64) HA GLU 23 - HE3 LYS 24 far 5 99 5 - 4.4-10.2 HA LYS 13 - HE3 LYS 12 far 0 99 0 - 5.8-9.0 HA GLU 23 - HE2 LYS 24 far 0 99 0 - 5.9-10.3 HA GLN 72 - HE3 LYS 73 far 0 96 0 - 6.9-9.6 HA GLN 72 - HE2 LYS 73 far 0 99 0 - 7.4-9.5 HB3 SER 85 - HE3 LYS 90 far 0 44 0 - 8.0-9.5 HA LYS 13 - HE3 LYS 90 far 0 78 0 - 8.1-11.0 HB3 SER 85 - HE3 LYS 13 far 0 65 0 - 8.8-13.2 HB3 SER 85 - HE2 LYS 13 far 0 65 0 - 9.3-13.0 Violated in 0 structures by 0.00 A. Peak 574 from cnoeabs.peaks (1.92, 2.96, 41.80 ppm; 3.45 A): 5 out of 48 assignments used, quality = 0.92: HB2 GLU 17 + HE3 LYS 90 OK 50 60 90 93 2.1-4.1 3.0/9045=34...(17) HB3 LYS 47 + HE3 LYS 47 OK 44 89 50 99 2.1-4.8 4.9=36, 2154/1.8=23...(116) HB3 LYS 13 + HE3 LYS 13 OK 40 100 40 99 2.2-4.8 5.0=33, 3.0/474=18...(82) HB3 LYS 13 + HE2 LYS 13 OK 35 100 35 99 2.1-4.7 5.0=33, 3.0/474=17...(83) HB3 LYS 47 + HE2 LYS 47 OK 31 89 35 100 2.7-5.0 4.9=36, 2154/1.8=24...(116) HB2 LYS 13 - HE2 LYS 13 far 15 100 15 - 3.6-5.5 ! HB2 LYS 13 - HE3 LYS 13 far 10 100 10 - 3.2-5.0 HB2 LYS 20 - HE2 LYS 24 far 4 81 5 - 3.7-9.3 HB2 LYS 20 - HE3 LYS 24 far 0 81 0 - 3.9-10.0 HB3 LYS 20 - HE2 LYS 24 far 0 93 0 - 4.4-9.6 HB3 LYS 20 - HE3 LYS 24 far 0 93 0 - 4.6-9.9 HB2 GLU 43 - HE2 LYS 47 far 0 87 0 - 4.7-8.5 HB3 LYS 20 - HE3 LYS 90 far 0 69 0 - 5.2-7.6 HB2 LYS 94 - HE2 LYS 24 far 0 99 0 - 5.4-12.9 HB2 GLU 43 - HE3 LYS 47 far 0 87 0 - 5.8-8.2 HB2 LYS 13 - HE3 LYS 12 far 0 99 0 - 6.4-9.9 HB2 LYS 20 - HE3 LYS 90 far 0 58 0 - 6.5-7.8 HB3 ARG 19 - HE3 LYS 12 far 0 96 0 - 6.6-11.9 HB2 GLU 17 - HE3 LYS 13 far 0 85 0 - 6.7-11.6 HB3 LEU 14 - HE3 LYS 12 far 0 95 0 - 6.9-10.2 HB2 LYS 94 - HE3 LYS 24 far 0 99 0 - 7.1-13.1 HB3 LEU 14 - HE3 LYS 13 far 0 97 0 - 7.3-9.7 HB2 GLU 17 - HE2 LYS 13 far 0 85 0 - 7.5-11.7 HB3 LEU 14 - HE2 LYS 13 far 0 97 0 - 7.6-9.8 HB2 ARG 19 - HE3 LYS 12 far 0 84 0 - 7.6-13.0 HB3 LYS 13 - HE3 LYS 90 far 0 78 0 - 7.6-10.5 HB2 ARG 19 - HE3 LYS 24 far 0 86 0 - 7.7-13.6 HB3 LYS 13 - HE3 LYS 12 far 0 99 0 - 7.7-10.8 HB3 LYS 33 - HE3 LYS 12 far 0 99 0 - 7.9-11.0 HB3 ARG 19 - HE3 LYS 24 far 0 97 0 - 8.2-13.6 HB2 LYS 94 - HE3 LYS 90 far 0 77 0 - 8.3-10.7 HB2 GLU 17 - HE3 LYS 24 far 0 85 0 - 8.3-12.9 HB3 ARG 19 - HE3 LYS 90 far 0 73 0 - 8.8-10.2 HG LEU 42 - HE3 LYS 73 far 0 84 0 - 8.9-13.9 HB2 ARG 19 - HE2 LYS 24 far 0 86 0 - 9.0-13.8 HB2 GLU 17 - HE2 LYS 24 far 0 85 0 - 9.0-12.7 HB3 ARG 19 - HE2 LYS 24 far 0 97 0 - 9.2-13.7 HB2 LYS 33 - HE3 LYS 12 far 0 99 0 - 9.2-12.5 HB2 LYS 13 - HE3 LYS 90 far 0 78 0 - 9.3-11.9 HB3 LEU 14 - HE3 LYS 90 far 0 72 0 - 9.3-11.1 HB3 ARG 19 - HE2 LYS 13 far 0 97 0 - 9.4-14.5 HB3 LYS 20 - HE2 LYS 13 far 0 94 0 - 9.4-14.2 HG3 GLU 88 - HE3 LYS 90 far 0 58 0 - 9.5-10.9 HB3 LYS 20 - HE3 LYS 13 far 0 94 0 - 9.6-14.5 HB3 ARG 19 - HE3 LYS 13 far 0 98 0 - 9.8-14.5 HB3 LYS 20 - HE3 LYS 12 far 0 92 0 - 9.9-16.5 HB2 GLU 17 - HE3 LYS 12 far 0 83 0 - 9.9-14.7 HG LEU 42 - HE2 LYS 73 far 0 89 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 575 from cnoeabs.peaks (1.91, 2.96, 41.80 ppm; 3.45 A): 5 out of 48 assignments used, quality = 0.92: HB2 GLU 17 + HE3 LYS 90 OK 48 58 90 93 2.1-4.1 3.0/9045=34...(17) HB3 LYS 47 + HE3 LYS 47 OK 43 87 50 99 2.1-4.8 4.9=36, 2155/1.8=23...(116) * HB3 LYS 13 + HE3 LYS 13 OK 40 100 40 99 2.2-4.8 5.0=33, 3.0/474=18...(82) HB3 LYS 13 + HE2 LYS 13 OK 35 100 35 99 2.1-4.7 5.0=33, 3.0/474=17...(83) HB3 LYS 47 + HE2 LYS 47 OK 30 87 35 100 2.7-5.0 4.9=36, 2155/1.8=24...(116) HB2 LYS 13 - HE2 LYS 13 far 15 100 15 - 3.6-5.5 HB2 LYS 13 - HE3 LYS 13 far 10 100 10 - 3.2-5.0 HB2 LYS 20 - HE2 LYS 24 far 4 85 5 - 3.7-9.3 HB2 LYS 20 - HE3 LYS 24 far 0 85 0 - 3.9-10.0 HB3 LYS 20 - HE2 LYS 24 far 0 91 0 - 4.4-9.6 HB3 LYS 20 - HE3 LYS 24 far 0 91 0 - 4.6-9.9 HB2 GLU 43 - HE2 LYS 47 far 0 89 0 - 4.7-8.5 HB3 LYS 20 - HE3 LYS 90 far 0 66 0 - 5.2-7.6 HB2 LYS 94 - HE2 LYS 24 far 0 99 0 - 5.4-12.9 HB2 GLU 43 - HE3 LYS 47 far 0 89 0 - 5.8-8.2 HB2 LYS 13 - HE3 LYS 12 far 0 99 0 - 6.4-9.9 HB2 LYS 20 - HE3 LYS 90 far 0 60 0 - 6.5-7.8 HB3 ARG 19 - HE3 LYS 12 far 0 94 0 - 6.6-11.9 HB2 GLU 17 - HE3 LYS 13 far 0 82 0 - 6.7-11.6 HB3 LEU 14 - HE3 LYS 12 far 0 96 0 - 6.9-10.2 HB2 LYS 94 - HE3 LYS 24 far 0 99 0 - 7.1-13.1 HB3 LEU 14 - HE3 LYS 13 far 0 98 0 - 7.3-9.7 HB2 GLU 17 - HE2 LYS 13 far 0 82 0 - 7.5-11.7 HB3 LEU 14 - HE2 LYS 13 far 0 98 0 - 7.6-9.8 HB2 ARG 19 - HE3 LYS 12 far 0 87 0 - 7.6-13.0 HB3 LYS 13 - HE3 LYS 90 far 0 78 0 - 7.6-10.5 HB2 ARG 19 - HE3 LYS 24 far 0 89 0 - 7.7-13.6 HB3 LYS 13 - HE3 LYS 12 far 0 99 0 - 7.7-10.8 HB3 LYS 33 - HE3 LYS 12 far 0 99 0 - 7.9-11.0 HB3 ARG 19 - HE3 LYS 24 far 0 96 0 - 8.2-13.6 HB2 LYS 94 - HE3 LYS 90 far 0 76 0 - 8.3-10.7 HB2 GLU 17 - HE3 LYS 24 far 0 81 0 - 8.3-12.9 HB3 ARG 19 - HE3 LYS 90 far 0 72 0 - 8.8-10.2 HG LEU 42 - HE3 LYS 73 far 0 87 0 - 8.9-13.9 HB2 ARG 19 - HE2 LYS 24 far 0 89 0 - 9.0-13.8 HB2 GLU 17 - HE2 LYS 24 far 0 81 0 - 9.0-12.7 HB3 ARG 19 - HE2 LYS 24 far 0 96 0 - 9.2-13.7 HB2 LYS 33 - HE3 LYS 12 far 0 99 0 - 9.2-12.5 HB2 LYS 13 - HE3 LYS 90 far 0 78 0 - 9.3-11.9 HB3 LEU 14 - HE3 LYS 90 far 0 74 0 - 9.3-11.1 HB3 ARG 19 - HE2 LYS 13 far 0 96 0 - 9.4-14.5 HB3 LYS 20 - HE2 LYS 13 far 0 92 0 - 9.4-14.2 HG3 GLU 88 - HE3 LYS 90 far 0 55 0 - 9.5-10.9 HB3 LYS 20 - HE3 LYS 13 far 0 92 0 - 9.6-14.5 HB3 ARG 19 - HE3 LYS 13 far 0 96 0 - 9.8-14.5 HB3 LYS 20 - HE3 LYS 12 far 0 89 0 - 9.9-16.5 HB2 GLU 17 - HE3 LYS 12 far 0 80 0 - 9.9-14.7 HG LEU 42 - HE2 LYS 73 far 0 92 0 - 10.0-14.1 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 31 assignments used, quality = 1.00: * HG2 LYS 13 + HE3 LYS 13 OK 100 100 100 100 2.2-3.8 3.8=86, 518/6.0=21...(90) HG2 LYS 13 + HE2 LYS 13 OK 90 100 90 100 2.2-4.1 3.8=86, 518/6.0=21...(91) HG2 LYS 12 + HE3 LYS 12 OK 89 94 95 100 2.3-4.2 4.0=77, 423/1.8=61...(47) HG3 LYS 39 - HE3 LYS 73 far 5 93 5 - 3.6-12.5 HG3 LYS 39 - HE2 LYS 73 far 0 97 0 - 5.0-12.9 HG2 LYS 20 - HE3 LYS 24 far 0 81 0 - 5.3-10.7 HG2 LYS 20 - HE3 LYS 90 far 0 58 0 - 5.5-9.1 HG2 LYS 20 - HE2 LYS 24 far 0 81 0 - 5.8-10.7 QB ALA 22 - HE3 LYS 24 far 0 100 0 - 5.8-9.8 HG2 LYS 12 - HE3 LYS 13 far 0 96 0 - 6.4-10.4 HG2 LYS 13 - HE3 LYS 12 far 0 99 0 - 6.8-11.0 QB ALA 71 - HE3 LYS 73 far 0 84 0 - 7.0-9.6 QB ALA 71 - HE2 LYS 73 far 0 89 0 - 7.1-9.5 QB ALA 22 - HE2 LYS 24 far 0 100 0 - 7.3-9.9 HG2 LYS 12 - HE2 LYS 13 far 0 96 0 - 7.5-10.8 HB2 LEU 27 - HE3 LYS 24 far 0 81 0 - 8.5-12.9 HB2 LEU 38 - HE2 LYS 73 far 0 83 0 - 8.6-14.9 QB ALA 22 - HE3 LYS 90 far 0 78 0 - 8.7-9.3 HG13 ILE 76 - HE3 LYS 47 far 0 89 0 - 8.7-12.7 HG13 ILE 76 - HE3 LYS 73 far 0 95 0 - 8.9-13.3 HG13 ILE 52 - HE2 LYS 47 far 0 69 0 - 8.9-12.3 HB2 LEU 38 - HE3 LYS 73 far 0 78 0 - 8.9-14.7 HG2 LYS 20 - HE2 LYS 13 far 0 82 0 - 9.0-14.4 HG13 ILE 52 - HE3 LYS 47 far 0 69 0 - 9.0-12.3 HG3 ARG 91 - HE3 LYS 90 far 0 64 0 - 9.1-11.0 HG LEU 38 - HE3 LYS 73 far 0 71 0 - 9.5-14.2 HG12 ILE 7 - HE3 LYS 12 far 0 98 0 - 9.5-13.5 HG2 LYS 13 - HE3 LYS 90 far 0 78 0 - 9.6-12.1 HG2 LYS 20 - HE3 LYS 13 far 0 82 0 - 9.7-14.3 HG2 LYS 20 - HE3 LYS 12 far 0 80 0 - 9.8-15.0 HG LEU 38 - HE2 LYS 73 far 0 76 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 577 from cnoeabs.peaks (1.50, 2.96, 41.80 ppm; 3.64 A increased from 3.07 A): 8 out of 24 assignments used, quality = 1.00: * HG3 LYS 13 + HE3 LYS 13 OK 95 100 95 100 2.1-4.2 3.8=87, 486/6.0=22...(72) HG3 LYS 13 + HE2 LYS 13 OK 95 100 95 100 2.3-4.1 3.8=87, 486/6.0=22...(73) HG3 LYS 24 + HE2 LYS 24 OK 93 98 95 100 2.2-4.0 3.7=94, 1096/6.2=19...(103) HG3 LYS 24 + HE3 LYS 24 OK 93 98 95 100 2.3-4.2 3.7=94, 1096/6.2=19...(101) HG2 LYS 47 + HE3 LYS 47 OK 89 89 100 100 2.4-3.9 3.8=90, 3.0/2154=21...(121) HG2 LYS 73 + HE3 LYS 73 OK 85 95 90 100 2.2-4.1 4.0=76, 3297/3.0=17...(109) HG2 LYS 73 + HE2 LYS 73 OK 84 99 85 100 2.1-4.2 4.0=76, 3297/3.0=17...(110) HG2 LYS 47 + HE2 LYS 47 OK 58 89 65 100 2.3-4.2 3.8=90, 3.0/2154=20...(126) HG3 LYS 13 - HE3 LYS 12 far 0 99 0 - 5.4-9.4 HB2 LEU 14 - HE3 LYS 13 far 0 85 0 - 6.4-9.1 HB2 ARG 91 - HE3 LYS 90 far 0 75 0 - 6.4-8.4 HB2 LEU 14 - HE2 LYS 13 far 0 85 0 - 6.9-9.5 HG3 LYS 33 - HE3 LYS 12 far 0 98 0 - 7.4-10.5 HB2 LEU 14 - HE3 LYS 12 far 0 83 0 - 8.3-11.4 HB2 LEU 14 - HE3 LYS 90 far 0 60 0 - 8.5-10.0 HG3 LYS 66 - HE2 LYS 73 far 0 99 0 - 8.6-12.8 HG3 LYS 66 - HE3 LYS 73 far 0 95 0 - 8.7-13.0 HG2 LYS 66 - HE2 LYS 73 far 0 98 0 - 8.8-13.2 HG3 LYS 24 - HE3 LYS 90 far 0 75 0 - 8.9-11.4 HB ILE 7 - HE3 LYS 12 far 0 83 0 - 8.9-13.3 HG2 LYS 66 - HE3 LYS 73 far 0 95 0 - 9.0-13.0 HG LEU 38 - HE3 LYS 73 far 0 55 0 - 9.5-14.2 HG LEU 38 - HE2 LYS 73 far 0 59 0 - 9.9-14.2 HG LEU 2 - HE3 LYS 47 far 0 81 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 578 from cnoeabs.peaks (1.70, 2.96, 41.80 ppm; 2.63 A): 19 out of 78 assignments used, quality = 1.00: HD3 LYS 13 + HE2 LYS 13 OK 78 100 85 92 2.3-3.0 2.9=72, 3.0/474=9...(52) HD2 LYS 24 + HE3 LYS 24 OK 76 100 85 90 2.3-3.0 3.0=69, 1.8/559=5...(50) HD2 LYS 12 + HE3 LYS 12 OK 65 99 75 88 2.3-3.0 3.0=69, ~463=15, ~423=14...(24) HD3 LYS 47 + HE2 LYS 47 OK 65 80 90 91 2.3-3.0 3.0=69, 3.9/2155=7...(59) HD3 LYS 90 + HE3 LYS 90 OK 62 78 90 89 2.2-3.0 3.0=70, 2.9/4005=16...(19) * HD2 LYS 13 + HE3 LYS 13 OK 60 100 65 92 2.3-3.0 2.9=72, 3.0/474=10...(52) HD3 LYS 12 + HE3 LYS 12 OK 57 99 65 88 2.3-3.0 3.0=69, ~463=15, ~423=14...(24) HD3 LYS 24 + HE2 LYS 24 OK 54 100 60 90 2.3-3.0 3.0=69, 1121/3.7=6...(50) HD3 LYS 24 + HE3 LYS 24 OK 49 100 55 90 2.4-3.0 3.0=69, 1121/3.7=6...(50) HD2 LYS 24 + HE2 LYS 24 OK 49 100 55 90 2.4-3.0 3.0=69, 3.0/1093=5...(50) HD3 LYS 13 + HE3 LYS 13 OK 46 100 50 92 2.5-3.0 2.9=72, 3.0/474=10...(52) HD2 LYS 13 + HE2 LYS 13 OK 46 100 50 92 2.5-3.0 2.9=72, 3.0/474=9...(52) HD2 LYS 47 + HE3 LYS 47 OK 46 78 65 90 2.3-3.0 3.0=69, 3.9/2155=8...(58) HD2 LYS 73 + HE3 LYS 73 OK 42 64 75 87 2.3-3.0 3.0=68, 3298/4.0=5...(47) HD3 LYS 73 + HE2 LYS 73 OK 40 65 70 88 2.3-3.0 3.0=68, 3298/4.0=6...(51) HD2 LYS 47 + HE2 LYS 47 OK 35 78 50 90 2.3-3.0 3.0=69, 2195/3.8=8...(58) HD2 LYS 73 + HE2 LYS 73 OK 33 69 55 87 2.5-3.0 3.0=68, 3298/4.0=5...(47) HD3 LYS 47 + HE3 LYS 47 OK 32 80 45 90 2.3-3.0 3.0=69, 3.9/2154=8...(59) HD3 LYS 73 + HE3 LYS 73 OK 29 60 55 88 2.5-3.0 3.0=68, 3298/4.0=6...(51) HD2 LYS 90 - HE3 LYS 90 far 4 40 10 - 2.6-3.0 HB ILE 15 - HE3 LYS 12 far 4 76 5 - 2.2-6.9 HG LEU 70 - HE3 LYS 73 far 0 96 0 - 3.5-8.3 HG LEU 70 - HE2 LYS 73 far 0 99 0 - 3.8-8.4 HG2 PRO 86 - HE3 LYS 13 far 0 99 0 - 4.2-9.0 HB3 LEU 70 - HE3 LYS 73 far 0 90 0 - 4.4-8.9 HD3 LYS 20 - HE3 LYS 90 far 0 59 0 - 4.4-8.4 HG12 ILE 15 - HE3 LYS 12 far 0 98 0 - 4.6-8.2 HB3 LEU 70 - HE2 LYS 73 far 0 94 0 - 4.6-9.1 HG3 LYS 20 - HE3 LYS 90 far 0 59 0 - 4.9-8.9 HG2 PRO 86 - HE2 LYS 13 far 0 99 0 - 5.0-9.6 HG3 LYS 20 - HE2 LYS 24 far 0 83 0 - 5.4-11.6 HG2 PRO 86 - HE3 LYS 90 far 0 76 0 - 5.5-7.5 HD2 LYS 20 - HE3 LYS 90 far 0 63 0 - 5.6-8.5 HD3 LYS 20 - HE3 LYS 24 far 0 83 0 - 5.8-12.5 HD3 LYS 33 - HE3 LYS 12 far 0 84 0 - 5.8-9.2 HD3 LYS 20 - HE2 LYS 24 far 0 83 0 - 6.1-12.3 HG3 LYS 20 - HE3 LYS 24 far 0 83 0 - 6.2-11.6 HD3 LYS 12 - HE3 LYS 13 far 0 100 0 - 6.5-10.7 HD2 LYS 20 - HE2 LYS 13 far 0 88 0 - 6.5-12.1 HD3 LYS 66 - HE2 LYS 73 far 0 99 0 - 6.6-10.6 HD2 LYS 20 - HE3 LYS 24 far 0 87 0 - 6.9-12.0 HD2 LYS 33 - HE3 LYS 12 far 0 84 0 - 6.9-10.5 HD3 LYS 66 - HE3 LYS 73 far 0 96 0 - 6.9-10.7 HD2 LYS 24 - HE3 LYS 90 far 0 78 0 - 7.1-11.6 HB ILE 15 - HE3 LYS 13 far 0 79 0 - 7.1-10.8 HD2 LYS 12 - HE3 LYS 13 far 0 100 0 - 7.1-11.2 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.2-12.0 HD3 LYS 24 - HE3 LYS 90 far 0 78 0 - 7.3-10.7 HD3 LYS 13 - HE3 LYS 12 far 0 99 0 - 7.3-11.8 HB3 ARG 91 - HE3 LYS 90 far 0 69 0 - 7.4-8.9 HD3 LYS 90 - HE3 LYS 13 far 0 100 0 - 7.4-13.8 HB ILE 15 - HE2 LYS 13 far 0 79 0 - 7.4-11.0 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.5-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 87 0 - 7.5-11.7 HD3 LYS 20 - HE2 LYS 13 far 0 84 0 - 7.5-13.3 HD2 LYS 20 - HE3 LYS 13 far 0 88 0 - 7.5-11.8 HD3 LYS 20 - HE3 LYS 13 far 0 84 0 - 7.6-13.1 HD2 LYS 13 - HE3 LYS 12 far 0 99 0 - 7.7-11.9 HD2 LYS 13 - HE3 LYS 90 far 0 78 0 - 7.7-13.0 HD3 LYS 13 - HE3 LYS 90 far 0 78 0 - 8.0-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 86 0 - 8.1-13.3 HD3 LYS 20 - HE3 LYS 12 far 0 81 0 - 8.2-14.3 HB ILE 52 - HE3 LYS 47 far 0 64 0 - 8.2-11.2 HG3 LYS 20 - HE3 LYS 12 far 0 81 0 - 8.3-16.0 HD3 LYS 90 - HE2 LYS 13 far 0 100 0 - 8.4-13.0 HB ILE 52 - HE2 LYS 47 far 0 64 0 - 8.5-11.4 HG3 LYS 20 - HE2 LYS 13 far 0 84 0 - 8.6-13.7 HD2 LYS 90 - HE3 LYS 13 far 0 59 0 - 8.8-13.4 HD3 LYS 90 - HE3 LYS 24 far 0 100 0 - 8.9-13.3 HD2 LYS 90 - HE3 LYS 24 far 0 59 0 - 9.0-12.8 HB2 LEU 2 - HE3 LYS 47 far 0 90 0 - 9.3-13.4 HG3 LYS 20 - HE3 LYS 13 far 0 84 0 - 9.3-14.0 HD2 LYS 90 - HE2 LYS 24 far 0 59 0 - 9.4-13.4 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 9.6-13.5 HG12 ILE 15 - HE3 LYS 13 far 0 100 0 - 9.7-12.9 HB2 LEU 2 - HE2 LYS 47 far 0 90 0 - 9.7-13.4 HD2 LYS 90 - HE2 LYS 13 far 0 59 0 - 9.9-13.5 HB3 LYS 40 - HE2 LYS 47 far 0 82 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 579 from cnoeabs.peaks (1.70, 2.96, 41.80 ppm; 2.63 A): 19 out of 78 assignments used, quality = 1.00: HD3 LYS 13 + HE2 LYS 13 OK 78 100 85 92 2.3-3.0 2.9=72, 3.0/474=9...(52) HD2 LYS 24 + HE3 LYS 24 OK 76 99 85 90 2.3-3.0 3.0=69, 1.8/559=5...(50) HD2 LYS 12 + HE3 LYS 12 OK 65 99 75 88 2.3-3.0 3.0=69, ~463=15, ~423=14...(24) HD3 LYS 47 + HE2 LYS 47 OK 63 77 90 91 2.3-3.0 3.0=69, 3.9/2155=7...(59) HD3 LYS 90 + HE3 LYS 90 OK 62 77 90 89 2.2-3.0 3.0=70, 2.9/4005=16...(19) HD2 LYS 13 + HE3 LYS 13 OK 60 100 65 92 2.3-3.0 2.9=72, 3.0/474=10...(52) HD3 LYS 12 + HE3 LYS 12 OK 57 99 65 88 2.3-3.0 3.0=69, ~463=15, ~423=14...(24) HD3 LYS 24 + HE2 LYS 24 OK 54 99 60 90 2.3-3.0 3.0=69, 1121/3.7=6...(50) HD3 LYS 24 + HE3 LYS 24 OK 49 99 55 90 2.4-3.0 3.0=69, 1121/3.7=6...(50) HD2 LYS 24 + HE2 LYS 24 OK 49 99 55 90 2.4-3.0 3.0=69, 3.0/1092=5...(50) * HD3 LYS 13 + HE3 LYS 13 OK 46 100 50 92 2.5-3.0 2.9=72, 3.0/474=10...(52) HD2 LYS 13 + HE2 LYS 13 OK 46 100 50 92 2.5-3.0 2.9=72, 3.0/474=9...(52) HD2 LYS 47 + HE3 LYS 47 OK 44 76 65 90 2.3-3.0 3.0=69, 3.9/2154=8...(58) HD2 LYS 73 + HE3 LYS 73 OK 40 60 75 87 2.3-3.0 3.0=68, 3298/4.0=5...(47) HD3 LYS 73 + HE2 LYS 73 OK 38 61 70 88 2.3-3.0 3.0=68, 3298/4.0=5...(51) HD2 LYS 47 + HE2 LYS 47 OK 34 76 50 90 2.3-3.0 3.0=69, 3.9/2154=7...(58) HD3 LYS 47 + HE3 LYS 47 OK 31 77 45 90 2.3-3.0 3.0=69, 3.9/2155=8...(59) HD2 LYS 73 + HE2 LYS 73 OK 31 65 55 87 2.5-3.0 3.0=68, 3298/4.0=5...(47) HD3 LYS 73 + HE3 LYS 73 OK 27 57 55 88 2.5-3.0 3.0=68, 3298/4.0=5...(51) HD2 LYS 90 - HE3 LYS 90 far 4 43 10 - 2.6-3.0 HB ILE 15 - HE3 LYS 12 far 4 80 5 - 2.2-6.9 HG LEU 70 - HE3 LYS 73 far 0 95 0 - 3.5-8.3 HG LEU 70 - HE2 LYS 73 far 0 99 0 - 3.8-8.4 HG2 PRO 86 - HE3 LYS 13 far 0 99 0 - 4.2-9.0 HB3 LEU 70 - HE3 LYS 73 far 0 91 0 - 4.4-8.9 HD3 LYS 20 - HE3 LYS 90 far 0 56 0 - 4.4-8.4 HG12 ILE 15 - HE3 LYS 12 far 0 98 0 - 4.6-8.2 HB3 LEU 70 - HE2 LYS 73 far 0 96 0 - 4.6-9.1 HG3 LYS 20 - HE3 LYS 90 far 0 56 0 - 4.9-8.9 HG2 PRO 86 - HE2 LYS 13 far 0 99 0 - 5.0-9.6 HG3 LYS 20 - HE2 LYS 24 far 0 80 0 - 5.4-11.6 HG2 PRO 86 - HE3 LYS 90 far 0 75 0 - 5.5-7.5 HD2 LYS 20 - HE3 LYS 90 far 0 60 0 - 5.6-8.5 HD3 LYS 20 - HE3 LYS 24 far 0 80 0 - 5.8-12.5 HD3 LYS 33 - HE3 LYS 12 far 0 87 0 - 5.8-9.2 HD3 LYS 20 - HE2 LYS 24 far 0 80 0 - 6.1-12.3 HG3 LYS 20 - HE3 LYS 24 far 0 80 0 - 6.2-11.6 HD3 LYS 12 - HE3 LYS 13 far 0 100 0 - 6.5-10.7 HD2 LYS 20 - HE2 LYS 13 far 0 85 0 - 6.5-12.1 HD3 LYS 66 - HE2 LYS 73 far 0 99 0 - 6.6-10.6 HD2 LYS 20 - HE3 LYS 24 far 0 85 0 - 6.9-12.0 HD2 LYS 33 - HE3 LYS 12 far 0 87 0 - 6.9-10.5 HD3 LYS 66 - HE3 LYS 73 far 0 96 0 - 6.9-10.7 HD2 LYS 24 - HE3 LYS 90 far 0 77 0 - 7.1-11.6 HB ILE 15 - HE3 LYS 13 far 0 82 0 - 7.1-10.8 HD2 LYS 12 - HE3 LYS 13 far 0 100 0 - 7.1-11.2 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.2-12.0 HD3 LYS 24 - HE3 LYS 90 far 0 77 0 - 7.3-10.7 HD3 LYS 13 - HE3 LYS 12 far 0 99 0 - 7.3-11.8 HB3 ARG 91 - HE3 LYS 90 far 0 66 0 - 7.4-8.9 HD3 LYS 90 - HE3 LYS 13 far 0 100 0 - 7.4-13.8 HB ILE 15 - HE2 LYS 13 far 0 82 0 - 7.4-11.0 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.5-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 85 0 - 7.5-11.7 HD3 LYS 20 - HE2 LYS 13 far 0 80 0 - 7.5-13.3 HD2 LYS 20 - HE3 LYS 13 far 0 85 0 - 7.5-11.8 HD3 LYS 20 - HE3 LYS 13 far 0 81 0 - 7.6-13.1 HD2 LYS 13 - HE3 LYS 12 far 0 99 0 - 7.7-11.9 HD2 LYS 13 - HE3 LYS 90 far 0 78 0 - 7.7-13.0 HD3 LYS 13 - HE3 LYS 90 far 0 78 0 - 8.0-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 83 0 - 8.1-13.3 HD3 LYS 20 - HE3 LYS 12 far 0 78 0 - 8.2-14.3 HB ILE 52 - HE3 LYS 47 far 0 60 0 - 8.2-11.2 HG3 LYS 20 - HE3 LYS 12 far 0 78 0 - 8.3-16.0 HD3 LYS 90 - HE2 LYS 13 far 0 100 0 - 8.4-13.0 HB ILE 52 - HE2 LYS 47 far 0 60 0 - 8.5-11.4 HG3 LYS 20 - HE2 LYS 13 far 0 80 0 - 8.6-13.7 HD2 LYS 90 - HE3 LYS 13 far 0 63 0 - 8.8-13.4 HD3 LYS 90 - HE3 LYS 24 far 0 99 0 - 8.9-13.3 HD2 LYS 90 - HE3 LYS 24 far 0 63 0 - 9.0-12.8 HB2 LEU 2 - HE3 LYS 47 far 0 90 0 - 9.3-13.4 HG3 LYS 20 - HE3 LYS 13 far 0 81 0 - 9.3-14.0 HD2 LYS 90 - HE2 LYS 24 far 0 63 0 - 9.4-13.4 HD3 LYS 90 - HE2 LYS 24 far 0 99 0 - 9.6-13.5 HG12 ILE 15 - HE3 LYS 13 far 0 99 0 - 9.7-12.9 HB2 LEU 2 - HE2 LYS 47 far 0 90 0 - 9.7-13.4 HD2 LYS 90 - HE2 LYS 13 far 0 63 0 - 9.9-13.5 HB3 LYS 40 - HE2 LYS 47 far 0 80 0 - 9.9-14.0 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 - 6.9-7.4 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): 1 out of 11 assignments used, quality = 1.00: * HB2 LEU 14 + HA LEU 14 OK 100 100 100 100 2.3-2.4 3.0=100 HB2 ARG 91 - HA GLU 88 poor 15 29 50 - 3.7-4.2 HG3 LYS 13 - HA LEU 14 far 0 85 0 - 6.4-6.6 HG2 LYS 33 - HA GLU 37 far 0 32 0 - 6.7-7.2 HG LEU 57 - HA GLU 88 far 0 45 0 - 7.6-8.1 HG3 LYS 33 - HA GLU 37 far 0 39 0 - 7.8-8.3 HB ILE 7 - HA LEU 14 far 0 100 0 - 7.9-8.7 HG3 ARG 30 - HA GLU 37 far 0 44 0 - 8.5-10.4 HG LEU 57 - HA LEU 14 far 0 91 0 - 9.1-10.3 HG LEU 6 - HA GLU 37 far 0 45 0 - 9.3-9.7 HB2 LEU 14 - HA GLU 88 far 0 55 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 586 from cnoeabs.peaks (1.90, 3.68, 59.00 ppm; 3.59 A): 1 out of 18 assignments used, quality = 1.00: * HB3 LEU 14 + HA LEU 14 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LYS 13 - HA LEU 14 far 0 98 0 - 4.0-4.4 HB2 GLU 17 - HA LEU 14 far 0 59 0 - 4.2-5.1 HB2 LYS 13 - HA LEU 14 far 0 97 0 - 4.3-4.7 HB3 LYS 39 - HA GLU 37 far 0 20 0 - 5.5-6.9 HB2 LYS 33 - HA GLU 37 far 0 40 0 - 7.0-7.4 HB VAL 32 - HA GLU 37 far 0 22 0 - 7.0-7.3 HB2 LYS 12 - HA LEU 14 far 0 61 0 - 7.6-7.8 HG LEU 42 - HA GLU 37 far 0 44 0 - 7.7-8.1 HB3 LYS 12 - HA LEU 14 far 0 65 0 - 7.8-8.2 HB3 ARG 19 - HA LEU 14 far 0 82 0 - 8.0-8.8 HB2 LYS 94 - HA GLU 88 far 0 46 0 - 8.1-10.3 HB2 GLU 17 - HA GLU 88 far 0 26 0 - 8.2-8.9 HB3 LYS 20 - HA LEU 14 far 0 73 0 - 8.5-11.0 HB3 LYS 33 - HA GLU 37 far 0 42 0 - 8.6-9.0 HB2 GLU 43 - HA GLU 37 far 0 45 0 - 9.5-10.0 HB2 ARG 19 - HA LEU 14 far 0 99 0 - 9.7-10.3 HB2 LYS 20 - HA LEU 14 far 0 98 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 587 from cnoeabs.peaks (1.35, 3.68, 59.00 ppm; 3.56 A): 1 out of 12 assignments used, quality = 1.00: * HG LEU 14 + HA LEU 14 OK 100 100 100 100 2.6-2.8 611=90, 2.1/619=69...(23) HG3 LYS 40 - HA GLU 37 poor 17 43 40 - 2.8-4.4 QB ALA 89 - HA LEU 14 far 0 99 0 - 4.5-4.9 QB ALA 89 - HA GLU 88 far 0 52 0 - 5.0-5.0 HG2 LYS 94 - HA GLU 88 far 0 52 0 - 7.2-9.8 HG3 LYS 94 - HA GLU 88 far 0 35 0 - 7.2-11.1 HG2 LYS 39 - HA GLU 37 far 0 45 0 - 7.6-8.2 HG LEU 14 - HA GLU 88 far 0 55 0 - 8.2-8.8 HB3 ARG 30 - HA GLU 37 far 0 36 0 - 8.9-9.3 HG12 ILE 8 - HA GLU 37 far 0 42 0 - 9.0-10.0 QB ALA 67 - HA GLU 37 far 0 42 0 - 9.4-10.1 HB2 LEU 70 - HA GLU 37 far 0 38 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 588 from cnoeabs.peaks (0.68, 3.68, 59.00 ppm; 3.58 A): 2 out of 11 assignments used, quality = 1.00: * QD1 LEU 14 + HA LEU 14 OK 100 100 100 100 3.1-3.4 619=100, 2.1/587=68...(27) QD2 LEU 14 + HA LEU 14 OK 75 75 100 100 3.6-3.8 4.0=72, 2.1/619=71...(24) QD2 LEU 6 - HA GLU 37 far 0 43 0 - 6.0-6.4 QD1 LEU 14 - HA GLU 88 far 0 55 0 - 6.3-6.8 QD1 LEU 42 - HA GLU 37 far 0 43 0 - 7.2-7.4 QD1 ILE 8 - HA GLU 37 far 0 27 0 - 7.5-8.0 QD1 LEU 29 - HA LEU 14 far 0 87 0 - 7.7-8.4 QD2 LEU 29 - HA LEU 14 far 0 68 0 - 8.1-9.0 QD2 LEU 14 - HA GLU 88 far 0 35 0 - 8.1-8.7 QD1 ILE 56 - HA GLU 37 far 0 29 0 - 9.1-9.6 QD1 LEU 29 - HA GLU 88 far 0 42 0 - 9.9-10.4 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 13 assignments used, quality = 1.00: * QD2 LEU 14 + HA LEU 14 OK 100 100 100 100 3.6-3.8 4.0=69, 2.1/619=69...(25) QD1 LEU 14 + HA LEU 14 OK 75 75 100 100 3.1-3.4 4.0=69, 2.1/587=66...(26) QD2 LEU 6 - HA GLU 37 far 0 36 0 - 6.0-6.4 QD1 LEU 14 - HA GLU 88 far 0 35 0 - 6.3-6.8 QD1 LEU 42 - HA GLU 37 far 0 37 0 - 7.2-7.4 HG3 ARG 81 - HA GLU 88 far 0 35 0 - 7.4-9.5 QD1 ILE 8 - HA GLU 37 far 0 45 0 - 7.5-8.0 HG13 ILE 93 - HA GLU 88 far 0 31 0 - 7.7-8.5 QD2 LEU 14 - HA GLU 88 far 0 55 0 - 8.1-8.7 QG1 VAL 5 - HA GLU 88 far 0 48 0 - 9.0-9.7 QG1 VAL 5 - HA LEU 14 far 0 94 0 - 9.1-10.0 QD1 ILE 56 - HA GLU 37 far 0 45 0 - 9.1-9.6 HG13 ILE 93 - HA LEU 14 far 0 68 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 590 from cnoeabs.peaks (8.07, 3.68, 59.00 ppm; 3.93 A): 2 out of 6 assignments used, quality = 1.00: * H ILE 15 + HA LEU 14 OK 100 100 100 100 3.5-3.5 3.6=100 H GLU 17 + HA LEU 14 OK 95 99 100 96 3.7-3.9 6245=50, 6256/593=43...(10) H LYS 39 - HA GLU 37 far 0 43 0 - 4.4-4.6 H LYS 90 - HA GLU 88 far 0 38 0 - 4.5-4.7 H LYS 13 - HA LEU 14 far 0 100 0 - 5.3-5.4 H LYS 90 - HA LEU 14 far 0 81 0 - 6.6-7.1 Violated in 0 structures by 0.00 A. Peak 591 from cnoeabs.peaks (8.06, 3.68, 59.00 ppm; 4.09 A): 2 out of 6 assignments used, quality = 1.00: H ILE 15 + HA LEU 14 OK 99 99 100 100 3.5-3.5 3.6=100 * H GLU 17 + HA LEU 14 OK 98 100 100 98 3.7-3.9 6245=51, 6256/593=48...(10) H LYS 39 - HA GLU 37 far 4 37 10 - 4.4-4.6 H LYS 90 - HA GLU 88 far 0 48 0 - 4.5-4.7 H LYS 13 - HA LEU 14 far 0 98 0 - 5.3-5.4 H LYS 90 - HA LEU 14 far 0 95 0 - 6.6-7.1 Violated in 0 structures by 0.00 A. Peak 592 from cnoeabs.peaks (1.94, 3.68, 59.00 ppm; 3.45 A): 2 out of 15 assignments used, quality = 0.69: HB3 LEU 14 + HA LEU 14 OK 59 59 100 100 3.0-3.0 3.0=100 HB2 GLU 37 + HA GLU 37 OK 24 24 100 100 3.0-3.0 3.0=100 HG3 GLU 88 - HA GLU 88 poor 19 55 35 - 3.4-3.9 HB3 LYS 13 - HA LEU 14 far 0 82 0 - 4.0-4.4 ! HB2 GLU 17 - HA LEU 14 far 0 100 0 - 4.2-5.1 HB2 LYS 13 - HA LEU 14 far 0 85 0 - 4.3-4.7 HB2 LYS 33 - HA GLU 37 far 0 34 0 - 7.0-7.4 HB VAL 32 - HA GLU 37 far 0 45 0 - 7.0-7.3 HB3 ARG 19 - HA LEU 14 far 0 98 0 - 8.0-8.8 HG3 GLU 88 - HA LEU 14 far 0 100 0 - 8.0-9.8 HB2 LYS 94 - HA GLU 88 far 0 47 0 - 8.1-10.3 HB2 GLU 17 - HA GLU 88 far 0 55 0 - 8.2-8.9 HB3 LYS 20 - HA LEU 14 far 0 100 0 - 8.5-11.0 HB3 LYS 33 - HA GLU 37 far 0 32 0 - 8.6-9.0 HB2 GLU 43 - HA GLU 37 far 0 24 0 - 9.5-10.0 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 9 assignments used, quality = 0.97: * HB3 GLU 17 + HA LEU 14 OK 95 100 100 95 2.6-3.5 743=42, 748/8477=38...(10) 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 - 7.4-7.8 HB2 GLU 35 - HA GLU 37 far 0 45 0 - 7.6-7.8 HB3 LYS 94 - HA GLU 88 far 0 49 0 - 8.3-9.6 HB3 GLU 17 - HA GLU 88 far 0 55 0 - 8.7-9.2 HB2 GLU 44 - HA GLU 37 far 0 44 0 - 9.1-9.7 HG12 ILE 93 - HA GLU 88 far 0 35 0 - 9.4-9.9 HB3 GLU 44 - HA GLU 37 far 0 44 0 - 9.5-10.2 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 2.6-2.8 6198=100, 602/1.8=71...(19) H GLU 88 - HB2 LEU 14 far 0 93 0 - 7.1-7.7 H LEU 14 - HB ILE 7 far 0 91 0 - 9.0-9.6 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 2.3-2.4 3.0=100 HA LEU 14 - HB ILE 7 far 0 91 0 - 7.9-8.7 HA LYS 90 - HB ILE 7 far 0 86 0 - 8.5-8.9 HA GLU 88 - HB2 LEU 14 far 0 88 0 - 9.6-10.2 HA LYS 90 - HB2 LEU 14 far 0 98 0 - 9.7-10.5 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 far 0 97 0 - 4.1-4.6 HB3 LYS 13 - HB2 LEU 14 far 0 98 0 - 4.5-5.0 HB2 GLU 17 - HB2 LEU 14 far 0 59 0 - 6.3-7.4 HB ILE 8 - HB ILE 7 far 0 90 0 - 6.6-7.0 HB VAL 32 - HB ILE 7 far 0 50 0 - 6.8-7.2 HB3 ARG 19 - HB ILE 7 far 0 69 0 - 7.0-7.9 HB3 LEU 14 - HB ILE 7 far 0 91 0 - 7.4-8.2 HB2 ARG 19 - HB ILE 7 far 0 88 0 - 7.4-8.3 HB3 LYS 12 - HB2 LEU 14 far 0 65 0 - 7.9-8.3 HB2 LYS 12 - HB2 LEU 14 far 0 61 0 - 8.1-8.5 HB2 GLU 17 - HB ILE 7 far 0 49 0 - 8.7-9.5 HB3 ARG 19 - HB2 LEU 14 far 0 82 0 - 9.9-10.7 HB3 LYS 20 - HB ILE 7 far 0 61 0 - 9.9-12.0 HB ILE 8 - HB2 LEU 14 far 0 100 0 - 9.9-10.7 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 2.7-2.8 3.0=100 QB ALA 89 - HB ILE 7 far 0 88 0 - 4.6-5.0 QB ALA 89 - HB2 LEU 14 far 0 99 0 - 5.2-5.6 HG12 ILE 8 - HB ILE 7 far 0 86 0 - 5.9-6.2 HG LEU 14 - HB ILE 7 far 0 91 0 - 6.1-7.0 HB3 ARG 30 - HB ILE 7 far 0 78 0 - 7.1-7.4 QB ALA 67 - HB ILE 7 far 0 86 0 - 8.9-9.1 QB ALA 25 - HB ILE 7 far 0 88 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 599 from cnoeabs.peaks (0.68, 1.52, 41.23 ppm; 3.29 A): 3 out of 15 assignments used, quality = 1.00: * QD1 LEU 14 + HB2 LEU 14 OK 100 100 100 100 1.9-2.1 3.1=100 QD2 LEU 14 + HB2 LEU 14 OK 75 75 100 100 2.9-3.1 3.1=100 QD1 LEU 29 + HB ILE 7 OK 56 74 100 76 2.8-3.4 10141=28, ~10501=26...(8) QD2 LEU 29 - HB ILE 7 poor 11 56 20 - 3.4-4.4 QD2 LEU 14 - HB ILE 7 far 0 63 0 - 4.5-4.9 QD2 LEU 6 - HB ILE 7 far 0 89 0 - 5.6-5.8 QD1 LEU 14 - HB ILE 7 far 0 91 0 - 6.5-7.1 QD1 ILE 8 - HB ILE 7 far 0 61 0 - 6.7-7.0 HG13 ILE 56 - HB ILE 7 far 0 52 0 - 8.3-8.5 QG2 VAL 58 - HB ILE 7 far 0 91 0 - 8.5-8.9 QD1 ILE 56 - HB ILE 7 far 0 64 0 - 8.7-8.9 QD1 LEU 29 - HB2 LEU 14 far 0 87 0 - 8.9-9.6 QD2 LEU 29 - HB2 LEU 14 far 0 68 0 - 9.2-10.0 QG2 VAL 54 - HB ILE 7 far 0 75 0 - 9.4-10.2 QG2 VAL 58 - HB2 LEU 14 far 0 100 0 - 9.7-10.2 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 16 assignments used, quality = 1.00: * QD2 LEU 14 + HB2 LEU 14 OK 100 100 100 100 2.9-3.1 3.1=100 QD1 LEU 14 + HB2 LEU 14 OK 75 75 100 100 1.9-2.1 3.1=100 QG1 VAL 5 + HB ILE 7 OK 23 81 55 51 3.4-3.7 10196=21, 8178/8253=11...(7) QD2 LEU 14 - HB ILE 7 far 0 91 0 - 4.5-4.9 QD2 LEU 6 - HB ILE 7 far 0 77 0 - 5.6-5.8 HG13 ILE 93 - HB ILE 7 far 0 56 0 - 6.1-6.6 QD1 LEU 14 - HB ILE 7 far 0 63 0 - 6.5-7.1 QD1 ILE 8 - HB ILE 7 far 0 91 0 - 6.7-7.0 QG1 VAL 58 - HB ILE 7 far 0 87 0 - 7.0-7.3 HG13 ILE 56 - HB ILE 7 far 0 90 0 - 8.3-8.5 QG2 VAL 58 - HB ILE 7 far 0 59 0 - 8.5-8.9 QD1 ILE 56 - HB ILE 7 far 0 91 0 - 8.7-8.9 HG3 ARG 81 - HB ILE 7 far 0 63 0 - 9.5-11.9 QG2 VAL 58 - HB2 LEU 14 far 0 71 0 - 9.7-10.2 QG1 VAL 5 - HB2 LEU 14 far 0 94 0 - 9.8-10.5 QD1 LEU 64 - HB ILE 7 far 0 59 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 601 from cnoeabs.peaks (8.07, 1.52, 41.23 ppm; 4.27 A increased from 4.02 A): 1 out of 7 assignments used, quality = 1.00: * H ILE 15 + HB2 LEU 14 OK 100 100 100 100 4.0-4.1 6211=100, 6212/1.8=97...(15) H LYS 13 - HB2 LEU 14 far 0 100 0 - 5.2-5.5 H GLU 17 - HB2 LEU 14 far 0 99 0 - 6.0-6.2 H ILE 15 - HB ILE 7 far 0 91 0 - 7.1-7.5 H LYS 90 - HB2 LEU 14 far 0 81 0 - 7.7-8.4 H GLU 17 - HB ILE 7 far 0 88 0 - 8.2-8.5 H LYS 90 - HB ILE 7 far 0 68 0 - 8.5-8.9 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 2.3-2.4 3.8=87, 6198/1.8=82...(21) H GLU 88 - HB3 LEU 14 far 0 93 0 - 8.4-9.0 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 1 assignment used, quality = 1.00: * HA LEU 14 + HB3 LEU 14 OK 100 100 100 100 3.0-3.0 3.0=100 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 - 6.4-7.1 HB ILE 7 - HB3 LEU 14 far 0 100 0 - 7.4-8.2 HG LEU 57 - HB3 LEU 14 far 0 91 0 - 9.4-10.2 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 2.9-2.9 3.0=100 QB ALA 89 - HB3 LEU 14 far 0 99 0 - 5.5-5.9 HG12 ILE 8 - HB3 LEU 14 far 0 98 0 - 10.0-10.8 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 2.8-2.9 3.1=100 QD2 LEU 14 + HB3 LEU 14 OK 75 75 100 100 1.9-2.1 3.1=100 QD1 LEU 29 - HB3 LEU 14 far 0 87 0 - 8.2-8.8 QD2 LEU 29 - HB3 LEU 14 far 0 68 0 - 8.2-9.1 QG2 VAL 58 - HB3 LEU 14 far 0 100 0 - 9.5-10.1 QD1 ILE 8 - HB3 LEU 14 far 0 73 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 608 from cnoeabs.peaks (0.71, 1.90, 41.23 ppm; 3.48 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 14 + HB3 LEU 14 OK 100 100 100 100 1.9-2.1 3.1=100 QD1 LEU 14 + HB3 LEU 14 OK 75 75 100 100 2.8-2.9 3.1=100 QG1 VAL 5 - HB3 LEU 14 far 0 94 0 - 9.3-10.1 QG1 VAL 58 - HB3 LEU 14 far 0 98 0 - 9.4-10.0 QG2 VAL 58 - HB3 LEU 14 far 0 71 0 - 9.5-10.1 QD1 ILE 8 - HB3 LEU 14 far 0 100 0 - 9.7-10.3 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 2.6-2.9 6212=100, 6211/1.8=68...(21) H LYS 13 - HB3 LEU 14 far 0 100 0 - 4.7-5.0 H GLU 17 - HB3 LEU 14 far 0 99 0 - 5.9-6.0 H LYS 90 - HB3 LEU 14 far 0 81 0 - 8.5-9.2 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 4.4-4.5 6200=100, 6198/3.0=86...(15) H GLU 88 - HG LEU 14 far 0 93 0 - 6.0-6.7 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 2.6-2.8 587=100, 619/2.1=74...(23) HA LYS 90 - HG LEU 14 far 0 98 0 - 7.6-8.3 HA GLU 88 - HG LEU 14 far 0 88 0 - 8.2-8.8 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 4 assignments used, quality = 1.00: * HB2 LEU 14 + HG LEU 14 OK 100 100 100 100 2.7-2.8 3.0=100 HB ILE 7 - HG LEU 14 far 0 100 0 - 6.1-7.0 HG LEU 57 - HG LEU 14 far 0 91 0 - 6.7-7.8 HG3 LYS 13 - HG LEU 14 far 0 85 0 - 8.6-8.9 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 9 assignments used, quality = 1.00: * HB3 LEU 14 + HG LEU 14 OK 100 100 100 100 2.9-2.9 3.0=100 HB2 GLU 17 - HG LEU 14 far 0 59 0 - 5.1-6.2 HB2 LYS 13 - HG LEU 14 far 0 97 0 - 6.4-6.8 HB3 LYS 13 - HG LEU 14 far 0 98 0 - 6.4-6.9 HB3 ARG 19 - HG LEU 14 far 0 82 0 - 8.5-9.4 HB ILE 8 - HG LEU 14 far 0 100 0 - 8.8-9.2 HB2 LYS 12 - HG LEU 14 far 0 61 0 - 9.1-9.4 HB3 LYS 12 - HG LEU 14 far 0 65 0 - 9.3-9.7 HB3 LYS 20 - HG LEU 14 far 0 73 0 - 9.5-12.1 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 - 6.8-7.5 QD2 LEU 29 - HG LEU 14 far 0 68 0 - 7.4-8.4 QG2 VAL 58 - HG LEU 14 far 0 100 0 - 8.8-9.3 QD1 ILE 8 - HG LEU 14 far 0 73 0 - 9.5-10.0 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 8 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 - 7.6-8.3 HG13 ILE 93 - HG LEU 14 far 0 68 0 - 8.1-8.8 QG2 VAL 58 - HG LEU 14 far 0 71 0 - 8.8-9.3 QG1 VAL 58 - HG LEU 14 far 0 98 0 - 8.9-9.4 QD1 ILE 8 - HG LEU 14 far 0 100 0 - 9.5-10.0 HG3 ARG 81 - HG LEU 14 far 0 75 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 617 from cnoeabs.peaks (8.07, 1.35, 28.11 ppm; 4.74 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 15 + HG LEU 14 OK 100 100 100 100 4.1-4.3 6213=100, 6215/2.1=95...(15) H GLU 17 - HG LEU 14 far 0 99 0 - 5.2-5.6 H LYS 90 - HG LEU 14 far 0 81 0 - 5.7-6.5 H LYS 13 - HG LEU 14 far 0 100 0 - 7.1-7.2 Violated in 0 structures by 0.00 A. Peak 618 from cnoeabs.peaks (7.55, 0.68, 25.64 ppm; 4.36 A increased from 4.10 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 14 + QD1 LEU 14 OK 100 100 100 100 4.2-4.3 3.0/619=79, 626/2.1=78...(19) H GLU 88 - QD1 LEU 14 far 9 93 10 - 4.5-4.9 H ILE 76 - QD1 LEU 42 far 0 95 0 - 5.4-5.9 H LEU 38 - QD1 LEU 42 far 0 84 0 - 5.6-5.9 Violated in 0 structures by 0.00 A. Peak 619 from cnoeabs.peaks (3.68, 0.68, 25.64 ppm; 3.47 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 14 + QD1 LEU 14 OK 100 100 100 100 3.1-3.4 4.0=65, 587/2.1=64...(28) HA LEU 42 - QD1 LEU 42 far 0 83 0 - 3.8-3.9 HA GLU 88 - QD1 LEU 14 far 0 88 0 - 6.3-6.8 HA GLU 37 - QD1 LEU 42 far 0 77 0 - 7.2-7.4 HA LYS 90 - QD1 LEU 14 far 0 98 0 - 7.3-8.0 HB THR 80 - QD1 LEU 42 far 0 96 0 - 8.3-9.0 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 14 assignments used, quality = 1.00: * HB2 LEU 14 + QD1 LEU 14 OK 100 100 100 100 1.9-2.1 3.1=100 HG12 ILE 56 - QD1 LEU 42 far 0 95 0 - 5.2-5.8 HG2 LYS 73 - QD1 LEU 42 far 0 71 0 - 5.7-6.8 HG LEU 57 - QD1 LEU 14 far 0 91 0 - 6.1-6.9 HB ILE 7 - QD1 LEU 14 far 0 100 0 - 6.5-7.1 HG LEU 6 - QD1 LEU 42 far 0 96 0 - 6.5-6.9 HG3 LYS 13 - QD1 LEU 14 far 0 85 0 - 7.4-7.9 HG3 LYS 66 - QD1 LEU 42 far 0 72 0 - 8.5-9.4 HG2 LYS 66 - QD1 LEU 42 far 0 69 0 - 8.8-9.6 HG3 ARG 30 - QD1 LEU 42 far 0 95 0 - 8.9-10.6 HB2 ARG 91 - QD1 LEU 14 far 0 65 0 - 8.9-9.7 HG2 LYS 47 - QD1 LEU 42 far 0 69 0 - 9.1-10.6 HG3 ARG 79 - QD1 LEU 42 far 0 92 0 - 9.2-11.4 HB3 LEU 64 - QD1 LEU 14 far 0 73 0 - 9.6-10.1 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 17 assignments used, quality = 1.00: * HB3 LEU 14 + QD1 LEU 14 OK 100 100 100 100 2.8-2.9 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 0 52 0 - 3.6-4.9 HB VAL 54 - QD1 LEU 42 far 0 89 0 - 5.2-5.8 HB2 LYS 13 - QD1 LEU 14 far 0 97 0 - 5.3-5.9 HB2 GLU 17 - QD1 LEU 14 far 0 59 0 - 5.3-6.7 HB3 LYS 13 - QD1 LEU 14 far 0 98 0 - 5.6-6.1 HB ILE 8 - QD1 LEU 14 far 0 100 0 - 7.1-7.6 HB2 GLU 43 - QD1 LEU 42 far 0 96 0 - 7.1-7.3 HB3 LYS 68 - QD1 LEU 42 far 0 69 0 - 7.3-7.7 HB VAL 32 - QD1 LEU 42 far 0 56 0 - 7.5-7.8 HB3 LYS 12 - QD1 LEU 14 far 0 65 0 - 8.6-8.9 HB2 LYS 12 - QD1 LEU 14 far 0 61 0 - 8.8-8.9 HB3 ARG 19 - QD1 LEU 14 far 0 82 0 - 9.1-9.8 HB ILE 8 - QD1 LEU 42 far 0 95 0 - 9.2-9.8 HB3 LYS 20 - QD1 LEU 14 far 0 73 0 - 9.7-12.0 HB VAL 32 - QD1 LEU 14 far 0 61 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 622 from cnoeabs.peaks (1.35, 0.68, 25.64 ppm; 2.77 A): 1 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 HB2 LEU 70 - QD1 LEU 42 far 13 87 15 - 2.8-3.7 QB ALA 89 - QD1 LEU 14 far 5 99 5 - 2.8-3.5 HG2 LYS 39 - QD1 LEU 42 far 0 96 0 - 3.3-3.7 QB ALA 67 - QD1 LEU 42 far 0 92 0 - 4.5-5.1 HG3 LYS 40 - QD1 LEU 42 far 0 95 0 - 6.8-7.6 HG3 LYS 68 - QD1 LEU 42 far 0 97 0 - 7.7-8.2 HG12 ILE 8 - QD1 LEU 42 far 0 92 0 - 7.8-8.3 HB3 ARG 30 - QD1 LEU 42 far 0 84 0 - 8.5-8.8 HG12 ILE 8 - QD1 LEU 14 far 0 98 0 - 8.5-8.9 HB2 LYS 82 - QD1 LEU 14 far 0 100 0 - 8.9-9.2 QB ALA 67 - QD1 LEU 14 far 0 98 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 623 from cnoeabs.peaks (0.68, 0.68, 25.64 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 14 + QD1 LEU 14 OK 100 100 - 100 QD1 LEU 42 + QD1 LEU 42 OK 94 94 - 100 Peak 624 from cnoeabs.peaks (0.71, 0.68, 25.64 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: QD1 LEU 42 + QD1 LEU 42 OK 86 86 - 100 QD1 LEU 14 + QD1 LEU 14 OK 75 75 - 100 Reference assignment not found: QD2 LEU 14 - QD1 LEU 14 Peak 625 from cnoeabs.peaks (8.07, 0.68, 25.64 ppm; 4.33 A increased from 4.08 A): 1 out of 6 assignments used, quality = 0.94: H LYS 39 + QD1 LEU 42 OK 94 95 100 100 3.9-4.1 3.0/8953=60, 8947=58...(17) ! H ILE 15 - QD1 LEU 14 far 0 100 0 - 4.8-5.0 H LYS 90 - QD1 LEU 14 far 0 81 0 - 5.3-5.9 H GLU 17 - QD1 LEU 14 far 0 99 0 - 6.1-6.4 H GLU 75 - QD1 LEU 42 far 0 96 0 - 6.1-6.6 H LYS 13 - QD1 LEU 14 far 0 100 0 - 6.4-6.6 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 3.8-4.1 6198/3.1=73, 602/3.1=67...(21) H LEU 38 - QD2 LEU 6 far 0 60 0 - 5.3-5.7 H GLU 88 - QD2 LEU 14 far 0 93 0 - 6.6-7.1 Violated in 0 structures by 0.00 A. Peak 627 from cnoeabs.peaks (3.68, 0.71, 24.35 ppm; 4.04 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 14 + QD2 LEU 14 OK 100 100 100 100 3.6-3.8 4.0=100 HA LEU 42 - QD2 LEU 6 far 0 59 0 - 5.6-5.9 HA GLU 37 - QD2 LEU 6 far 0 54 0 - 6.0-6.4 HA LYS 90 - QD2 LEU 14 far 0 98 0 - 7.7-8.6 HA GLU 88 - QD2 LEU 14 far 0 88 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 628 from cnoeabs.peaks (1.52, 0.71, 24.35 ppm; 3.13 A): 2 out of 15 assignments used, quality = 1.00: * HB2 LEU 14 + QD2 LEU 14 OK 100 100 100 100 2.9-3.1 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 poor 14 71 20 - 3.1-4.1 HB ILE 7 - QD2 LEU 14 far 0 100 0 - 4.5-4.9 HB ILE 7 - QD2 LEU 6 far 0 72 0 - 5.6-5.8 HG12 ILE 56 - QD2 LEU 6 far 0 70 0 - 5.7-6.2 HG LEU 57 - QD2 LEU 14 far 0 91 0 - 5.8-6.4 HG3 LYS 33 - QD2 LEU 6 far 0 63 0 - 7.1-7.3 HG2 LYS 33 - QD2 LEU 6 far 0 54 0 - 7.3-7.6 HG3 LYS 13 - QD2 LEU 14 far 0 85 0 - 7.5-8.0 HG LEU 57 - QD2 LEU 6 far 0 60 0 - 8.3-8.5 HG3 LYS 33 - QD2 LEU 14 far 0 94 0 - 8.4-8.7 HG3 ARG 79 - QD2 LEU 6 far 0 67 0 - 9.1-12.3 HB3 LEU 64 - QD2 LEU 14 far 0 73 0 - 9.4-9.9 HG2 LYS 33 - QD2 LEU 14 far 0 84 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 629 from cnoeabs.peaks (1.90, 0.71, 24.35 ppm; 3.28 A): 1 out of 22 assignments used, quality = 1.00: * HB3 LEU 14 + QD2 LEU 14 OK 100 100 100 100 1.9-2.1 3.1=100 HB VAL 32 - QD2 LEU 6 far 0 37 0 - 3.9-4.2 HG LEU 42 - QD2 LEU 6 far 0 71 0 - 5.0-5.3 HB ILE 8 - QD2 LEU 14 far 0 100 0 - 5.5-6.0 HB2 LYS 13 - QD2 LEU 14 far 0 97 0 - 5.8-6.2 HB VAL 54 - QD2 LEU 6 far 0 64 0 - 6.1-6.7 HB2 GLU 17 - QD2 LEU 14 far 0 59 0 - 6.2-6.9 HB3 LYS 13 - QD2 LEU 14 far 0 98 0 - 6.4-6.8 HB ILE 8 - QD2 LEU 6 far 0 71 0 - 6.9-7.3 HB2 LYS 12 - QD2 LEU 14 far 0 61 0 - 7.3-7.8 HB3 LYS 12 - QD2 LEU 14 far 0 65 0 - 7.3-7.8 HB3 ARG 19 - QD2 LEU 14 far 0 82 0 - 7.6-8.2 HB VAL 32 - QD2 LEU 14 far 0 61 0 - 7.7-8.2 HB3 LYS 39 - QD2 LEU 6 far 0 34 0 - 8.2-8.5 HB2 LYS 33 - QD2 LEU 6 far 0 66 0 - 8.3-8.6 HB2 ARG 19 - QD2 LEU 14 far 0 99 0 - 8.7-9.1 HB3 LYS 33 - QD2 LEU 6 far 0 67 0 - 8.9-9.1 HB2 ARG 19 - QD2 LEU 6 far 0 69 0 - 8.9-9.9 HB3 LYS 20 - QD2 LEU 14 far 0 73 0 - 9.1-11.2 HB3 LYS 33 - QD2 LEU 14 far 0 98 0 - 9.2-9.6 HB3 ARG 19 - QD2 LEU 6 far 0 53 0 - 9.4-10.3 HB2 GLU 43 - QD2 LEU 6 far 0 72 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 630 from cnoeabs.peaks (1.35, 0.71, 24.35 ppm; 2.79 A): 2 out of 14 assignments used, quality = 1.00: * HG LEU 14 + QD2 LEU 14 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 ARG 30 + QD2 LEU 6 OK 51 60 100 86 1.9-2.0 1.8/8717=30, 8718=20...(16) QB ALA 89 - QD2 LEU 14 far 0 99 0 - 3.3-4.0 HG12 ILE 8 - QD2 LEU 6 far 0 67 0 - 4.7-5.1 HG3 LYS 40 - QD2 LEU 6 far 0 70 0 - 5.2-6.4 QB ALA 67 - QD2 LEU 6 far 0 67 0 - 6.2-6.6 HG12 ILE 8 - QD2 LEU 14 far 0 98 0 - 6.5-7.0 HB2 LEU 70 - QD2 LEU 6 far 0 62 0 - 8.3-9.1 QB ALA 89 - QD2 LEU 6 far 0 69 0 - 8.5-8.8 HB3 LEU 27 - QD2 LEU 6 far 0 71 0 - 8.6-9.1 QB ALA 67 - QD2 LEU 14 far 0 98 0 - 8.6-8.9 HG2 LYS 39 - QD2 LEU 6 far 0 72 0 - 8.8-9.3 HB2 LYS 82 - QD2 LEU 14 far 0 100 0 - 9.3-9.6 QB ALA 25 - QD2 LEU 6 far 0 69 0 - 9.8-10.4 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 5 assignments used, quality = 1.00: * H ILE 15 + QD2 LEU 14 OK 100 100 100 100 3.1-3.5 6215=100, 6255/3.1=66...(18) H GLU 17 - QD2 LEU 14 far 0 99 0 - 5.5-6.0 H LYS 13 - QD2 LEU 14 far 0 100 0 - 5.7-6.2 H LYS 90 - QD2 LEU 14 far 0 81 0 - 6.3-7.2 H LYS 39 - QD2 LEU 6 far 0 70 0 - 6.4-6.7 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 0 99 0 - 4.6-4.8 H LYS 13 - HA ILE 15 far 0 100 0 - 6.7-6.8 H LYS 90 - HA ILE 15 far 0 81 0 - 7.8-8.6 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): 2 out of 11 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 2.7-2.9 1.8/639=84, 4.1=70...(29) HG3 ARG 19 - HA ILE 15 far 0 75 0 - 4.1-4.8 HD3 LYS 12 - HA ILE 15 far 0 79 0 - 6.0-8.8 HD2 LYS 12 - HA ILE 15 far 0 79 0 - 6.8-8.5 HD3 LYS 90 - HA ILE 15 far 0 71 0 - 7.6-10.7 HG2 PRO 86 - HA ILE 15 far 0 63 0 - 8.3-9.3 HD3 LYS 13 - HA ILE 15 far 0 82 0 - 8.5-10.8 HD2 LYS 13 - HA ILE 15 far 0 79 0 - 8.6-10.9 HD2 LYS 90 - HA ILE 15 far 0 99 0 - 9.1-10.5 HD3 LYS 33 - HA ILE 15 far 0 100 0 - 9.6-11.4 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 7 assignments used, quality = 1.00: * QG2 ILE 15 + HA ILE 15 OK 100 100 100 100 2.3-2.5 3.2=88, 680/678=40...(34) QG2 ILE 7 + HA ILE 15 OK 87 99 100 88 2.7-3.2 3.0/8261=35, 8283/643=32...(13) QD2 LEU 57 - HA ILE 15 far 0 97 0 - 7.5-9.0 QD1 LEU 57 - HA ILE 15 far 0 94 0 - 7.6-8.2 QG2 ILE 8 - HA ILE 15 far 0 88 0 - 7.8-8.2 QG2 VAL 32 - HA ILE 15 far 0 90 0 - 8.6-9.0 QD2 LEU 38 - HA ILE 15 far 0 98 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 638 from cnoeabs.peaks (1.69, 3.26, 65.94 ppm; 3.64 A): 2 out of 12 assignments used, quality = 1.00: * HG12 ILE 15 + HA ILE 15 OK 100 100 100 100 2.7-2.9 1.8/639=85, 4.1=72...(29) 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 - 6.0-8.8 HD2 LYS 12 - HA ILE 15 far 0 100 0 - 6.8-8.5 HD2 LYS 20 - HA ILE 15 far 0 96 0 - 7.4-8.9 HG3 LYS 20 - HA ILE 15 far 0 93 0 - 7.5-9.9 HD3 LYS 20 - HA ILE 15 far 0 93 0 - 7.5-10.1 HD3 LYS 90 - HA ILE 15 far 0 100 0 - 7.6-10.7 HG2 PRO 86 - HA ILE 15 far 0 100 0 - 8.3-9.3 HD3 LYS 13 - HA ILE 15 far 0 99 0 - 8.5-10.8 HD2 LYS 13 - HA ILE 15 far 0 100 0 - 8.6-10.9 HD3 LYS 33 - HA ILE 15 far 0 75 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 639 from cnoeabs.peaks (0.75, 3.26, 65.94 ppm; 3.16 A): 1 out of 8 assignments used, quality = 1.00: * HG13 ILE 15 + HA ILE 15 OK 100 100 100 100 2.4-2.8 670=56, 672/3.2=46...(37) QD1 ILE 15 - HA ILE 15 far 0 100 0 - 3.8-3.9 QD1 ILE 93 - HA ILE 15 far 0 96 0 - 5.8-6.2 QG1 VAL 5 - HA ILE 15 far 0 81 0 - 6.8-7.3 QG2 ILE 8 - HA ILE 15 far 0 73 0 - 7.8-8.2 HG13 ILE 93 - HA ILE 15 far 0 99 0 - 8.4-9.1 QG2 ILE 93 - HA ILE 15 far 0 100 0 - 8.5-8.9 QG1 VAL 58 - HA ILE 15 far 0 70 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 640 from cnoeabs.peaks (0.76, 3.26, 65.94 ppm; 3.16 A): 2 out of 10 assignments used, quality = 1.00: HG13 ILE 15 + HA ILE 15 OK 100 100 100 100 2.4-2.8 670=56, 672/3.2=46...(37) QG2 ILE 7 + HA ILE 15 OK 49 59 100 82 2.7-3.2 3.0/8261=38...(13) ! QD1 ILE 15 - HA ILE 15 far 0 100 0 - 3.8-3.9 QD1 ILE 93 - HA ILE 15 far 0 99 0 - 5.8-6.2 QG1 VAL 5 - HA ILE 15 far 0 71 0 - 6.8-7.3 QD2 LEU 57 - HA ILE 15 far 0 65 0 - 7.5-9.0 QG2 ILE 8 - HA ILE 15 far 0 82 0 - 7.8-8.2 HG13 ILE 93 - HA ILE 15 far 0 96 0 - 8.4-9.1 QG2 ILE 93 - HA ILE 15 far 0 99 0 - 8.5-8.9 QG1 VAL 58 - HA ILE 15 far 0 59 0 - 9.3-9.7 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 - 7.8-8.6 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 3.5-3.8 6263=100, 2.9/643=80...(17) H ASP 11 - HA ILE 15 far 0 94 0 - 6.3-7.1 H ASN 10 - HA ILE 15 far 0 97 0 - 7.3-7.7 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 2.6-3.3 772=94, 8278/8459=45...(19) HB2 LEU 57 - HA ILE 15 far 0 73 0 - 7.5-7.8 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 2.2-2.7 8381/3.2=59...(12) 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 3 assignments used, quality = 1.00: * H ILE 15 + HB ILE 15 OK 100 100 100 100 2.4-2.5 6217=100, 6218/2.1=55...(18) H LYS 13 - HB ILE 15 far 0 100 0 - 4.8-5.1 H GLU 17 - HB ILE 15 far 0 99 0 - 5.0-5.3 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 0 99 0 - 4.2-4.7 QG2 ILE 8 - HB ILE 15 far 0 88 0 - 8.4-9.1 QG2 VAL 32 - HB ILE 15 far 0 90 0 - 9.5-9.9 QD2 LEU 57 - HB ILE 15 far 0 97 0 - 10.0-11.5 QD1 LEU 57 - HB ILE 15 far 0 94 0 - 10.0-10.7 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 2.6-3.0 2.9=100 QD1 ILE 15 + HB ILE 15 OK 100 100 100 100 2.1-2.3 3.2=84, 658/2.1=74...(27) QD1 ILE 93 - HB ILE 15 far 0 96 0 - 8.0-8.4 QG2 ILE 8 - HB ILE 15 far 0 73 0 - 8.4-9.1 QG1 VAL 5 - HB ILE 15 far 0 81 0 - 8.9-9.5 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 2.1-2.3 3.2=84, 680/2.1=74...(27) HG13 ILE 15 + HB ILE 15 OK 100 100 100 100 2.6-3.0 2.9=100 QG2 ILE 7 - HB ILE 15 far 0 59 0 - 4.2-4.7 QD1 ILE 93 - HB ILE 15 far 0 99 0 - 8.0-8.4 QG2 ILE 8 - HB ILE 15 far 0 82 0 - 8.4-9.1 QG1 VAL 5 - HB ILE 15 far 0 71 0 - 8.9-9.5 QD2 LEU 57 - HB ILE 15 far 0 65 0 - 10.0-11.5 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 1 assignment used, quality = 1.00: * H GLU 16 + HB ILE 15 OK 100 100 100 100 2.4-2.7 6231=100, 660/2.1=63...(13) Violated in 0 structures by 0.00 A. Peak 653 from cnoeabs.peaks (8.07, 0.81, 17.32 ppm; 3.99 A increased from 3.75 A): 1 out of 6 assignments used, quality = 0.99: * H ILE 15 + QG2 ILE 15 OK 99 100 100 99 3.7-3.8 4.0=99 H GLU 17 - QG2 ILE 15 far 0 99 0 - 5.0-5.1 H LYS 13 - QG2 ILE 15 far 0 100 0 - 6.0-6.3 H LYS 39 - QG2 ILE 8 far 0 68 0 - 7.8-8.7 H ILE 15 - QG2 ILE 8 far 0 70 0 - 8.5-8.9 H LYS 90 - QG2 ILE 15 far 0 81 0 - 8.6-9.3 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 2.3-2.5 3.2=100 HA ILE 15 - QG2 ILE 8 far 0 70 0 - 7.8-8.2 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 24 assignments used, quality = 1.00: * HB ILE 15 + QG2 ILE 15 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 15 + QG2 ILE 15 OK 65 65 100 100 2.1-3.1 3.2=75, 2.1/658=69...(25) HG3 ARG 19 + QG2 ILE 15 OK 52 75 90 77 2.4-3.3 3.0/8516=24, 3.0/8514=20...(9) HD3 LYS 12 - QG2 ILE 15 far 0 79 0 - 3.3-6.5 HD2 LYS 12 - QG2 ILE 15 far 0 79 0 - 4.2-5.6 HG12 ILE 15 - QG2 ILE 8 far 0 39 0 - 6.1-6.9 HD3 LYS 33 - QG2 ILE 8 far 0 70 0 - 6.2-7.2 HD3 LYS 33 - QG2 ILE 15 far 0 100 0 - 6.5-8.0 HD2 LYS 33 - QG2 ILE 15 far 0 100 0 - 7.0-8.2 HB2 LYS 66 - QG2 ILE 8 far 0 37 0 - 7.1-7.5 HD2 LYS 33 - QG2 ILE 8 far 0 70 0 - 7.1-8.1 HB ILE 56 - QG2 ILE 8 far 0 42 0 - 7.2-7.5 HD2 LYS 13 - QG2 ILE 15 far 0 79 0 - 7.7-9.9 HD3 LYS 13 - QG2 ILE 15 far 0 82 0 - 7.9-9.8 HB ILE 15 - QG2 ILE 8 far 0 70 0 - 8.4-9.1 HD3 LYS 90 - QG2 ILE 15 far 0 71 0 - 8.5-10.8 HG LEU 70 - QG2 ILE 8 far 0 46 0 - 8.9-10.0 HG2 PRO 86 - QG2 ILE 15 far 0 63 0 - 9.0-9.9 HD2 LYS 12 - QG2 ILE 8 far 0 48 0 - 9.0-12.2 HD3 LYS 66 - QG2 ILE 8 far 0 50 0 - 9.0-9.7 HB3 LYS 82 - QG2 ILE 8 far 0 40 0 - 9.1-9.9 HD3 LYS 12 - QG2 ILE 8 far 0 48 0 - 9.3-11.9 HB3 LEU 70 - QG2 ILE 8 far 0 65 0 - 9.6-10.4 HD2 LYS 90 - QG2 ILE 15 far 0 99 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 656 from cnoeabs.peaks (0.81, 0.81, 17.32 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 15 + QG2 ILE 15 OK 100 100 - 100 QG2 ILE 8 + QG2 ILE 8 OK 56 56 - 100 Peak 657 from cnoeabs.peaks (1.69, 0.81, 17.32 ppm; 3.18 A): 2 out of 22 assignments used, quality = 1.00: * HG12 ILE 15 + QG2 ILE 15 OK 100 100 100 100 2.1-3.1 3.2=99, 2.1/680=79...(24) 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 20 100 25 79 3.3-6.5 10396/680=24...(16) HD2 LYS 12 - QG2 ILE 15 far 0 100 0 - 4.2-5.6 HD3 LYS 20 - QG2 ILE 15 far 0 93 0 - 5.7-8.3 HG3 LYS 20 - QG2 ILE 15 far 0 93 0 - 5.8-8.3 HG12 ILE 15 - QG2 ILE 8 far 0 70 0 - 6.1-6.9 HD2 LYS 20 - QG2 ILE 15 far 0 96 0 - 6.1-7.2 HD3 LYS 33 - QG2 ILE 8 far 0 46 0 - 6.2-7.2 HD3 LYS 33 - QG2 ILE 15 far 0 75 0 - 6.5-8.0 HD2 LYS 33 - QG2 ILE 15 far 0 75 0 - 7.0-8.2 HD2 LYS 33 - QG2 ILE 8 far 0 46 0 - 7.1-8.1 HD2 LYS 13 - QG2 ILE 15 far 0 100 0 - 7.7-9.9 HD3 LYS 13 - QG2 ILE 15 far 0 99 0 - 7.9-9.8 HB ILE 15 - QG2 ILE 8 far 0 39 0 - 8.4-9.1 HD3 LYS 90 - QG2 ILE 15 far 0 100 0 - 8.5-10.8 HG LEU 70 - QG2 ILE 8 far 0 70 0 - 8.9-10.0 HG2 PRO 86 - QG2 ILE 15 far 0 100 0 - 9.0-9.9 HD2 LYS 12 - QG2 ILE 8 far 0 69 0 - 9.0-12.2 HD3 LYS 66 - QG2 ILE 8 far 0 69 0 - 9.0-9.7 HD3 LYS 12 - QG2 ILE 8 far 0 69 0 - 9.3-11.9 HB3 LEU 70 - QG2 ILE 8 far 0 57 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 658 from cnoeabs.peaks (0.75, 0.81, 17.32 ppm; 2.55 A increased from 2.40 A): 1 out of 23 assignments used, quality = 1.00: QD1 ILE 15 + QG2 ILE 15 OK 100 100 100 100 2.3-2.6 680=100, 2.1/672=41...(25) QG1 VAL 58 - QG2 ILE 8 far 6 42 15 - 2.7-3.2 ! HG13 ILE 15 - QG2 ILE 15 far 5 100 5 - 2.1-3.2 QD1 ILE 15 - QG2 ILE 8 far 0 70 0 - 5.3-6.2 QD1 ILE 93 - QG2 ILE 15 far 0 96 0 - 5.8-6.4 QG1 VAL 5 - QG2 ILE 15 far 0 81 0 - 6.0-6.7 QD1 LEU 6 - QG2 ILE 8 far 0 63 0 - 6.2-6.9 HG13 ILE 15 - QG2 ILE 8 far 0 70 0 - 6.3-7.2 QG2 ILE 8 - QG2 ILE 15 far 0 73 0 - 6.6-7.3 QD1 LEU 64 - QG2 ILE 8 far 0 66 0 - 6.6-7.0 QG1 VAL 5 - QG2 ILE 8 far 0 50 0 - 7.7-7.9 QG2 ILE 93 - QG2 ILE 15 far 0 100 0 - 7.7-8.2 QG1 VAL 54 - QG2 ILE 8 far 0 69 0 - 8.0-8.5 QG1 VAL 58 - QG2 ILE 15 far 0 70 0 - 8.3-9.1 HG13 ILE 93 - QG2 ILE 15 far 0 99 0 - 8.3-9.2 QD1 LEU 6 - QG2 ILE 15 far 0 96 0 - 8.4-8.9 QD2 LEU 42 - QG2 ILE 8 far 0 66 0 - 8.6-9.1 QG2 VAL 78 - QG2 ILE 8 far 0 43 0 - 8.8-9.2 QG1 VAL 54 - QG2 ILE 15 far 0 100 0 - 8.9-9.9 HG3 ARG 81 - QG2 ILE 8 far 0 64 0 - 9.1-11.7 QD1 ILE 93 - QG2 ILE 8 far 0 64 0 - 9.3-9.7 QG1 VAL 78 - QG2 ILE 8 far 0 68 0 - 9.4-10.0 QD1 LEU 27 - QG2 ILE 15 far 0 97 0 - 10.0-10.4 Violated in 1 structures by 0.00 A. Peak 659 from cnoeabs.peaks (0.76, 0.81, 17.32 ppm; 2.55 A increased from 2.40 A): 2 out of 27 assignments used, quality = 1.00: * QD1 ILE 15 + QG2 ILE 15 OK 100 100 100 100 2.3-2.6 680=100, 2.1/672=41...(25) QG2 ILE 7 + QG2 ILE 15 OK 39 59 100 66 2.0-2.7 3.0/276=15...(14) QG1 VAL 58 - QG2 ILE 8 far 5 35 15 - 2.7-3.2 HG13 ILE 15 - QG2 ILE 15 far 5 100 5 - 2.1-3.2 QG2 ILE 7 - QG2 ILE 8 far 0 35 0 - 4.9-5.2 QD1 ILE 15 - QG2 ILE 8 far 0 70 0 - 5.3-6.2 QD1 ILE 93 - QG2 ILE 15 far 0 99 0 - 5.8-6.4 QG1 VAL 5 - QG2 ILE 15 far 0 71 0 - 6.0-6.7 QD1 LEU 6 - QG2 ILE 8 far 0 67 0 - 6.2-6.9 HG13 ILE 15 - QG2 ILE 8 far 0 70 0 - 6.3-7.2 QG2 ILE 8 - QG2 ILE 15 far 0 82 0 - 6.6-7.3 QD1 LEU 64 - QG2 ILE 8 far 0 61 0 - 6.6-7.0 QD2 LEU 57 - QG2 ILE 8 far 0 39 0 - 6.9-7.3 QD2 LEU 57 - QG2 ILE 15 far 0 65 0 - 7.3-8.9 QG1 VAL 5 - QG2 ILE 8 far 0 43 0 - 7.7-7.9 QG2 ILE 93 - QG2 ILE 15 far 0 99 0 - 7.7-8.2 QG1 VAL 54 - QG2 ILE 8 far 0 70 0 - 8.0-8.5 QG1 VAL 58 - QG2 ILE 15 far 0 59 0 - 8.3-9.1 HG13 ILE 93 - QG2 ILE 15 far 0 96 0 - 8.3-9.2 QD1 LEU 6 - QG2 ILE 15 far 0 99 0 - 8.4-8.9 QD2 LEU 42 - QG2 ILE 8 far 0 69 0 - 8.6-9.1 QG2 VAL 78 - QG2 ILE 8 far 0 36 0 - 8.8-9.2 QG1 VAL 54 - QG2 ILE 15 far 0 100 0 - 8.9-9.9 HG3 ARG 81 - QG2 ILE 8 far 0 59 0 - 9.1-11.7 QD1 ILE 93 - QG2 ILE 8 far 0 67 0 - 9.3-9.7 QG1 VAL 78 - QG2 ILE 8 far 0 65 0 - 9.4-10.0 QD1 LEU 27 - QG2 ILE 15 far 0 99 0 - 10.0-10.4 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 3.0-3.5 6231/2.1=84, 4.4=69...(17) H LYS 90 - QG2 ILE 15 far 0 77 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 661 from cnoeabs.peaks (8.07, 1.69, 29.43 ppm; 3.53 A): 3 out of 23 assignments used, quality = 0.94: H LYS 90 + HD3 LYS 90 OK 76 80 95 99 3.2-4.1 7422=49, 7419/2.9=42...(20) * H ILE 15 + HG12 ILE 15 OK 65 100 65 100 2.2-4.0 6217/2.9=67, 677/2.1=64...(17) H GLU 17 + HD2 LYS 20 OK 28 71 55 73 3.4-5.0 6250/12058=45...(19) H GLU 17 - HD3 LYS 20 far 0 65 0 - 4.1-6.1 H LYS 13 - HD3 LYS 12 far 0 68 0 - 4.5-5.6 H LYS 13 - HD2 LYS 12 far 0 68 0 - 4.7-6.6 H LYS 90 - HB3 ARG 91 far 0 67 0 - 4.8-5.0 H ILE 15 - HD3 LYS 12 far 0 68 0 - 5.0-6.8 H GLU 17 - HD3 LYS 90 far 0 98 0 - 5.3-7.9 H ILE 15 - HD2 LYS 12 far 0 68 0 - 5.3-7.0 H LYS 13 - HG12 ILE 15 far 0 100 0 - 5.5-7.2 H GLU 17 - HG12 ILE 15 far 0 99 0 - 6.2-7.3 H GLU 17 - HD3 LYS 12 far 0 64 0 - 7.0-10.0 H ILE 15 - HD2 LYS 20 far 0 74 0 - 7.4-8.6 H GLU 17 - HD2 LYS 12 far 0 64 0 - 7.5-9.9 H LYS 90 - HD3 LYS 20 far 0 48 0 - 8.0-10.9 H ILE 15 - HD3 LYS 90 far 0 100 0 - 8.0-11.0 H ILE 15 - HD3 LYS 20 far 0 69 0 - 8.2-10.0 H LYS 90 - HD2 LYS 20 far 0 53 0 - 8.5-10.9 H LYS 13 - HD2 LYS 20 far 0 74 0 - 8.6-9.8 H LYS 13 - HD3 LYS 20 far 0 69 0 - 9.2-11.1 H LYS 90 - HG12 ILE 15 far 0 81 0 - 9.8-11.3 H LYS 13 - HD3 LYS 90 far 0 100 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 662 from cnoeabs.peaks (3.26, 1.69, 29.43 ppm; 4.31 A): 1 out of 6 assignments used, quality = 1.00: * HA ILE 15 + HG12 ILE 15 OK 100 100 100 100 2.7-2.9 4.1=100 HA ILE 15 - HD3 LYS 12 far 0 68 0 - 6.0-8.8 HA ILE 15 - HD2 LYS 12 far 0 68 0 - 6.8-8.5 HA ILE 15 - HD2 LYS 20 far 0 74 0 - 7.4-8.9 HA ILE 15 - HD3 LYS 20 far 0 69 0 - 7.5-10.1 HA ILE 15 - HD3 LYS 90 far 0 100 0 - 7.6-10.7 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 2.1-3.1 3.2=97, 680/2.1=78...(23) QG2 ILE 7 + HG12 ILE 15 OK 82 99 95 88 2.1-3.5 3.0/8471=25...(13) QG2 ILE 15 - HD3 LYS 12 poor 14 68 20 - 3.3-6.5 QG2 ILE 15 - HD2 LYS 12 far 0 68 0 - 4.2-5.6 QG2 ILE 15 - HD3 LYS 20 far 0 69 0 - 5.7-8.3 QD1 LEU 57 - HB3 ARG 91 far 0 81 0 - 5.8-6.3 QG2 ILE 8 - HG12 ILE 15 far 0 88 0 - 6.1-6.9 QG2 ILE 15 - HD2 LYS 20 far 0 74 0 - 6.1-7.2 QG2 ILE 7 - HD3 LYS 12 far 0 64 0 - 6.5-8.8 QD2 LEU 2 - HD3 LYS 47 far 0 90 0 - 6.7-9.8 QD1 ILE 76 - HD2 LYS 47 far 0 86 0 - 6.7-9.6 QG2 ILE 7 - HD2 LYS 12 far 0 64 0 - 6.8-8.5 QG2 ILE 52 - HD2 LYS 47 far 0 60 0 - 7.0-8.9 QD1 ILE 76 - HD3 LYS 47 far 0 87 0 - 7.0-9.0 QG2 ILE 52 - HD3 LYS 47 far 0 62 0 - 7.1-8.9 QD2 LEU 2 - HD2 LYS 47 far 0 88 0 - 7.3-10.7 QG2 VAL 32 - HG12 ILE 15 far 0 90 0 - 7.4-8.9 QD2 LEU 57 - HB3 ARG 91 far 0 85 0 - 7.5-7.9 QD1 LEU 57 - HD3 LYS 90 far 0 93 0 - 7.7-9.0 QG2 ILE 7 - HD3 LYS 20 far 0 65 0 - 7.9-10.5 QD2 LEU 57 - HG12 ILE 15 far 0 97 0 - 8.3-9.9 QG2 ILE 7 - HD2 LYS 20 far 0 71 0 - 8.3-9.6 QD1 LEU 57 - HG12 ILE 15 far 0 94 0 - 8.3-9.4 QG2 ILE 15 - HD3 LYS 90 far 0 100 0 - 8.5-10.8 QD2 LEU 38 - HG12 ILE 15 far 0 98 0 - 8.7-10.1 QG2 ILE 7 - HD3 LYS 90 far 0 98 0 - 8.8-11.1 QG2 ILE 8 - HD2 LYS 12 far 0 54 0 - 9.0-12.2 QD2 LEU 103 - HB3 ARG 91 far 0 82 0 - 9.0-20.3 QG2 ILE 8 - HD3 LYS 12 far 0 54 0 - 9.3-11.9 QD2 LEU 57 - HD3 LYS 90 far 0 97 0 - 9.3-11.0 QD1 LEU 6 - HG12 ILE 15 far 0 59 0 - 9.8-11.2 QD1 LEU 6 - HD3 LYS 47 far 0 48 0 - 9.9-11.2 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): 4 out of 40 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 OK 21 67 40 78 2.3-4.3 8468/3.0=24...(13) QD1 ILE 15 + HD2 LYS 12 OK 20 67 40 76 2.3-5.2 8468/3.0=24...(11) HG13 ILE 15 - HD2 LYS 12 far 0 68 0 - 4.9-8.1 HG13 ILE 15 - HD3 LYS 12 far 0 68 0 - 5.0-6.9 QD1 ILE 93 - HD3 LYS 90 far 0 96 0 - 5.0-6.2 QG2 ILE 8 - HG12 ILE 15 far 0 73 0 - 6.1-6.9 QD1 ILE 93 - HB3 ARG 91 far 0 84 0 - 6.1-7.2 QD1 ILE 93 - HD3 LYS 20 far 0 62 0 - 6.4-8.7 QD1 ILE 93 - HD2 LYS 20 far 0 68 0 - 6.7-8.6 HG13 ILE 93 - HB3 ARG 91 far 0 87 0 - 6.9-7.6 QG2 ILE 52 - HD2 LYS 47 far 0 71 0 - 7.0-8.9 QG2 ILE 52 - HD3 LYS 47 far 0 73 0 - 7.1-8.9 QD1 ILE 93 - HG12 ILE 15 far 0 96 0 - 7.7-8.2 HG13 ILE 93 - HD3 LYS 90 far 0 98 0 - 7.7-8.6 QG2 ILE 93 - HB3 ARG 91 far 0 90 0 - 7.7-8.0 QG2 ILE 93 - HD3 LYS 90 far 0 100 0 - 7.8-8.2 QG1 VAL 5 - HG12 ILE 15 far 0 81 0 - 7.8-8.5 QG2 ILE 93 - HD3 LYS 20 far 0 68 0 - 8.1-10.0 QG1 VAL 58 - HG12 ILE 15 far 0 70 0 - 8.2-9.2 QD1 ILE 15 - HD2 LYS 20 far 0 74 0 - 8.3-9.4 QD1 ILE 15 - HD3 LYS 20 far 0 68 0 - 8.3-10.5 HG3 ARG 81 - HB3 ARG 91 far 0 84 0 - 8.4-9.2 QG2 ILE 93 - HD2 LYS 20 far 0 74 0 - 8.5-10.1 QG1 VAL 5 - HB3 ARG 91 far 0 67 0 - 8.7-9.4 QG1 VAL 5 - HD3 LYS 90 far 0 80 0 - 8.8-10.4 QD2 LEU 42 - HD2 LYS 47 far 0 84 0 - 8.8-10.5 QD2 LEU 42 - HD3 LYS 47 far 0 86 0 - 8.9-9.9 QG2 ILE 8 - HD2 LYS 12 far 0 42 0 - 9.0-12.2 HG13 ILE 15 - HD2 LYS 20 far 0 74 0 - 9.1-10.6 QG2 ILE 8 - HD3 LYS 12 far 0 42 0 - 9.3-11.9 HG13 ILE 15 - HD3 LYS 20 far 0 69 0 - 9.5-11.9 HG13 ILE 15 - HD3 LYS 90 far 0 100 0 - 9.5-12.5 QG1 VAL 5 - HD3 LYS 20 far 0 48 0 - 9.7-11.8 QD1 ILE 15 - HD3 LYS 90 far 0 100 0 - 9.8-12.2 QD1 LEU 6 - HG12 ILE 15 far 0 96 0 - 9.8-11.2 QG1 VAL 5 - HD2 LYS 20 far 0 53 0 - 9.9-11.6 QG1 VAL 54 - HD3 LYS 47 far 0 88 0 - 9.9-11.7 QD1 LEU 6 - HD3 LYS 47 far 0 82 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 667 from cnoeabs.peaks (0.76, 1.69, 29.43 ppm; 2.79 A): 5 out of 49 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 40 59 95 70 2.1-3.5 3.0/8471=18, ~8470=14...(12) QD1 ILE 15 + HD3 LYS 12 OK 21 68 40 78 2.3-4.3 8468/3.0=24...(13) QD1 ILE 15 + HD2 LYS 12 OK 21 68 40 76 2.3-5.2 8468/3.0=24...(11) HG13 ILE 15 - HD2 LYS 12 far 0 67 0 - 4.9-8.1 HG13 ILE 15 - HD3 LYS 12 far 0 67 0 - 5.0-6.9 QD1 ILE 93 - HD3 LYS 90 far 0 99 0 - 5.0-6.2 QG2 ILE 8 - HG12 ILE 15 far 0 82 0 - 6.1-6.9 QD1 ILE 93 - HB3 ARG 91 far 0 88 0 - 6.1-7.2 QD1 ILE 93 - HD3 LYS 20 far 0 66 0 - 6.4-8.7 QG2 ILE 7 - HD3 LYS 12 far 0 33 0 - 6.5-8.8 QD1 ILE 93 - HD2 LYS 20 far 0 71 0 - 6.7-8.6 QG2 ILE 7 - HD2 LYS 12 far 0 33 0 - 6.8-8.5 HG13 ILE 93 - HB3 ARG 91 far 0 83 0 - 6.9-7.6 QG2 ILE 52 - HD2 LYS 47 far 0 78 0 - 7.0-8.9 QG2 ILE 52 - HD3 LYS 47 far 0 79 0 - 7.1-8.9 QD2 LEU 57 - HB3 ARG 91 far 0 54 0 - 7.5-7.9 QD1 ILE 93 - HG12 ILE 15 far 0 99 0 - 7.7-8.2 HG13 ILE 93 - HD3 LYS 90 far 0 95 0 - 7.7-8.6 QG2 ILE 93 - HB3 ARG 91 far 0 88 0 - 7.7-8.0 QG2 ILE 93 - HD3 LYS 90 far 0 99 0 - 7.8-8.2 QG1 VAL 5 - HG12 ILE 15 far 0 71 0 - 7.8-8.5 QG2 ILE 7 - HD3 LYS 20 far 0 34 0 - 7.9-10.5 QG2 ILE 93 - HD3 LYS 20 far 0 66 0 - 8.1-10.0 QG1 VAL 58 - HG12 ILE 15 far 0 59 0 - 8.2-9.2 QD1 ILE 15 - HD2 LYS 20 far 0 74 0 - 8.3-9.4 QD2 LEU 57 - HG12 ILE 15 far 0 65 0 - 8.3-9.9 QG2 ILE 7 - HD2 LYS 20 far 0 37 0 - 8.3-9.6 QD1 ILE 15 - HD3 LYS 20 far 0 69 0 - 8.3-10.5 HG3 ARG 81 - HB3 ARG 91 far 0 79 0 - 8.4-9.2 QG2 ILE 93 - HD2 LYS 20 far 0 72 0 - 8.5-10.1 QG1 VAL 5 - HB3 ARG 91 far 0 59 0 - 8.7-9.4 QG1 VAL 5 - HD3 LYS 90 far 0 71 0 - 8.8-10.4 QG2 ILE 7 - HD3 LYS 90 far 0 59 0 - 8.8-11.1 QD2 LEU 42 - HD2 LYS 47 far 0 87 0 - 8.8-10.5 QD2 LEU 42 - HD3 LYS 47 far 0 88 0 - 8.9-9.9 QG2 ILE 8 - HD2 LYS 12 far 0 49 0 - 9.0-12.2 HG13 ILE 15 - HD2 LYS 20 far 0 74 0 - 9.1-10.6 QG2 ILE 8 - HD3 LYS 12 far 0 49 0 - 9.3-11.9 QD2 LEU 57 - HD3 LYS 90 far 0 65 0 - 9.3-11.0 HG13 ILE 15 - HD3 LYS 20 far 0 68 0 - 9.5-11.9 HG13 ILE 15 - HD3 LYS 90 far 0 100 0 - 9.5-12.5 QG1 VAL 5 - HD3 LYS 20 far 0 42 0 - 9.7-11.8 QD1 ILE 15 - HD3 LYS 90 far 0 100 0 - 9.8-12.2 QD1 LEU 6 - HG12 ILE 15 far 0 99 0 - 9.8-11.2 QG1 VAL 5 - HD2 LYS 20 far 0 46 0 - 9.9-11.6 QG1 VAL 54 - HD3 LYS 47 far 0 90 0 - 9.9-11.7 QD1 LEU 6 - HD3 LYS 47 far 0 86 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 668 from cnoeabs.peaks (8.02, 1.69, 29.43 ppm; 4.25 A): 1 out of 13 assignments used, quality = 0.77: H LYS 90 + HD3 LYS 90 OK 77 77 100 100 3.2-4.1 7422=70, 4.1/3981=59...(19) H GLU 16 - HD3 LYS 12 far 10 68 15 - 4.2-7.5 ! H GLU 16 - HG12 ILE 15 far 5 100 5 - 4.2-5.1 H ARG 46 - HD2 LYS 47 far 0 87 0 - 4.7-7.0 H LYS 90 - HB3 ARG 91 far 0 64 0 - 4.8-5.0 H ARG 46 - HD3 LYS 47 far 0 88 0 - 4.8-6.4 H GLU 16 - HD2 LYS 12 far 0 68 0 - 4.9-7.1 H GLU 16 - HD2 LYS 20 far 0 74 0 - 5.1-6.3 H GLU 16 - HD3 LYS 20 far 0 69 0 - 5.7-7.5 H GLU 16 - HD3 LYS 90 far 0 100 0 - 7.8-10.7 H LYS 90 - HD3 LYS 20 far 0 46 0 - 8.0-10.9 H LYS 90 - HD2 LYS 20 far 0 50 0 - 8.5-10.9 H LYS 90 - HG12 ILE 15 far 0 77 0 - 9.8-11.3 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 2.3-3.6 6217/2.9=77, 677/2.1=75...(18) H LYS 13 - HG13 ILE 15 far 0 100 0 - 5.3-7.1 H GLU 17 - HG13 ILE 15 far 0 99 0 - 6.1-7.0 H LYS 90 - HG13 ILE 15 far 0 81 0 - 9.8-10.5 Violated in 0 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 2.4-2.8 639=100, 678/2.1=68...(37) 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 11 assignments used, quality = 1.00: * HB ILE 15 + HG13 ILE 15 OK 100 100 100 100 2.6-3.0 2.9=100 HG12 ILE 15 + HG13 ILE 15 OK 65 65 100 100 1.8-1.8 1.8=100 HD2 LYS 12 - HG13 ILE 15 far 0 79 0 - 4.9-8.1 HD3 LYS 12 - HG13 ILE 15 far 0 79 0 - 5.0-6.9 HG3 ARG 19 - HG13 ILE 15 far 0 75 0 - 5.7-6.8 HD3 LYS 33 - HG13 ILE 15 far 0 100 0 - 7.8-9.6 HD2 LYS 33 - HG13 ILE 15 far 0 100 0 - 8.2-10.3 HD2 LYS 13 - HG13 ILE 15 far 0 79 0 - 8.5-10.8 HD3 LYS 13 - HG13 ILE 15 far 0 82 0 - 8.7-10.4 HG2 PRO 86 - HG13 ILE 15 far 0 63 0 - 8.8-10.2 HD3 LYS 90 - HG13 ILE 15 far 0 71 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 672 from cnoeabs.peaks (0.81, 0.75, 29.43 ppm; 3.16 A increased from 2.98 A): 1 out of 8 assignments used, quality = 1.00: * QG2 ILE 15 + HG13 ILE 15 OK 100 100 100 100 2.1-3.2 3.2=97, 658/2.1=78...(24) QG2 ILE 7 - HG13 ILE 15 far 15 99 15 - 2.1-3.7 QG2 ILE 8 - HG13 ILE 15 far 0 88 0 - 6.3-7.2 QG2 VAL 32 - HG13 ILE 15 far 0 90 0 - 7.5-9.0 QD1 LEU 57 - HG13 ILE 15 far 0 94 0 - 8.3-9.3 QD2 LEU 38 - HG13 ILE 15 far 0 98 0 - 8.9-10.0 QD2 LEU 57 - HG13 ILE 15 far 0 97 0 - 8.9-10.0 QD1 LEU 6 - HG13 ILE 15 far 0 59 0 - 9.9-11.4 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 2.6-3.0 2.9=100 HD2 LYS 12 - HG13 ILE 15 far 0 100 0 - 4.9-8.1 HD3 LYS 12 - HG13 ILE 15 far 0 100 0 - 5.0-6.9 HD3 LYS 33 - HG13 ILE 15 far 0 75 0 - 7.8-9.6 HD2 LYS 33 - HG13 ILE 15 far 0 75 0 - 8.2-10.3 HD2 LYS 13 - HG13 ILE 15 far 0 100 0 - 8.5-10.8 HD3 LYS 13 - HG13 ILE 15 far 0 99 0 - 8.7-10.4 HG2 PRO 86 - HG13 ILE 15 far 0 100 0 - 8.8-10.2 HD2 LYS 20 - HG13 ILE 15 far 0 96 0 - 9.1-10.6 HG3 LYS 20 - HG13 ILE 15 far 0 93 0 - 9.4-11.8 HD3 LYS 20 - HG13 ILE 15 far 0 93 0 - 9.5-11.9 HD3 LYS 90 - HG13 ILE 15 far 0 100 0 - 9.5-12.5 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 4.3-5.1 6231/2.9=96, 3.6/639=89...(12) H LYS 90 - HG13 ILE 15 far 0 77 0 - 9.8-10.5 Violated in 1 structures by 0.00 A. Peak 677 from cnoeabs.peaks (8.07, 0.76, 13.00 ppm; 3.64 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 15 + QD1 ILE 15 OK 100 100 100 100 3.0-3.3 6217/3.2=64, 669/2.1=62...(20) H LYS 13 - QD1 ILE 15 far 0 100 0 - 4.3-4.9 H GLU 17 - QD1 ILE 15 far 0 99 0 - 6.2-6.5 Violated in 0 structures by 0.00 A. Peak 678 from cnoeabs.peaks (3.26, 0.76, 13.00 ppm; 3.89 A increased from 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 15 + QD1 ILE 15 OK 100 100 100 100 3.8-3.9 639/2.1=86, 4.2=82...(29) Violated in 1 structures by 0.00 A. Peak 679 from cnoeabs.peaks (1.73, 0.76, 13.00 ppm; 2.95 A): 4 out of 11 assignments used, quality = 1.00: * HB ILE 15 + QD1 ILE 15 OK 100 100 100 100 2.1-2.3 3.2=76, 2.1/680=70...(27) HG12 ILE 15 + QD1 ILE 15 OK 65 65 100 100 2.1-2.1 2.1=100 HD2 LYS 12 + QD1 ILE 15 OK 27 79 40 85 2.3-5.2 3.0/8468=28...(12) HD3 LYS 12 + QD1 ILE 15 OK 27 79 40 84 2.3-4.3 3.0/8468=28...(12) HD3 LYS 33 - QD1 ILE 15 far 0 100 0 - 4.8-6.4 HD2 LYS 33 - QD1 ILE 15 far 0 100 0 - 5.6-6.9 HG3 ARG 19 - QD1 ILE 15 far 0 75 0 - 5.7-6.5 HD2 LYS 13 - QD1 ILE 15 far 0 79 0 - 7.1-8.9 HD3 LYS 13 - QD1 ILE 15 far 0 82 0 - 7.3-8.6 HG2 PRO 86 - QD1 ILE 15 far 0 63 0 - 8.7-9.9 HD3 LYS 90 - QD1 ILE 15 far 0 71 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 680 from cnoeabs.peaks (0.81, 0.76, 13.00 ppm; 2.55 A increased from 2.40 A): 1 out of 8 assignments used, quality = 1.00: * QG2 ILE 15 + QD1 ILE 15 OK 100 100 100 100 2.3-2.6 658=100, 672/2.1=41...(26) QG2 ILE 7 - QD1 ILE 15 far 0 99 0 - 3.2-3.9 QG2 ILE 8 - QD1 ILE 15 far 0 88 0 - 5.3-6.2 QG2 VAL 32 - QD1 ILE 15 far 0 90 0 - 6.9-7.5 QD2 LEU 38 - QD1 ILE 15 far 0 98 0 - 8.1-8.6 QD1 LEU 57 - QD1 ILE 15 far 0 94 0 - 8.4-9.2 QD2 LEU 57 - QD1 ILE 15 far 0 97 0 - 8.6-9.8 QD1 LEU 6 - QD1 ILE 15 far 0 59 0 - 9.2-9.9 Violated in 1 structures by 0.00 A. Peak 681 from cnoeabs.peaks (1.69, 0.76, 13.00 ppm; 2.89 A): 4 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 65 100 100 2.1-2.3 3.2=72, 2.1/680=68...(26) HD3 LYS 12 + QD1 ILE 15 OK 34 100 40 85 2.3-4.3 3.0/8468=27, 10396=23...(14) HD2 LYS 12 + QD1 ILE 15 OK 34 100 40 84 2.3-5.2 3.0/8468=27...(13) HD3 LYS 33 - QD1 ILE 15 far 0 75 0 - 4.8-6.4 HD2 LYS 33 - QD1 ILE 15 far 0 75 0 - 5.6-6.9 HD2 LYS 13 - QD1 ILE 15 far 0 100 0 - 7.1-8.9 HD3 LYS 13 - QD1 ILE 15 far 0 99 0 - 7.3-8.6 HD2 LYS 20 - QD1 ILE 15 far 0 96 0 - 8.3-9.4 HD3 LYS 20 - QD1 ILE 15 far 0 93 0 - 8.3-10.5 HG3 LYS 20 - QD1 ILE 15 far 0 93 0 - 8.4-10.8 HG2 PRO 86 - QD1 ILE 15 far 0 100 0 - 8.7-9.9 HD3 LYS 90 - QD1 ILE 15 far 0 100 0 - 9.8-12.2 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 1 assignment used, quality = 1.00: * H GLU 16 + QD1 ILE 15 OK 100 100 100 100 4.0-4.3 6231/3.2=80, 660/680=79...(13) 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 6 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 - 5.3-5.5 H LYS 90 - HA GLU 17 far 0 36 0 - 6.4-7.1 H GLY 101 - HA GLU 95 far 0 47 0 - 7.0-9.5 H GLU 16 - HA LYS 20 far 0 81 0 - 8.2-9.0 H LYS 90 - HA GLU 16 far 0 77 0 - 9.8-10.3 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 22 assignments used, quality = 1.00: * HB2 GLU 16 + HA GLU 16 OK 100 100 100 100 2.8-3.0 3.0=100 HB2 GLU 98 - HA GLU 95 poor 19 30 100 63 2.4-3.6 4368=41, 4.0/7583=16...(5) HB2 GLU 16 - HA GLU 17 far 0 55 0 - 3.8-4.4 HB3 GLU 98 - HA GLU 95 far 0 29 0 - 4.0-5.3 HB2 GLU 23 - HA LYS 20 far 0 77 0 - 4.5-5.0 HB3 GLU 99 - HA GLU 95 far 0 23 0 - 4.5-6.9 HB2 MET 21 - HA GLU 17 far 0 41 0 - 4.6-5.6 HB2 GLU 99 - HA GLU 95 far 0 29 0 - 4.7-7.0 HB3 PRO 86 - HA GLU 17 far 0 37 0 - 4.8-5.5 HB2 MET 21 - HA LYS 20 far 0 62 0 - 5.6-5.6 QE MET 21 - HA GLU 95 far 0 37 0 - 6.1-6.7 QE MET 21 - HA LYS 20 far 0 65 0 - 6.2-6.6 QE MET 21 - HA GLU 17 far 0 43 0 - 6.9-7.9 HB2 GLU 16 - HA LYS 20 far 0 81 0 - 7.1-7.9 HB2 MET 21 - HA GLU 16 far 0 85 0 - 7.2-8.7 HB3 PRO 86 - HA GLU 16 far 0 79 0 - 8.2-8.7 HG12 ILE 93 - HA GLU 17 far 0 27 0 - 8.8-9.4 HG12 ILE 93 - HA LYS 20 far 0 43 0 - 8.8-9.7 HG12 ILE 93 - HA GLU 95 far 0 23 0 - 9.0-9.6 QE MET 21 - HA GLU 16 far 0 88 0 - 9.2-10.4 HB2 GLU 23 - HA GLU 16 far 0 99 0 - 9.6-10.8 HG12 ILE 93 - HA GLU 16 far 0 61 0 - 9.7-10.6 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 10 assignments used, quality = 1.00: * HB3 GLU 16 + HA GLU 16 OK 100 100 100 100 2.4-2.9 3.0=100 HB3 GLU 23 + HA LYS 20 OK 53 76 100 69 3.0-3.5 6366/6358=36, 705=26...(4) HB3 GLU 95 + HA GLU 95 OK 47 47 100 100 2.3-3.0 3.0=100 HB2 GLU 95 + HA GLU 95 OK 22 22 100 100 2.4-3.0 3.0=100 HB3 GLU 16 - HA GLU 17 far 0 55 0 - 4.1-4.9 HB3 GLU 16 - HA LYS 20 far 0 81 0 - 5.8-8.7 HG3 PRO 86 - HA GLU 17 far 0 36 0 - 6.6-7.7 HB3 GLU 23 - HA GLU 16 far 0 98 0 - 8.4-9.6 HB3 GLU 23 - HA GLU 17 far 0 52 0 - 8.6-9.2 HG3 PRO 86 - HA GLU 16 far 0 77 0 - 9.3-10.8 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 2.0-2.7 712=100, 6239/3.0=60...(25) HG2 GLU 16 - HA GLU 17 far 0 55 0 - 6.1-6.5 HG2 GLU 16 - HA LYS 20 far 0 81 0 - 7.4-8.5 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 3.3-3.8 1.8/712=82, 4.1=71...(17) HG2 GLU 23 + HA LYS 20 OK 43 58 100 73 2.4-3.5 1.8/10471=36...(5) HG2 GLU 95 + HA GLU 95 OK 33 34 100 100 2.1-3.8 4.1=69, 1.8/4308=61...(10) HG3 GLU 16 - HA GLU 17 far 0 55 0 - 6.1-6.6 HG2 GLU 23 - HA GLU 16 far 0 81 0 - 6.8-8.1 HG2 GLU 23 - HA GLU 17 far 0 38 0 - 8.0-8.7 HG3 GLU 16 - HA LYS 20 far 0 81 0 - 8.5-9.3 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 10 assignments used, quality = 1.00: * H GLU 17 + HA GLU 16 OK 99 100 100 99 3.6-3.6 3.6=87, 6250/3.0=55...(11) 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 - 5.1-5.3 H LYS 90 - HA GLU 17 far 0 48 0 - 6.4-7.1 H ILE 15 - HA GLU 17 far 0 52 0 - 6.8-7.1 H LYS 13 - HA GLU 16 far 0 98 0 - 6.9-7.5 H GLU 17 - HA LYS 20 far 0 81 0 - 7.3-7.8 H SER 102 - HA GLU 95 far 0 48 0 - 7.8-13.0 H LYS 13 - HA GLU 17 far 0 52 0 - 8.5-9.1 H LYS 90 - HA GLU 16 far 0 95 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 692 from cnoeabs.peaks (8.90, 4.04, 59.03 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 19 + HA GLU 16 OK 100 100 100 100 3.1-3.5 6278=100, 6286/798=66...(18) H ARG 19 - HA GLU 17 poor 11 55 20 - 4.2-4.8 H ARG 19 - HA LYS 20 far 0 81 0 - 5.2-5.4 Violated in 0 structures by 0.00 A. Peak 693 from cnoeabs.peaks (1.89, 4.04, 59.03 ppm; 3.21 A): 2 out of 20 assignments used, quality = 0.92: HB2 LYS 20 + HA LYS 20 OK 80 80 100 100 2.3-2.6 3.0=100 HB3 ARG 19 + HA GLU 16 OK 57 63 100 90 2.1-2.8 6285/6278=44, 798=34...(12) ! HB2 ARG 19 - HA GLU 16 far 0 100 0 - 3.6-4.4 HB2 ARG 19 - HA LYS 20 far 0 81 0 - 3.9-4.4 HB3 ARG 19 - HA LYS 20 far 0 44 0 - 4.1-4.6 HB2 LYS 94 - HA GLU 95 far 0 31 0 - 4.4-5.5 HB2 LYS 20 - HA GLU 17 far 0 55 0 - 4.6-5.0 HB2 LYS 20 - HA GLU 16 far 0 100 0 - 5.0-7.3 HB3 ARG 19 - HA GLU 17 far 0 28 0 - 5.0-5.7 HB2 LYS 12 - HA GLU 16 far 0 81 0 - 5.7-6.3 HB2 ARG 19 - HA GLU 17 far 0 55 0 - 6.5-7.2 HB3 LYS 13 - HA GLU 17 far 0 44 0 - 6.9-7.7 HB3 LYS 12 - HA GLU 16 far 0 84 0 - 7.3-7.8 HB3 LYS 13 - HA GLU 16 far 0 90 0 - 7.5-8.1 HB3 LEU 14 - HA GLU 16 far 0 99 0 - 7.7-7.9 HB2 LYS 13 - HA GLU 16 far 0 87 0 - 7.9-8.5 HB2 LYS 13 - HA GLU 17 far 0 42 0 - 8.0-8.9 HB3 LEU 14 - HA GLU 17 far 0 53 0 - 8.1-8.5 HB2 LYS 12 - HA GLU 17 far 0 38 0 - 8.8-9.5 HB3 LYS 12 - HA GLU 17 far 0 40 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 694 from cnoeabs.peaks (1.93, 4.04, 59.03 ppm; 3.10 A): 3 out of 23 assignments used, quality = 0.99: * HB3 ARG 19 + HA GLU 16 OK 93 100 100 93 2.1-2.8 798=57, 6286/6278=40...(13) HB3 LYS 20 + HA LYS 20 OK 80 80 100 100 2.5-3.0 3.0=100 HB2 GLU 17 + HA GLU 17 OK 52 52 100 100 2.5-2.6 2.9=100 HB3 LYS 20 - HA GLU 17 poor 18 55 75 45 3.0-5.3 870=20, 3.5/916=9...(7) HB2 ARG 19 - HA GLU 16 far 0 63 0 - 3.6-4.4 HB2 ARG 19 - HA LYS 20 far 0 44 0 - 3.9-4.4 HB3 ARG 19 - HA LYS 20 far 0 81 0 - 4.1-4.6 HB2 LYS 94 - HA GLU 95 far 0 47 0 - 4.4-5.5 HB3 ARG 19 - HA GLU 17 far 0 55 0 - 5.0-5.7 HB3 LYS 20 - HA GLU 16 far 0 100 0 - 5.0-7.0 HB2 LYS 24 - HA LYS 20 far 0 50 0 - 5.1-6.4 HB3 LYS 24 - HA LYS 20 far 0 50 0 - 6.0-7.7 HB2 ARG 19 - HA GLU 17 far 0 28 0 - 6.5-7.2 HB2 GLU 17 - HA GLU 16 far 0 98 0 - 6.5-6.6 HB3 LYS 13 - HA GLU 17 far 0 50 0 - 6.9-7.7 HB2 GLU 17 - HA LYS 20 far 0 76 0 - 7.2-8.4 HB3 LYS 13 - HA GLU 16 far 0 96 0 - 7.5-8.1 HB3 LEU 14 - HA GLU 16 far 0 82 0 - 7.7-7.9 HB2 LYS 13 - HA GLU 16 far 0 98 0 - 7.9-8.5 HB2 LYS 13 - HA GLU 17 far 0 51 0 - 8.0-8.9 HB3 LEU 14 - HA GLU 17 far 0 39 0 - 8.1-8.5 HB2 LYS 24 - HA GLU 17 far 0 33 0 - 8.5-9.1 HB3 LYS 24 - HA GLU 17 far 0 33 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 695 from cnoeabs.peaks (4.15, 2.08, 29.20 ppm; 3.05 A): 2 out of 4 assignments used, quality = 0.97: HA GLU 23 + HB2 GLU 23 OK 95 95 100 100 2.4-2.5 3.0=100 * HA LYS 13 + HB2 GLU 16 OK 49 100 60 82 3.0-3.8 493=61, 6226/6237=34...(5) HA LYS 47 - HB3 GLU 43 far 0 93 0 - 7.9-9.1 HA GLU 62 - HB3 GLU 35 far 0 61 0 - 8.6-10.2 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 2.4-3.4 6237=100, 6238/1.8=66...(12) H ARG 46 - HB3 GLU 43 far 0 95 0 - 5.3-5.7 H LYS 90 - HB2 GLU 16 far 0 77 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 697 from cnoeabs.peaks (4.04, 2.08, 29.20 ppm; 3.23 A): 1 out of 8 assignments used, quality = 1.00: * HA GLU 16 + HB2 GLU 16 OK 100 100 100 100 2.8-3.0 3.0=100 HA GLU 17 - HB2 GLU 16 far 0 99 0 - 3.8-4.4 HA LYS 20 - HB2 GLU 23 far 0 95 0 - 4.5-5.0 HA LYS 66 - HB3 GLU 35 far 0 61 0 - 6.2-7.3 HA LYS 20 - HB2 GLU 16 far 0 100 0 - 7.1-7.9 HA LEU 70 - HB3 GLU 35 far 0 75 0 - 7.8-9.1 HA ARG 46 - HB3 GLU 43 far 0 72 0 - 7.9-8.1 HA GLU 16 - HB2 GLU 23 far 0 96 0 - 9.6-10.8 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): 4 out of 11 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 HG3 GLU 35 + HB3 GLU 35 OK 47 65 90 80 2.2-3.0 2.9=54, 1.8/1558=17...(16) HG2 GLU 43 + HB3 GLU 43 OK 22 81 35 77 2.2-3.0 3.0=51, 1977/6694=17...(12) HG2 GLU 35 - HB3 GLU 35 poor 16 65 25 - 2.2-3.0 HG2 GLU 44 - HB3 GLU 43 far 0 68 0 - 6.5-6.9 HG3 PRO 86 - HB2 GLU 16 far 0 77 0 - 7.1-9.2 HB2 GLU 63 - HB3 GLU 35 far 0 63 0 - 7.5-8.9 HB2 GLU 69 - HB3 GLU 35 far 0 50 0 - 7.9-9.1 HB3 GLU 69 - HB3 GLU 35 far 0 50 0 - 8.7-9.9 HG2 GLU 69 - HB3 GLU 35 far 0 50 0 - 9.4-11.2 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 5 assignments used, quality = 1.00: * HG2 GLU 16 + HB2 GLU 16 OK 100 100 100 100 2.6-2.9 3.0=91, 712/3.0=40...(20) HG3 GLU 43 + HB3 GLU 43 OK 88 89 100 99 2.2-3.0 3.0=92, 6696/6694=33...(19) HG3 GLU 44 - HB3 GLU 43 far 0 90 0 - 6.2-6.7 HB2 TYR 41 - HB3 GLU 43 far 0 80 0 - 6.7-7.1 HG2 GLU 48 - HB3 GLU 43 far 0 96 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 701 from cnoeabs.peaks (2.30, 2.08, 29.20 ppm; 2.75 A): 3 out of 9 assignments used, quality = 1.00: * HG3 GLU 16 + HB2 GLU 16 OK 97 100 100 97 2.2-2.8 3.0=76, 6240/6237=31...(17) HG3 GLU 43 + HB3 GLU 43 OK 76 80 100 95 2.2-3.0 3.0=77, 6696/6694=26...(18) HG2 GLU 23 + HB2 GLU 23 OK 72 74 100 97 2.7-3.0 2.9=86, 4303/1.8=39...(13) HB2 TYR 41 - HB3 GLU 43 far 0 89 0 - 6.7-7.1 HG2 GLU 62 - HB3 GLU 35 far 0 58 0 - 6.8-10.1 HG2 GLU 63 - HB3 GLU 35 far 0 93 0 - 7.0-9.2 HG3 GLU 62 - HB3 GLU 35 far 0 58 0 - 7.7-11.5 HG2 GLU 23 - HB2 GLU 16 far 0 81 0 - 9.0-9.9 HG2 GLU 48 - HB3 GLU 43 far 0 61 0 - 9.7-13.1 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 2.3-2.8 6250=100, 710/1.8=70...(8) H ILE 15 - HB2 GLU 16 far 0 99 0 - 4.6-5.8 H LYS 13 - HB2 GLU 16 far 0 98 0 - 5.1-6.3 H LYS 39 - HB3 GLU 35 far 0 81 0 - 5.5-6.3 H LYS 39 - HB3 GLU 43 far 0 85 0 - 7.4-8.4 H LYS 90 - HB2 GLU 16 far 0 95 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 703 from cnoeabs.peaks (4.15, 2.17, 29.20 ppm; 3.22 A): 1 out of 6 assignments used, quality = 0.94: HA GLU 23 + HB3 GLU 23 OK 94 94 100 100 3.0-3.0 3.0=100 ! HA LYS 13 - HB3 GLU 16 far 10 100 10 - 2.4-5.1 HA GLU 99 - HB3 GLU 95 far 0 48 0 - 6.0-8.1 HA MET 1 - HB3 GLN 50 far 0 80 0 - 6.2-7.5 HA GLU 98 - HB3 GLU 95 far 0 45 0 - 7.3-8.7 HA LYS 47 - HB3 GLN 50 far 0 77 0 - 7.4-8.7 Violated in 0 structures by 0.00 A. Peak 704 from cnoeabs.peaks (8.02, 2.17, 29.20 ppm; 3.62 A increased from 3.41 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 16 + HB3 GLU 16 OK 100 100 100 100 2.1-3.6 6238=100, 6237/1.8=84...(12) H GLY 101 - HB3 GLU 95 far 0 72 0 - 6.5-10.4 H LYS 90 - HB3 GLU 95 far 0 49 0 - 8.6-10.8 Violated in 0 structures by 0.00 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 2.4-2.9 3.0=100 HA GLU 95 + HB3 GLU 95 OK 59 59 100 100 2.3-3.0 3.0=100 HA LYS 20 + HB3 GLU 23 OK 56 94 95 63 3.0-3.5 6358/6366=32...(4) HA GLU 17 - HB3 GLU 16 far 0 99 0 - 4.1-4.9 HB2 SER 49 - HB3 GLN 50 far 0 75 0 - 5.6-7.0 HA LYS 20 - HB3 GLU 16 far 0 100 0 - 5.8-8.7 HA ARG 46 - HB3 GLN 50 far 0 56 0 - 8.2-8.9 HA GLU 16 - HB3 GLU 23 far 0 95 0 - 8.4-9.6 HA GLU 17 - HB3 GLU 23 far 0 94 0 - 8.6-9.2 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 18 assignments used, quality = 1.00: * HB2 GLU 16 + HB3 GLU 16 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 23 + HB3 GLU 23 OK 92 92 100 100 1.8-1.8 1.8=100 HB3 GLU 99 - HB3 GLU 95 far 0 38 0 - 4.1-8.2 HB2 GLU 99 - HB3 GLU 95 far 0 46 0 - 4.2-7.1 HB2 GLU 98 - HB3 GLU 95 far 0 48 0 - 4.5-6.2 HB3 GLU 48 - HB3 GLN 50 far 0 58 0 - 5.1-6.2 HB3 GLU 98 - HB3 GLU 95 far 0 46 0 - 5.8-7.8 QE MET 21 - HB3 GLU 23 far 0 80 0 - 6.0-6.5 QE MET 21 - HB3 GLU 95 far 0 58 0 - 6.5-8.0 HB2 MET 21 - HB3 GLU 23 far 0 77 0 - 6.6-7.1 HB3 PRO 86 - HB3 GLU 16 far 0 79 0 - 7.2-8.5 HB2 MET 21 - HB3 GLU 16 far 0 85 0 - 7.9-9.9 HG12 ILE 93 - HB3 GLU 95 far 0 38 0 - 8.3-9.9 HB3 GLU 88 - HB3 GLU 95 far 0 73 0 - 8.6-10.4 HG12 ILE 93 - HB3 GLU 23 far 0 54 0 - 8.9-10.2 HG3 GLU 28 - HB3 GLU 23 far 0 91 0 - 9.6-11.9 QE MET 21 - HB3 GLU 16 far 0 88 0 - 9.7-11.6 HG2 GLU 28 - HB3 GLU 23 far 0 91 0 - 9.9-12.1 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 2.7-3.0 3.0=100 HG2 GLU 48 - HB3 GLN 50 far 0 80 0 - 4.5-6.7 HD3 ARG 81 - HB3 GLU 95 far 0 49 0 - 8.3-11.4 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 2.2-2.9 3.0=96, 720/1.8=35...(18) HG2 GLU 23 + HB3 GLU 23 OK 72 72 100 100 2.2-2.3 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 far 0 80 0 - 3.4-5.0 HG2 GLU 48 - HB3 GLN 50 far 0 47 0 - 4.5-6.7 HG2 GLU 23 - HB3 GLU 16 far 0 81 0 - 7.7-10.7 HD3 ARG 81 - HB3 GLU 95 far 0 70 0 - 8.3-11.4 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 5 assignments used, quality = 1.00: * H GLU 17 + HB3 GLU 16 OK 100 100 100 100 2.8-3.6 6251=95, 6250/1.8=80...(6) H ILE 15 - HB3 GLU 16 far 0 99 0 - 4.3-6.2 H LYS 13 - HB3 GLU 16 far 0 98 0 - 4.6-7.2 H SER 102 - HB3 GLU 95 far 0 73 0 - 7.3-13.8 H LYS 90 - HB3 GLU 95 far 0 65 0 - 8.6-10.8 Violated in 4 structures by 0.01 A. Peak 711 from cnoeabs.peaks (8.02, 2.34, 36.00 ppm; 3.79 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 16 + HG2 GLU 16 OK 100 100 100 100 2.1-3.6 6239=100, 6240/1.8=81...(12) H ARG 46 - HG3 GLU 44 far 0 72 0 - 5.3-6.3 H ARG 46 - HG3 GLU 43 far 0 61 0 - 5.8-7.1 H ARG 46 - HG2 GLU 48 far 0 81 0 - 6.1-8.8 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 10 assignments used, quality = 1.00: * HA GLU 16 + HG2 GLU 16 OK 100 100 100 100 2.0-2.7 689=71, 3.0/6239=48...(23) HA LYS 66 - HG3 GLU 69 far 0 69 0 - 4.2-5.1 HA GLU 17 - HG2 GLU 16 far 0 99 0 - 6.1-6.5 HA LEU 70 - HG3 GLU 69 far 0 83 0 - 6.1-6.5 HA ARG 46 - HG2 GLU 48 far 0 58 0 - 6.6-8.2 HA LYS 20 - HG2 GLU 16 far 0 100 0 - 7.4-8.5 HA ARG 46 - HG3 GLU 44 far 0 50 0 - 7.4-8.4 HA ARG 46 - HG3 GLU 43 far 0 42 0 - 7.6-9.3 HB2 SER 49 - HG2 GLU 48 far 0 78 0 - 7.6-8.5 HA LEU 70 - HG3 GLU 43 far 0 47 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 713 from cnoeabs.peaks (2.08, 2.34, 36.00 ppm; 2.86 A): 3 out of 16 assignments used, quality = 1.00: * HB2 GLU 16 + HG2 GLU 16 OK 98 100 100 98 2.6-2.9 3.0=85, 3.0/712=38...(16) HB3 GLU 48 + HG2 GLU 48 OK 58 60 100 97 2.3-3.0 3.0=85, ~2253=23...(13) HB3 GLU 43 + HG3 GLU 43 OK 58 59 100 97 2.2-3.0 3.0=86, 6694/6696=31...(20) HB3 GLU 48 - HG3 GLU 44 far 0 52 0 - 5.7-7.4 HB2 MET 74 - HG3 GLU 43 far 0 58 0 - 5.7-7.9 HB3 GLU 43 - HG3 GLU 44 far 0 70 0 - 6.2-6.7 HG2 GLU 28 - HG3 GLU 44 far 0 69 0 - 7.6-10.2 HG3 GLU 28 - HG3 GLU 44 far 0 69 0 - 8.1-10.2 HB2 LEU 64 - HG3 GLU 69 far 0 61 0 - 8.4-9.8 HB3 LEU 38 - HG3 GLU 43 far 0 62 0 - 8.6-10.8 HB3 PRO 86 - HG2 GLU 16 far 0 79 0 - 9.0-9.8 HG2 GLU 28 - HG2 GLU 48 far 0 78 0 - 9.1-13.1 HB2 MET 21 - HG2 GLU 16 far 0 85 0 - 9.3-10.5 HG3 GLU 37 - HG3 GLU 43 far 0 36 0 - 9.4-12.5 HB3 GLU 43 - HG2 GLU 48 far 0 79 0 - 9.7-13.1 HG3 GLU 28 - HG2 GLU 48 far 0 78 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 714 from cnoeabs.peaks (2.17, 2.34, 36.00 ppm; 2.41 A): 4 out of 18 assignments used, quality = 0.92: 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 HG2 GLU 44 + HG3 GLU 44 OK 48 48 100 100 1.8-1.8 1.8=100 HB3 GLU 69 + HG3 GLU 69 OK 31 57 65 84 2.5-2.9 3.0=53, 3.0/3118=26...(11) HB2 GLU 69 - HG3 GLU 69 far 3 57 5 - 2.7-3.0 ! HB3 GLU 16 - HG2 GLU 16 far 0 100 0 - 2.7-3.0 HB3 GLN 50 - HG2 GLU 48 far 0 80 0 - 4.5-6.7 HG2 GLU 44 - HG2 GLU 48 far 0 55 0 - 4.8-8.9 HB2 GLN 72 - HG3 GLU 69 far 0 99 0 - 5.1-6.0 HG2 GLU 44 - HG3 GLU 43 far 0 40 0 - 8.1-9.1 HG2 GLU 43 - HG3 GLU 44 far 0 58 0 - 8.4-8.9 HG3 GLU 35 - HG3 GLU 69 far 0 73 0 - 8.8-10.8 HG2 MET 1 - HG2 GLU 48 far 0 52 0 - 9.0-10.4 HG2 GLU 35 - HG3 GLU 43 far 0 40 0 - 9.1-11.6 HG3 PRO 86 - HG2 GLU 16 far 0 77 0 - 9.3-11.7 HG3 GLU 35 - HG3 GLU 43 far 0 40 0 - 9.4-11.5 HB3 GLU 75 - HG3 GLU 43 far 0 48 0 - 9.5-12.7 HG2 GLU 35 - HG3 GLU 69 far 0 73 0 - 9.7-11.6 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 29 83 40 89 2.4-3.0 3.0=51, 2253/1.8=34...(14) HG2 GLU 48 - HG3 GLU 44 far 0 42 0 - 5.0-8.2 HB2 TYR 41 - HG3 GLU 43 far 0 56 0 - 6.7-8.9 HB2 TYR 41 - HG3 GLU 44 far 0 66 0 - 7.1-7.9 HB2 GLU 48 - HG3 GLU 44 far 0 73 0 - 7.4-9.2 HB2 TYR 4 - HG2 GLU 48 far 0 81 0 - 8.0-11.2 HG3 GLU 43 - HG3 GLU 44 far 0 57 0 - 8.2-8.9 HB2 TYR 4 - HG3 GLU 44 far 0 72 0 - 8.4-9.9 HG3 GLU 62 - HG3 GLU 69 far 0 65 0 - 8.6-11.5 HG2 GLU 23 - HG2 GLU 16 far 0 81 0 - 8.8-9.9 HG2 GLU 62 - HG3 GLU 69 far 0 65 0 - 8.8-11.3 Violated in 0 structures by 0.00 A. Peak 717 from cnoeabs.peaks (8.06, 2.34, 36.00 ppm; 4.73 A increased from 3.98 A): 2 out of 6 assignments used, quality = 1.00: * H GLU 17 + HG2 GLU 16 OK 100 100 100 100 4.2-4.8 6250/3.0=89, 710/3.0=85...(6) H ILE 15 + HG2 GLU 16 OK 49 99 60 82 4.4-6.1 4.6/6239=60, 6252=32...(4) H LYS 13 - HG2 GLU 16 far 0 98 0 - 5.3-6.7 H LYS 39 - HG3 GLU 43 far 0 52 0 - 6.2-7.7 H GLU 75 - HG3 GLU 69 far 0 96 0 - 9.4-10.2 H GLU 75 - HG3 GLU 43 far 0 58 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 718 from cnoeabs.peaks (8.02, 2.30, 36.00 ppm; 3.94 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 16 + HG3 GLU 16 OK 100 100 100 100 2.6-3.6 6240=100, 6239/1.8=84...(11) H ARG 46 - HG3 GLU 43 far 0 47 0 - 5.8-7.1 H GLU 16 - HG2 GLU 23 far 0 50 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 719 from cnoeabs.peaks (4.04, 2.30, 36.00 ppm; 3.71 A): 2 out of 10 assignments used, quality = 1.00: * HA GLU 16 + HG3 GLU 16 OK 100 100 100 100 3.3-3.8 4.1=75, 689/1.8=74...(17) HA LYS 20 + HG2 GLU 23 OK 36 48 100 74 2.4-3.5 10471/1.8=37...(5) HB3 SER 59 - HG2 GLU 63 far 0 99 0 - 5.0-7.7 HA GLU 17 - HG3 GLU 16 far 0 99 0 - 6.1-6.6 HA GLU 16 - HG2 GLU 23 far 0 50 0 - 6.8-8.1 HA ARG 46 - HG3 GLU 43 far 0 32 0 - 7.6-9.3 HA GLU 17 - HG2 GLU 23 far 0 48 0 - 8.0-8.7 HA LYS 66 - HG2 GLU 63 far 0 71 0 - 8.2-9.8 HA LYS 20 - HG3 GLU 16 far 0 100 0 - 8.5-9.3 HA LEU 70 - HG3 GLU 43 far 0 36 0 - 9.2-10.8 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 17 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 2.7-3.0 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 0 97 0 - 4.3-6.9 HB2 MET 74 - HG3 GLU 43 far 0 45 0 - 5.7-7.9 HB2 MET 21 - HG2 GLU 23 far 0 37 0 - 6.6-7.6 QE MET 21 - HG2 GLU 23 far 0 38 0 - 6.8-7.6 HB2 LEU 64 - HG2 GLU 63 far 0 63 0 - 6.9-7.4 HB3 GLU 35 - HG2 GLU 63 far 0 100 0 - 7.0-9.2 HB3 LEU 38 - HG2 GLU 63 far 0 100 0 - 8.0-9.6 HB3 PRO 86 - HG3 GLU 16 far 0 79 0 - 8.4-9.5 HG12 ILE 93 - HG2 GLU 23 far 0 24 0 - 8.5-10.0 HB3 LEU 38 - HG3 GLU 43 far 0 48 0 - 8.6-10.8 HG3 GLU 28 - HG2 GLU 23 far 0 46 0 - 8.8-11.2 HB2 GLU 16 - HG2 GLU 23 far 0 50 0 - 9.0-9.9 HG2 GLU 28 - HG2 GLU 23 far 0 46 0 - 9.2-11.6 HG3 GLU 37 - HG3 GLU 43 far 0 27 0 - 9.4-12.5 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 12 assignments used, quality = 0.99: * HB3 GLU 16 + HG3 GLU 16 OK 93 100 100 93 2.2-2.9 3.0=66, 6238/6240=24...(13) HB2 GLU 63 + HG2 GLU 63 OK 65 73 100 89 2.4-2.7 3.0=67, 3.0/2766=25...(10) HB3 GLU 23 + HG2 GLU 23 OK 43 46 100 93 2.2-2.3 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 HB3 GLU 16 - HG2 GLU 23 far 0 50 0 - 7.7-10.7 HG3 GLU 35 - HG2 GLU 63 far 0 75 0 - 7.7-11.1 HG2 GLU 44 - HG3 GLU 43 far 0 30 0 - 8.1-9.1 HG3 PRO 86 - HG3 GLU 16 far 0 77 0 - 8.9-11.1 HG2 GLU 35 - HG3 GLU 43 far 0 30 0 - 9.1-11.6 HG2 GLU 35 - HG2 GLU 63 far 0 75 0 - 9.2-11.4 HG3 GLU 35 - HG3 GLU 43 far 0 30 0 - 9.4-11.5 HB3 GLU 75 - HG3 GLU 43 far 0 36 0 - 9.5-12.7 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 HB2 TYR 41 - HG3 GLU 43 far 0 36 0 - 6.7-8.9 HG3 GLU 44 - HG3 GLU 43 far 0 43 0 - 8.2-8.9 HG2 GLU 16 - HG2 GLU 23 far 0 50 0 - 8.8-9.9 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; 4.91 A increased from 4.13 A): 3 out of 6 assignments used, quality = 1.00: * H GLU 17 + HG3 GLU 16 OK 100 100 100 100 4.0-4.9 6250/3.0=92, 710/3.0=88...(7) H LYS 13 + HG3 GLU 16 OK 71 98 90 81 4.5-5.4 2.9/8479=49, ~493=45...(4) H ILE 15 + HG3 GLU 16 OK 55 99 65 87 4.6-5.8 4.6/6240=65, 6253=28...(5) H LYS 39 - HG3 GLU 43 far 0 40 0 - 6.2-7.7 H GLU 17 - HG2 GLU 23 far 0 50 0 - 9.1-10.1 H GLU 75 - HG3 GLU 43 far 0 45 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 725 from cnoeabs.peaks (8.06, 4.05, 58.64 ppm; 3.41 A): 2 out of 9 assignments used, quality = 1.00: * H GLU 17 + HA GLU 17 OK 100 100 100 100 2.7-2.8 2.9=100 H GLU 17 + HA GLU 16 OK 55 55 100 99 3.6-3.6 3.6=87, 6250/3.0=55...(10) H ILE 15 - HA GLU 16 far 0 52 0 - 5.1-5.3 H LYS 90 - HA GLU 17 far 0 95 0 - 6.4-7.1 H ILE 15 - HA GLU 17 far 0 99 0 - 6.8-7.1 H LYS 13 - HA GLU 16 far 0 52 0 - 6.9-7.5 H LYS 13 - HA GLU 17 far 0 98 0 - 8.5-9.1 H LYS 39 - HA LYS 66 far 0 49 0 - 8.8-9.8 H LYS 90 - HA GLU 16 far 0 48 0 - 9.8-10.3 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 2.5-2.6 2.9=100 HB3 ARG 19 + HA GLU 16 OK 45 52 100 88 2.1-2.8 798=48, 6286/6280=35...(11) HB3 LYS 20 + HA GLU 17 OK 20 100 50 41 3.0-5.3 870=18, 3.5/916=8...(7) HB3 ARG 19 - HA GLU 17 far 0 98 0 - 5.0-5.7 HB3 LYS 20 - HA GLU 16 far 0 54 0 - 5.0-7.0 HB2 GLU 17 - HA GLU 16 far 0 55 0 - 6.5-6.6 HB3 LYS 13 - HA GLU 17 far 0 82 0 - 6.9-7.7 HB3 LYS 13 - HA GLU 16 far 0 39 0 - 7.5-8.1 HB3 LEU 14 - HA GLU 16 far 0 26 0 - 7.7-7.9 HB2 LYS 73 - HA LYS 66 far 0 52 0 - 7.7-8.5 HB2 LYS 13 - HA GLU 16 far 0 41 0 - 7.9-8.5 HB2 LYS 13 - HA GLU 17 far 0 85 0 - 8.0-8.9 HB3 LEU 14 - HA GLU 17 far 0 59 0 - 8.1-8.5 HB2 LYS 24 - HA GLU 17 far 0 91 0 - 8.5-9.1 HB3 LYS 73 - HA LYS 66 far 0 53 0 - 9.2-9.7 HB3 LYS 24 - HA GLU 17 far 0 91 0 - 9.5-10.5 HB3 MET 74 - HA LYS 66 far 0 48 0 - 10.0-11.5 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 HB3 GLU 17 - HA GLU 16 far 0 55 0 - 5.6-5.8 HB2 GLU 62 - HA LYS 66 far 0 57 0 - 6.6-7.5 HB2 GLU 35 - HA LYS 66 far 0 59 0 - 7.4-8.6 QE MET 74 - HA LYS 66 far 0 58 0 - 8.3-9.5 HG12 ILE 93 - HA GLU 17 far 0 75 0 - 8.8-9.4 HG12 ILE 93 - HA GLU 16 far 0 35 0 - 9.7-10.6 HB3 LYS 94 - HA GLU 17 far 0 96 0 - 9.9-11.5 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 2.5-3.6 3.9=92, 748/2.9=76...(13) HG2 GLU 17 - HA GLU 16 far 0 55 0 - 5.3-7.4 HG2 GLU 62 - HA LYS 66 far 0 50 0 - 5.4-7.9 HG3 GLU 62 - HA LYS 66 far 0 50 0 - 5.9-8.3 HG2 GLU 23 - HA GLU 16 far 0 40 0 - 6.8-8.1 HB3 GLN 72 - HA LYS 66 far 0 57 0 - 7.1-7.6 HG2 GLU 23 - HA GLU 17 far 0 84 0 - 8.0-8.7 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 8 assignments used, quality = 1.00: * HG3 GLU 17 + HA GLU 17 OK 100 100 100 100 2.3-3.8 3.9=98, 1.8/729=77...(16) HG3 MET 21 - HA GLU 17 far 0 79 0 - 4.8-6.1 HG3 GLU 17 - HA GLU 16 far 0 55 0 - 5.8-7.1 HB3 MET 21 - HA GLU 17 far 0 77 0 - 6.4-7.3 HG3 MET 21 - HA GLU 16 far 0 37 0 - 8.5-10.1 HB3 MET 21 - HA GLU 16 far 0 36 0 - 8.7-10.2 HB2 ASP 11 - HA GLU 16 far 0 55 0 - 9.8-10.7 HG2 GLN 72 - HA LYS 66 far 0 58 0 - 9.8-10.2 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 3.5-3.6 3.6=100 H ALA 18 + HA GLU 16 OK 52 55 95 99 4.0-4.6 6259/3.6=70...(10) H ASP 11 - HA GLU 16 far 0 47 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 732 from cnoeabs.peaks (7.79, 4.05, 58.64 ppm; 3.51 A): 2 out of 3 assignments used, quality = 0.75: H LYS 66 + HA LYS 66 OK 56 56 100 100 2.8-2.8 3.0=100 H LYS 20 + HA GLU 16 OK 43 55 85 91 3.2-4.8 6291/6280=49, 4.1/798=37...(12) ! H LYS 20 - HA GLU 17 far 5 100 5 - 3.4-4.3 Violated in 0 structures by 0.00 A. Peak 733 from cnoeabs.peaks (1.89, 4.05, 58.64 ppm; 3.23 A): 1 out of 17 assignments used, quality = 0.41: HB3 LYS 66 + HA LYS 66 OK 41 41 100 100 3.0-3.0 3.0=100 HB2 ARG 19 - HA GLU 16 far 0 55 0 - 3.6-4.4 ! HB2 LYS 20 - HA GLU 17 far 0 100 0 - 4.6-5.0 HB2 LYS 20 - HA GLU 16 far 0 55 0 - 5.0-7.3 HB2 LYS 12 - HA GLU 16 far 0 41 0 - 5.7-6.3 HB2 ARG 19 - HA GLU 17 far 0 100 0 - 6.5-7.2 HB3 LYS 68 - HA LYS 66 far 0 51 0 - 6.8-7.0 HB3 LYS 13 - HA GLU 17 far 0 85 0 - 6.9-7.7 HB3 LYS 12 - HA GLU 16 far 0 43 0 - 7.3-7.8 HB3 LYS 13 - HA GLU 16 far 0 41 0 - 7.5-8.1 HB3 LEU 14 - HA GLU 16 far 0 51 0 - 7.7-7.9 HB2 LYS 13 - HA GLU 16 far 0 39 0 - 7.9-8.5 HB2 LYS 13 - HA GLU 17 far 0 82 0 - 8.0-8.9 HB3 LEU 14 - HA GLU 17 far 0 98 0 - 8.1-8.5 HB3 LYS 39 - HA LYS 66 far 0 42 0 - 8.2-11.1 HB2 LYS 12 - HA GLU 17 far 0 85 0 - 8.8-9.5 HB3 LYS 12 - HA GLU 17 far 0 88 0 - 9.9-10.7 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 17 assignments used, quality = 1.00: HB2 GLU 17 + HA GLU 17 OK 100 100 100 100 2.5-2.6 2.9=100 HB3 ARG 19 + HA GLU 16 OK 50 55 100 92 2.1-2.8 798=55, 6286/6280=39...(12) * HB3 LYS 20 + HA GLU 17 OK 33 100 75 44 3.0-5.3 870=20, 3.5/916=8...(7) HB3 ARG 19 - HA GLU 17 far 0 100 0 - 5.0-5.7 HB3 LYS 20 - HA GLU 16 far 0 55 0 - 5.0-7.0 HB2 GLU 17 - HA GLU 16 far 0 54 0 - 6.5-6.6 HB3 LYS 13 - HA GLU 17 far 0 92 0 - 6.9-7.7 HB3 LYS 13 - HA GLU 16 far 0 46 0 - 7.5-8.1 HB3 LEU 14 - HA GLU 16 far 0 34 0 - 7.7-7.9 HB2 LYS 73 - HA LYS 66 far 0 46 0 - 7.7-8.5 HB2 LYS 13 - HA GLU 16 far 0 47 0 - 7.9-8.5 HB2 LYS 13 - HA GLU 17 far 0 94 0 - 8.0-8.9 HB3 LEU 14 - HA GLU 17 far 0 73 0 - 8.1-8.5 HB2 LYS 24 - HA GLU 17 far 0 81 0 - 8.5-9.1 HB3 LYS 73 - HA LYS 66 far 0 47 0 - 9.2-9.7 HB3 LYS 24 - HA GLU 17 far 0 81 0 - 9.5-10.5 HB3 MET 74 - HA LYS 66 far 0 41 0 - 10.0-11.5 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 99 100 100 99 4.2-5.1 593/1.8=74, 8477/3.0=63...(7) HA LYS 90 + HB2 GLU 17 OK 39 98 50 79 4.6-5.5 4.0/12027=56, 3.0/736=18...(7) HA GLU 88 - HB2 GLU 17 far 0 88 0 - 8.2-8.9 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 3.6-3.6 4.0=100 H LYS 90 + HB2 GLU 17 OK 28 95 40 73 4.1-5.0 7420/12027=36...(10) H ILE 15 - HB2 GLU 17 far 0 99 0 - 6.7-7.2 H LYS 13 - HB2 GLU 17 far 0 98 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 737 from cnoeabs.peaks (4.05, 1.94, 29.01 ppm; 3.85 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 17 + HB2 GLU 17 OK 100 100 100 100 2.5-2.6 2.9=100 HA PRO 86 + HB2 GLU 17 OK 29 63 65 71 3.8-4.9 745/1.8=21, 9894=18...(13) HA GLU 16 - HB2 GLU 17 far 0 99 0 - 6.5-6.6 HA LYS 20 - HB2 GLU 17 far 0 100 0 - 7.2-8.4 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 - 8.3-8.8 HB3 LYS 94 - HB2 GLU 17 far 0 96 0 - 9.0-10.4 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 2.2-3.0 3.0=100 HG2 GLU 23 - HB2 GLU 17 far 0 84 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 741 from cnoeabs.peaks (2.43, 1.94, 29.01 ppm; 3.91 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 17 + HB2 GLU 17 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 MET 21 - HB2 GLU 17 far 0 79 0 - 4.8-5.8 HB3 MET 21 - HB2 GLU 17 far 0 77 0 - 6.3-6.9 HB2 ASP 11 - HB2 GLU 17 far 0 100 0 - 9.5-11.3 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 3.4-3.8 6269/1.8=94, 4.6=88...(12) Violated in 0 structures by 0.00 A. Peak 743 from cnoeabs.peaks (3.68, 2.01, 29.01 ppm; 4.84 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 14 + HB3 GLU 17 OK 100 100 100 100 2.6-3.5 593=76, 8477/748=63...(10) HA LEU 42 - HB2 GLU 44 poor 18 51 40 86 5.0-5.4 6719/6724=67...(3) HA LYS 90 - HB3 GLU 17 far 0 98 0 - 5.6-6.5 HA LEU 42 - HB3 GLU 44 far 0 51 0 - 6.3-6.8 HA GLU 37 - HB2 GLU 35 far 0 47 0 - 7.6-7.8 HA GLU 88 - HB3 GLU 17 far 0 88 0 - 8.7-9.2 HA GLU 37 - HB2 GLU 44 far 0 46 0 - 9.1-9.7 HA GLU 37 - HB3 GLU 44 far 0 46 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 744 from cnoeabs.peaks (8.06, 2.01, 29.01 ppm; 3.96 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 17 + HB3 GLU 17 OK 100 100 100 100 2.3-2.6 6256=100, 6258/3.0=66...(10) H LYS 90 - HB3 GLU 17 far 0 95 0 - 4.8-5.4 H ILE 15 - HB3 GLU 17 far 0 99 0 - 4.9-5.6 H LYS 39 - HB2 GLU 35 far 0 54 0 - 5.3-5.9 H LYS 13 - HB3 GLU 17 far 0 98 0 - 7.0-7.8 H LYS 39 - HB2 GLU 44 far 0 53 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 745 from cnoeabs.peaks (4.05, 2.01, 29.01 ppm; 3.68 A): 2 out of 10 assignments used, quality = 1.00: * HA GLU 17 + HB3 GLU 17 OK 100 100 100 100 3.0-3.0 2.9=100 HA PRO 86 + HB3 GLU 17 OK 36 63 100 56 3.4-3.9 9894/1.8=16, 9885/593=15...(9) HB2 SER 49 - HB2 GLN 50 far 0 87 0 - 4.8-7.7 HA GLU 16 - HB3 GLU 17 far 0 99 0 - 5.6-5.8 HA LYS 66 - HB2 GLU 35 far 0 48 0 - 7.4-8.6 HA ARG 46 - HB2 GLU 44 far 0 52 0 - 7.5-7.9 HA LYS 20 - HB3 GLU 17 far 0 100 0 - 7.9-8.7 HA ARG 46 - HB2 GLN 50 far 0 74 0 - 8.2-10.1 HA ARG 46 - HB3 GLU 44 far 0 52 0 - 8.2-8.7 HA LEU 70 - HB2 GLU 35 far 0 39 0 - 8.4-9.3 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 26 assignments used, quality = 1.00: * HB2 GLU 17 + HB3 GLU 17 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 43 - HB3 GLU 44 far 0 35 0 - 4.7-5.5 HB2 GLU 43 - HB2 GLU 44 far 0 35 0 - 5.3-5.9 HB3 LYS 13 - HB3 GLU 17 far 0 82 0 - 5.4-6.1 HB3 LEU 14 - HB3 GLU 17 far 0 59 0 - 5.4-6.2 HB3 LYS 47 - HB3 GLU 44 far 0 55 0 - 5.9-6.4 HB3 LYS 20 - HB3 GLU 17 far 0 100 0 - 5.9-8.1 HB3 LYS 47 - HB2 GLU 44 far 0 55 0 - 6.0-6.6 HB2 LYS 13 - HB3 GLU 17 far 0 85 0 - 6.1-7.2 QE MET 1 - HB2 GLN 50 far 0 53 0 - 6.3-8.1 HB3 ARG 46 - HB2 GLU 44 far 0 55 0 - 6.3-8.0 HB2 ARG 46 - HB2 GLU 44 far 0 38 0 - 6.5-8.2 HB3 ARG 19 - HB3 GLU 17 far 0 98 0 - 6.5-7.1 HB2 GLU 37 - HB2 GLU 35 far 0 35 0 - 6.7-7.2 HB3 ARG 46 - HB3 GLU 44 far 0 55 0 - 6.7-8.3 HB2 ARG 46 - HB3 GLU 44 far 0 38 0 - 6.8-8.5 HB2 LYS 47 - HB3 GLU 44 far 0 45 0 - 7.0-7.3 HB2 LYS 47 - HB2 GLU 44 far 0 45 0 - 7.4-7.8 HB2 LYS 47 - HB2 GLN 50 far 0 66 0 - 7.8-10.1 HB3 LYS 47 - HB2 GLN 50 far 0 79 0 - 8.0-10.2 HB2 LYS 33 - HB2 GLU 35 far 0 49 0 - 8.7-9.2 HG3 GLU 88 - HB3 GLU 17 far 0 100 0 - 8.8-10.4 HB VAL 32 - HB2 GLU 35 far 0 64 0 - 9.0-9.4 HB2 MET 1 - HB2 GLN 50 far 0 87 0 - 9.4-12.1 HB3 LYS 33 - HB2 GLU 35 far 0 47 0 - 9.8-10.2 HB3 ARG 46 - HB2 GLN 50 far 0 78 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 747 from cnoeabs.peaks (2.01, 2.01, 29.01 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 GLU 17 + HB3 GLU 17 OK 100 100 - 100 HB2 GLN 50 + HB2 GLN 50 OK 79 79 - 100 HB2 GLU 35 + HB2 GLU 35 OK 64 64 - 100 HB3 GLU 44 + HB3 GLU 44 OK 62 62 - 100 HB2 GLU 44 + HB2 GLU 44 OK 62 62 - 100 Peak 748 from cnoeabs.peaks (2.24, 2.01, 29.01 ppm; 2.91 A): 1 out of 4 assignments used, quality = 0.99: * HG2 GLU 17 + HB3 GLU 17 OK 99 100 100 99 2.4-2.9 3.0=91, 729/2.9=33...(13) HG2 GLU 37 - HB2 GLU 35 far 0 59 0 - 6.7-8.8 HG2 GLU 62 - HB2 GLU 35 far 0 55 0 - 8.3-11.5 HG3 GLU 62 - HB2 GLU 35 far 0 55 0 - 9.2-12.9 Violated in 1 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 2.3-3.0 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 - 6.1-7.3 HG3 GLU 48 - HB2 GLN 50 far 0 87 0 - 6.3-8.0 HB3 MET 21 - HB3 GLU 17 far 0 77 0 - 7.0-7.9 HB3 TYR 4 - HB2 GLU 44 far 0 43 0 - 7.2-8.3 HB2 ASP 11 - HB3 GLU 17 far 0 100 0 - 7.9-9.7 HG3 GLU 48 - HB2 GLU 44 far 0 63 0 - 7.9-9.9 HG3 GLU 48 - HB3 GLU 44 far 0 63 0 - 8.3-10.3 HB3 TYR 4 - HB3 GLU 44 far 0 43 0 - 8.8-10.0 HG3 MET 1 - HB2 GLN 50 far 0 84 0 - 9.5-11.9 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 2.5-2.9 6269=100, 6259/6256=84...(11) H ASP 11 - HB3 GLU 17 far 0 94 0 - 9.1-10.1 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 2.0-4.0 6257=100, 6258/1.8=82...(8) H SER 102 - HG2 GLU 99 far 4 75 5 - 3.9-10.7 H ILE 15 - HG2 GLU 17 far 0 99 0 - 5.5-7.5 H LYS 90 - HG2 GLU 17 far 0 95 0 - 5.5-7.4 H LYS 13 - HG2 GLU 17 far 0 98 0 - 6.4-8.6 H SER 102 - HG2 GLU 98 far 0 60 0 - 7.6-13.6 H GLU 17 - HG2 GLU 23 far 0 54 0 - 9.1-10.1 Violated in 3 structures by 0.02 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 2.5-3.6 729=95, 2.9/748=75...(13) HA LYS 20 + HG2 GLU 23 OK 39 54 100 72 2.4-3.5 10471/1.8=39...(5) HA GLU 95 - HG2 GLU 99 poor 13 51 25 - 3.5-5.9 HA PRO 86 - HG2 GLU 17 far 0 63 0 - 4.2-5.9 HA GLU 95 - HG2 GLU 98 far 0 39 0 - 4.9-6.0 HA GLU 16 - HG2 GLU 17 far 0 99 0 - 5.3-7.4 HA GLU 16 - HG2 GLU 23 far 0 53 0 - 6.8-8.1 HA GLU 17 - HG2 GLU 23 far 0 54 0 - 8.0-8.7 HA LYS 20 - HG2 GLU 17 far 0 100 0 - 8.2-9.5 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 17 assignments used, quality = 1.00: * HB2 GLU 17 + HG2 GLU 17 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 13 - HG2 GLU 17 far 0 82 0 - 4.2-6.0 HB3 ARG 19 - HG2 GLU 23 far 0 51 0 - 4.4-5.7 HB3 LYS 20 - HG2 GLU 23 far 0 53 0 - 4.8-6.4 HB2 LYS 94 - HG2 GLU 98 far 0 51 0 - 5.2-7.5 HB3 LYS 20 - HG2 GLU 17 far 0 100 0 - 5.4-8.1 HB2 LYS 13 - HG2 GLU 17 far 0 85 0 - 5.6-7.5 HB2 LYS 24 - HG2 GLU 23 far 0 44 0 - 6.0-6.6 HB3 LYS 24 - HG2 GLU 23 far 0 44 0 - 6.3-7.9 HB3 LEU 14 - HG2 GLU 17 far 0 59 0 - 6.4-8.1 HB3 ARG 19 - HG2 GLU 17 far 0 98 0 - 6.9-8.9 QE MET 1 - HG2 GLU 99 far 0 44 0 - 7.4-10.1 HB2 LYS 94 - HG2 GLU 99 far 0 65 0 - 8.1-10.4 HB3 LYS 24 - HG2 GLU 98 far 0 49 0 - 8.8-11.8 HG3 GLU 88 - HG2 GLU 17 far 0 100 0 - 8.8-12.1 HB2 LYS 24 - HG2 GLU 98 far 0 49 0 - 9.8-11.6 HB2 GLU 17 - HG2 GLU 23 far 0 54 0 - 9.9-10.6 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 13 assignments used, quality = 1.00: * HB3 GLU 17 + HG2 GLU 17 OK 100 100 100 100 2.4-2.9 748=100, 2.9/729=35...(13) HB3 GLU 99 + HG2 GLU 99 OK 50 50 100 100 2.5-3.0 3.0=100 HB2 GLU 99 + HG2 GLU 99 OK 41 41 100 100 2.5-3.0 3.0=100 HB3 GLU 98 + HG2 GLU 98 OK 31 31 100 99 2.3-2.9 3.0=97, 3.0/4365=30...(11) HB2 GLU 98 + HG2 GLU 98 OK 30 30 100 99 2.8-3.0 3.0=97, 3.0/4365=30...(11) HB2 GLU 98 - HG2 GLU 99 far 2 39 5 - 3.1-5.2 HB3 GLU 98 - HG2 GLU 99 far 0 41 0 - 4.0-6.0 HB3 LYS 94 - HG2 GLU 98 far 0 53 0 - 6.0-8.3 HB3 GLU 99 - HG2 GLU 98 far 0 38 0 - 6.8-8.4 HB2 GLU 99 - HG2 GLU 98 far 0 31 0 - 6.9-8.3 QE MET 1 - HG2 GLU 99 far 0 51 0 - 7.4-10.1 HG12 ILE 93 - HG2 GLU 23 far 0 34 0 - 8.5-10.0 HB3 LYS 94 - HG2 GLU 99 far 0 68 0 - 8.7-11.3 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 9 assignments used, quality = 1.00: * HG3 GLU 17 + HG2 GLU 17 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 99 + HG2 GLU 99 OK 73 73 100 100 1.8-1.8 1.8=100 HG3 MET 21 - HG2 GLU 17 far 0 79 0 - 6.6-8.4 HG3 GLU 99 - HG2 GLU 98 far 0 58 0 - 6.7-8.7 HB3 MET 21 - HG2 GLU 23 far 0 35 0 - 7.0-8.0 HG3 MET 21 - HG2 GLU 23 far 0 36 0 - 7.8-8.8 HB3 MET 21 - HG2 GLU 17 far 0 77 0 - 8.4-9.7 HG3 MET 1 - HG2 GLU 99 far 0 72 0 - 8.5-11.5 HB2 ASP 11 - HG2 GLU 17 far 0 100 0 - 8.6-10.6 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 4.2-5.3 6269/748=90...(10) H ALA 18 - HG2 GLU 23 far 0 54 0 - 8.1-9.2 H ASP 11 - HG2 GLU 17 far 0 94 0 - 9.8-11.7 H LEU 55 - HG2 GLU 99 far 0 65 0 - 9.8-13.4 Violated in 4 structures by 0.02 A. Peak 758 from cnoeabs.peaks (8.06, 2.43, 36.00 ppm; 3.68 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 17 + HG3 GLU 17 OK 100 100 100 100 2.4-3.6 6258=100, 6257/1.8=69...(12) H SER 102 - HG3 GLU 99 far 0 98 0 - 4.5-11.3 H ILE 15 - HG3 GLU 17 far 0 99 0 - 5.6-7.5 H LYS 90 - HG3 GLU 17 far 0 95 0 - 6.1-7.3 H LYS 13 - HG3 GLU 17 far 0 98 0 - 6.4-8.9 Violated in 0 structures by 0.00 A. Peak 759 from cnoeabs.peaks (4.05, 2.43, 36.00 ppm; 3.96 A increased from 3.73 A): 2 out of 7 assignments used, quality = 1.00: * HA GLU 17 + HG3 GLU 17 OK 100 100 100 100 2.3-3.8 3.9=100 HA PRO 86 + HG3 GLU 17 OK 28 63 55 79 4.0-5.7 2.3/12333=27...(10) HA GLU 95 - HG3 GLU 99 poor 15 73 20 - 3.9-6.5 HA GLU 16 - HG3 GLU 17 far 0 99 0 - 5.8-7.1 HA ARG 46 - HG3 GLU 48 far 0 71 0 - 7.7-8.7 HA LYS 20 - HG3 GLU 17 far 0 100 0 - 8.0-10.0 HB2 SER 49 - HG3 GLU 48 far 0 83 0 - 8.1-9.1 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 16 assignments used, quality = 1.00: * HB2 GLU 17 + HG3 GLU 17 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 13 - HG3 GLU 17 far 0 82 0 - 3.9-6.5 HB3 LYS 47 - HG3 GLU 48 far 0 75 0 - 4.6-5.7 HB2 LYS 13 - HG3 GLU 17 far 0 85 0 - 5.0-8.0 HB3 LYS 20 - HG3 GLU 17 far 0 100 0 - 5.1-8.9 HB2 LYS 47 - HG3 GLU 48 far 0 63 0 - 5.5-6.4 HB3 LEU 14 - HG3 GLU 17 far 0 59 0 - 6.0-8.2 QE MET 1 - HG3 GLU 99 far 0 63 0 - 6.0-10.2 HB3 ARG 19 - HG3 GLU 17 far 0 98 0 - 7.4-8.6 QE MET 1 - HG3 GLU 48 far 0 50 0 - 8.0-9.1 HB2 LYS 94 - HG3 GLU 99 far 0 89 0 - 8.2-10.6 HG3 GLU 88 - HG3 GLU 17 far 0 100 0 - 9.0-11.6 HB2 MET 1 - HG3 GLU 99 far 0 98 0 - 9.0-13.2 HB3 ARG 46 - HG3 GLU 48 far 0 74 0 - 9.1-10.1 HB2 ARG 46 - HG3 GLU 48 far 0 53 0 - 9.3-10.5 HB2 MET 1 - HG3 GLU 48 far 0 84 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 761 from cnoeabs.peaks (2.01, 2.43, 36.00 ppm; 2.97 A): 3 out of 15 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...(15) HB3 GLU 99 + HG3 GLU 99 OK 71 71 100 100 2.2-3.0 3.0=100 HB2 GLU 99 + HG3 GLU 99 OK 60 60 100 100 2.3-2.9 3.0=100 HB2 GLU 98 - HG3 GLU 99 far 0 58 0 - 3.9-6.2 HB3 GLU 98 - HG3 GLU 99 far 0 60 0 - 4.8-7.2 HB2 LYS 47 - HG3 GLU 48 far 0 45 0 - 5.5-6.4 QE MET 1 - HG3 GLU 99 far 0 73 0 - 6.0-10.2 HB2 GLN 50 - HG3 GLU 48 far 0 75 0 - 6.3-8.0 HB2 GLU 44 - HG3 GLU 48 far 0 83 0 - 7.9-9.9 QE MET 1 - HG3 GLU 48 far 0 58 0 - 8.0-9.1 HB3 GLU 44 - HG3 GLU 48 far 0 83 0 - 8.3-10.3 HB2 ARG 46 - HG3 GLU 48 far 0 55 0 - 9.3-10.5 HB3 LYS 94 - HG3 GLU 99 far 0 92 0 - 9.3-11.2 HB3 MET 1 - HG3 GLU 48 far 0 84 0 - 9.6-10.4 HB3 MET 1 - HG3 GLU 99 far 0 98 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 762 from cnoeabs.peaks (2.24, 2.43, 36.00 ppm; 2.44 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 17 + HG3 GLU 17 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 99 + HG3 GLU 99 OK 84 84 100 100 1.8-1.8 1.8=100 HG2 GLU 95 - HG3 GLU 99 far 0 78 0 - 3.6-8.7 HG2 GLU 98 - HG3 GLU 99 far 0 75 0 - 6.7-8.7 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 4.5-5.1 6269/3.0=88...(9) H ASP 11 - HG3 GLU 17 far 0 94 0 - 9.5-12.0 H LEU 55 - HG3 GLU 99 far 0 89 0 - 9.7-12.5 Violated in 3 structures by 0.01 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 - 7.5-8.1 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 - 9.0-9.7 H VAL 5 - HA ALA 18 far 0 94 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 769 from cnoeabs.peaks (7.68, 3.77, 54.96 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: * H MET 21 + HA ALA 18 OK 100 100 100 100 3.6-4.0 6319=100, 6333/770=65...(13) H ALA 25 - HA ALA 18 far 0 84 0 - 8.3-8.8 H SER 85 - HA ALA 18 far 0 100 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 770 from cnoeabs.peaks (2.05, 3.77, 54.96 ppm; 3.78 A): 1 out of 6 assignments used, quality = 0.97: * HB2 MET 21 + HA ALA 18 OK 97 100 100 97 2.5-3.2 959=64, 6333/6319=50...(11) HG12 ILE 93 - HA ALA 18 far 0 98 0 - 4.2-4.7 HB2 GLU 16 - HA ALA 18 far 0 85 0 - 7.3-7.6 HB3 LYS 94 - HA ALA 18 far 0 81 0 - 7.7-8.8 HB3 GLU 88 - HA ALA 18 far 0 82 0 - 9.1-9.7 HB2 GLU 23 - HA ALA 18 far 0 65 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 771 from cnoeabs.peaks (2.40, 3.77, 54.96 ppm; 5.58 A): 2 out of 3 assignments used, quality = 1.00: * HB3 MET 21 + HA ALA 18 OK 100 100 100 100 3.6-4.3 1.8/770=100, 4.0/6319=79...(11) HG3 MET 21 + HA ALA 18 OK 100 100 100 100 4.6-5.4 3.0/770=95, 1.8/8490=84...(11) HG3 GLU 17 - HA ALA 18 far 0 77 0 - 6.2-6.6 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 2.6-3.3 643=100, 8459/8278=47...(19) Violated in 0 structures by 0.00 A. Peak 773 from cnoeabs.peaks (8.65, 1.23, 17.96 ppm; 3.09 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 18 + QB ALA 18 OK 100 100 100 100 2.0-2.3 2.9=100 H ASP 11 - QB ALA 18 far 0 94 0 - 7.9-8.4 H LEU 55 - QB ALA 18 far 0 93 0 - 8.2-8.8 H ASN 10 - QB ALA 18 far 0 97 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 774 from cnoeabs.peaks (3.77, 1.23, 17.96 ppm; 3.03 A): 1 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 far 0 70 0 - 3.7-3.9 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 2.5-2.8 6283=100, 6281/2.9=59...(19) H LEU 57 - QB ALA 18 far 0 79 0 - 6.2-6.6 H VAL 5 - QB ALA 18 far 0 94 0 - 7.3-7.9 Violated in 0 structures by 0.00 A. Peak 777 from cnoeabs.peaks (8.90, 3.81, 59.98 ppm; 3.64 A): 1 out of 4 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 - 8.0-8.9 H ASP 77 - HA LYS 68 far 0 98 0 - 9.1-9.5 H LEU 57 - HA LYS 68 far 0 78 0 - 9.2-9.7 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 9 assignments used, quality = 1.00: * HB2 ARG 19 + HA ARG 19 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 LYS 68 + HA LYS 68 OK 90 90 100 100 2.4-2.5 3.0=100 HB3 ARG 19 + HA ARG 19 OK 63 63 100 100 3.0-3.0 3.0=100 HB VAL 5 - HA ARG 19 far 0 75 0 - 5.9-6.8 HB2 LYS 20 - HA ARG 19 far 0 100 0 - 5.9-6.6 HB VAL 54 - HA LYS 68 far 0 99 0 - 7.5-8.0 HB3 LYS 66 - HA LYS 68 far 0 74 0 - 7.7-7.9 HG LEU 42 - HA LYS 68 far 0 100 0 - 7.9-8.5 HB3 LYS 39 - HA LYS 68 far 0 76 0 - 9.7-12.3 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 10 assignments used, quality = 1.00: * HB3 ARG 19 + HA ARG 19 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 ARG 19 + HA ARG 19 OK 63 63 100 100 2.4-2.6 3.0=100 HB3 LYS 20 - HA ARG 19 far 0 100 0 - 5.7-6.6 HB2 GLU 17 - HA ARG 19 far 0 98 0 - 7.8-8.2 HB2 LYS 24 - HA ARG 19 far 0 71 0 - 7.8-8.5 HB3 MET 74 - HA LYS 68 far 0 70 0 - 7.9-8.8 HG LEU 42 - HA LYS 68 far 0 70 0 - 7.9-8.5 HB2 LYS 73 - HA LYS 68 far 0 80 0 - 8.1-8.7 HB3 LYS 24 - HA ARG 19 far 0 71 0 - 9.0-10.0 HB3 LYS 73 - HA LYS 68 far 0 81 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 781 from cnoeabs.peaks (1.58, 3.81, 59.98 ppm; 3.70 A increased from 3.48 A): 2 out of 10 assignments used, quality = 1.00: * HG2 ARG 19 + HA ARG 19 OK 100 100 100 100 2.4-3.6 809=85, 1.8/782=74...(23) HB3 LEU 29 + HA ARG 19 OK 97 99 100 99 2.9-3.7 3.1/8685=55, 3.1/8507=31...(18) HG3 LYS 73 - HA LYS 68 far 0 97 0 - 7.9-8.8 HG3 LYS 90 - HA ARG 19 far 0 100 0 - 8.0-8.5 HB2 ARG 79 - HA LYS 68 far 0 96 0 - 8.1-9.0 HG2 LYS 24 - HA ARG 19 far 0 100 0 - 8.6-11.1 HB2 ARG 30 - HA ARG 19 far 0 94 0 - 8.8-9.4 HG LEU 27 - HA ARG 19 far 0 98 0 - 8.9-9.8 HD2 LYS 66 - HA LYS 68 far 0 95 0 - 9.1-10.3 HB3 GLU 28 - HA ARG 19 far 0 90 0 - 9.7-10.5 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 6 assignments used, quality = 1.00: * HG3 ARG 19 + HA ARG 19 OK 100 100 100 100 2.3-3.0 818=83, 1.8/809=67...(22) HB ILE 56 - HA LYS 68 far 0 100 0 - 5.1-5.5 HB VAL 78 - HA LYS 68 far 0 91 0 - 5.3-6.1 HB ILE 15 - HA ARG 19 far 0 75 0 - 7.2-8.1 HB2 LYS 66 - HA LYS 68 far 0 99 0 - 7.8-8.0 HB2 GLU 28 - HA ARG 19 far 0 94 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 783 from cnoeabs.peaks (3.18, 3.81, 59.98 ppm; 4.65 A): 2 out of 3 assignments used, quality = 1.00: * HD2 ARG 19 + HA ARG 19 OK 100 100 100 100 3.1-4.8 3.0/782=81, 3.0/809=77...(23) HD3 ARG 19 + HA ARG 19 OK 100 100 100 100 3.4-4.6 3.0/782=81, 3.0/809=77...(23) HB2 ASP 77 - HA LYS 68 far 0 72 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 784 from cnoeabs.peaks (3.18, 3.81, 59.98 ppm; 4.65 A): 2 out of 3 assignments used, quality = 1.00: HD2 ARG 19 + HA ARG 19 OK 100 100 100 100 3.1-4.8 3.0/782=81, 3.0/809=77...(23) * HD3 ARG 19 + HA ARG 19 OK 100 100 100 100 3.4-4.6 3.0/782=81, 3.0/809=77...(23) HB2 ASP 77 - HA LYS 68 far 0 72 0 - 9.7-10.4 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 - 5.7-6.1 H LYS 66 - HA LYS 68 far 0 98 0 - 7.1-7.2 HE ARG 30 - HA ARG 19 far 0 100 0 - 8.3-11.6 H GLU 28 - HA ARG 19 far 0 100 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 786 from cnoeabs.peaks (8.81, 3.81, 59.98 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.99: * H ALA 22 + HA ARG 19 OK 99 100 100 99 3.4-3.8 6353/787=56, 6343/3.6=52...(11) H ILE 8 - HA ARG 19 far 0 94 0 - 9.8-10.5 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 = 0.98: * QB ALA 22 + HA ARG 19 OK 95 100 100 95 2.3-2.8 1007=50, 6353/786=32...(17) QB ALA 71 + HA LYS 68 OK 51 84 100 61 2.6-3.2 2.9/12163=19...(9) HG LEU 29 - HA ARG 19 far 0 100 0 - 4.3-4.9 HG2 LYS 20 - HA ARG 19 far 0 90 0 - 5.1-7.0 HG LEU 38 - HA LYS 68 far 0 86 0 - 6.6-7.5 HB2 LEU 27 - HA ARG 19 far 0 90 0 - 7.2-7.9 HG12 ILE 7 - HA ARG 19 far 0 99 0 - 7.6-8.3 HB2 LEU 38 - HA LYS 68 far 0 91 0 - 8.1-9.6 HG3 LYS 39 - HA LYS 68 far 0 99 0 - 9.4-12.7 HG13 ILE 76 - HA LYS 68 far 0 100 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 788 from cnoeabs.peaks (4.04, 1.89, 29.57 ppm; 4.28 A increased from 4.03 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 16 + HB2 ARG 19 OK 99 100 100 99 3.6-4.4 6278/789=63, 8503/3.0=51...(15) HA LYS 20 + HB2 ARG 19 OK 95 100 100 96 3.9-4.4 2.9/797=66, 11086/3.0=34...(8) HA GLU 17 - HB2 ARG 19 far 0 99 0 - 6.5-7.2 HA ARG 46 - HB2 GLU 43 far 0 42 0 - 7.3-7.8 Violated in 0 structures by 0.00 A. Peak 789 from cnoeabs.peaks (8.90, 1.89, 29.57 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 19 + HB2 ARG 19 OK 100 100 100 100 3.5-3.6 6285/1.8=91, 3.9=87...(18) H ASP 77 - HB3 GLU 104 far 0 55 0 - 9.7-22.0 H VAL 5 - HB2 ARG 19 far 0 94 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 790 from cnoeabs.peaks (3.81, 1.89, 29.57 ppm; 3.69 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 19 + HB2 ARG 19 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 SER 102 - HB3 GLU 104 far 0 58 0 - 4.2-9.2 HA ALA 18 - HB2 ARG 19 far 0 70 0 - 6.6-6.6 HA ALA 22 - HB2 ARG 19 far 0 95 0 - 7.2-7.6 HA ALA 71 - HB2 GLU 43 far 0 33 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 791 from cnoeabs.peaks (1.89, 1.89, 29.57 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 ARG 19 + HB2 ARG 19 OK 100 100 - 100 HB2 GLU 43 + HB2 GLU 43 OK 57 57 - 100 HB3 GLU 104 + HB3 GLU 104 OK 46 46 - 100 Peak 792 from cnoeabs.peaks (1.93, 1.89, 29.57 ppm; diagonal): 2 out of 2 assignments used, quality = 0.81: HB2 ARG 19 + HB2 ARG 19 OK 63 63 - 100 HB2 GLU 43 + HB2 GLU 43 OK 49 49 - 100 Reference assignment not found: HB3 ARG 19 - HB2 ARG 19 Peak 793 from cnoeabs.peaks (1.58, 1.89, 29.57 ppm; 3.76 A): 1 out of 10 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 far 0 99 0 - 4.5-5.5 HB2 LEU 103 - HB3 GLU 104 far 0 58 0 - 4.8-7.7 HG LEU 103 - HB3 GLU 104 far 0 58 0 - 5.1-9.0 HG3 LYS 47 - HB2 GLU 43 far 0 32 0 - 5.2-6.2 HD3 LYS 53 - HB3 GLU 104 far 0 35 0 - 6.1-16.7 HB2 ARG 79 - HB3 GLU 104 far 0 53 0 - 7.3-20.9 HG2 LYS 24 - HB2 ARG 19 far 0 100 0 - 8.8-11.8 HG3 LYS 90 - HB2 ARG 19 far 0 100 0 - 9.2-9.8 HB2 ARG 30 - HB2 ARG 19 far 0 94 0 - 9.4-10.5 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 4 assignments used, quality = 1.00: * HG3 ARG 19 + HB2 ARG 19 OK 100 100 100 100 2.7-3.0 3.0=100 HG3 ARG 46 - HB2 GLU 43 far 0 44 0 - 5.5-7.7 HB ILE 15 - HB2 ARG 19 far 0 75 0 - 6.9-7.5 HB2 LYS 39 - HB2 GLU 43 far 0 31 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 795 from cnoeabs.peaks (3.18, 1.89, 29.57 ppm; 3.92 A): 2 out of 5 assignments used, quality = 1.00: HD3 ARG 19 + HB2 ARG 19 OK 100 100 100 100 2.0-3.5 3.6=100 * HD2 ARG 19 + HB2 ARG 19 OK 100 100 100 100 2.0-3.9 3.6=100 HB2 HIS 106 - HB3 GLU 104 far 8 57 15 - 2.9-9.9 HD3 ARG 46 - HB2 GLU 43 far 0 54 0 - 5.1-6.4 HB2 ASP 77 - HB3 GLU 104 far 0 36 0 - 6.6-20.3 Violated in 0 structures by 0.00 A. Peak 796 from cnoeabs.peaks (3.18, 1.89, 29.57 ppm; 3.92 A): 2 out of 5 assignments used, quality = 1.00: * HD3 ARG 19 + HB2 ARG 19 OK 100 100 100 100 2.0-3.5 3.6=100 HD2 ARG 19 + HB2 ARG 19 OK 100 100 100 100 2.0-3.9 3.6=100 HB2 HIS 106 - HB3 GLU 104 far 8 57 15 - 2.9-9.9 HD3 ARG 46 - HB2 GLU 43 far 0 54 0 - 5.1-6.4 HB2 ASP 77 - HB3 GLU 104 far 0 36 0 - 6.6-20.3 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 2.9-3.7 4.1=98, 6291/789=63...(16) H TYR 41 - HB2 GLU 43 far 0 39 0 - 6.8-7.2 HE ARG 30 - HB2 ARG 19 far 0 100 0 - 8.4-12.2 H VAL 78 - HB3 GLU 104 far 0 29 0 - 8.4-23.5 H GLU 99 - HB3 GLU 104 far 0 58 0 - 9.0-16.6 Violated in 0 structures by 0.00 A. Peak 798 from cnoeabs.peaks (4.04, 1.93, 29.57 ppm; 3.74 A): 1 out of 4 assignments used, quality = 0.97: * HA GLU 16 + HB3 ARG 19 OK 97 100 100 97 2.1-2.8 6278/6286=58, 847=42...(14) HA LYS 20 - HB3 ARG 19 far 0 100 0 - 4.1-4.6 HA GLU 17 - HB3 ARG 19 far 0 99 0 - 5.0-5.7 HA ARG 46 - HB2 GLU 43 far 0 31 0 - 7.3-7.8 Violated in 0 structures by 0.00 A. Peak 799 from cnoeabs.peaks (8.90, 1.93, 29.57 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 19 + HB3 ARG 19 OK 100 100 100 100 2.2-2.6 6286=100, 6288/3.0=59...(17) 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 3.0-3.0 3.0=100 HA ALA 18 - HB3 ARG 19 far 0 70 0 - 5.7-5.9 HA ALA 22 - HB3 ARG 19 far 0 95 0 - 7.8-8.2 HA ALA 71 - HB2 GLU 43 far 0 25 0 - 9.7-10.4 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): 1 out of 6 assignments used, quality = 1.00: * HG2 ARG 19 + HB3 ARG 19 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 47 - HB2 GLU 43 far 0 24 0 - 5.2-6.2 HB3 LEU 29 - HB3 ARG 19 far 0 99 0 - 5.6-6.5 HG3 LYS 90 - HB3 ARG 19 far 0 100 0 - 8.0-8.7 HG2 LYS 24 - HB3 ARG 19 far 0 100 0 - 8.8-12.3 HG3 LYS 12 - HB3 ARG 19 far 0 99 0 - 9.4-10.6 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 4 assignments used, quality = 1.00: * HG3 ARG 19 + HB3 ARG 19 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 46 - HB2 GLU 43 far 0 33 0 - 5.5-7.7 HB ILE 15 - HB3 ARG 19 far 0 75 0 - 5.7-6.3 HB2 LYS 39 - HB2 GLU 43 far 0 23 0 - 7.9-8.9 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 2.1-4.0 3.6=100 * HD2 ARG 19 + HB3 ARG 19 OK 100 100 100 100 2.7-4.0 3.6=100 HD3 ARG 46 - HB2 GLU 43 far 0 41 0 - 5.1-6.4 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 2.1-4.0 3.6=100 HD2 ARG 19 + HB3 ARG 19 OK 100 100 100 100 2.7-4.0 3.6=100 HD3 ARG 46 - HB2 GLU 43 far 0 41 0 - 5.1-6.4 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 3 assignments used, quality = 1.00: * H LYS 20 + HB3 ARG 19 OK 100 100 100 100 2.2-2.9 4.1=100 H TYR 41 - HB2 GLU 43 far 0 29 0 - 6.8-7.2 HE ARG 30 - HB3 ARG 19 far 0 100 0 - 9.5-13.4 Violated in 0 structures by 0.00 A. Peak 808 from cnoeabs.peaks (8.90, 1.58, 27.71 ppm; 4.31 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 19 + HG2 ARG 19 OK 100 100 100 100 2.3-4.1 6287=100, 6288/1.8=92...(22) H VAL 5 - HG2 ARG 19 far 0 94 0 - 8.6-11.1 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 5 assignments used, quality = 1.00: * HA ARG 19 + HG2 ARG 19 OK 100 100 100 100 2.4-3.6 4.0=91, 782/1.8=81...(23) HA ALA 18 - HG2 ARG 19 far 0 70 0 - 5.8-7.1 HA ALA 22 - HG2 ARG 19 far 0 95 0 - 7.7-9.2 HA LYS 68 - HD2 LYS 66 far 0 86 0 - 9.1-10.3 HA ALA 71 - HD2 LYS 66 far 0 50 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 810 from cnoeabs.peaks (1.89, 1.58, 27.71 ppm; 3.42 A): 3 out of 12 assignments used, quality = 1.00: * HB2 ARG 19 + HG2 ARG 19 OK 100 100 100 100 2.3-3.0 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 21 59 35 100 3.7-4.2 3.6=84, ~2943=44...(38) HB2 LYS 20 - HG2 ARG 19 far 0 100 0 - 6.4-8.4 HB VAL 5 - HG2 ARG 19 far 0 75 0 - 7.0-9.2 HB2 LYS 12 - HG2 ARG 19 far 0 81 0 - 7.1-9.8 HB3 LYS 39 - HD2 LYS 66 far 0 60 0 - 7.3-12.5 HB3 LEU 14 - HG2 ARG 19 far 0 99 0 - 8.1-10.6 HB3 LYS 12 - HG2 ARG 19 far 0 84 0 - 8.6-11.4 HB3 LYS 13 - HG2 ARG 19 far 0 90 0 - 9.3-12.6 HB2 LYS 13 - HG2 ARG 19 far 0 87 0 - 9.5-12.8 HB3 LYS 68 - HD2 LYS 66 far 0 74 0 - 9.6-10.4 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 9 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 0 100 0 - 6.2-8.0 HB2 GLU 17 - HG2 ARG 19 far 0 98 0 - 7.6-9.8 HB3 LEU 14 - HG2 ARG 19 far 0 82 0 - 8.1-10.6 HB2 LYS 73 - HD2 LYS 66 far 0 64 0 - 8.5-10.9 HB3 LYS 13 - HG2 ARG 19 far 0 96 0 - 9.3-12.6 HB3 LYS 73 - HD2 LYS 66 far 0 65 0 - 9.4-11.8 HB2 LYS 13 - HG2 ARG 19 far 0 98 0 - 9.5-12.8 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 6 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 38 86 45 97 2.4-3.7 3.6=45, 2943/1.8=43...(36) HB ILE 15 - HG2 ARG 19 far 0 75 0 - 4.1-7.0 HB2 LYS 39 - HD2 LYS 66 far 0 47 0 - 8.0-12.3 HB3 GLU 63 - HD2 LYS 66 far 0 77 0 - 8.8-9.7 HB2 GLU 28 - HG2 ARG 19 far 0 94 0 - 9.2-12.2 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 2.2-3.0 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 2.2-3.0 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 4.0-5.1 4.9=95, 6303/1.8=79...(14) H LYS 66 + HD2 LYS 66 OK 84 84 100 100 4.2-4.8 7074/1.8=95, 7073=92...(32) HE ARG 30 - HG2 ARG 19 far 0 100 0 - 7.2-12.3 H SER 9 - HG2 ARG 19 far 0 93 0 - 8.8-10.5 H GLU 28 - HG2 ARG 19 far 0 100 0 - 10.0-12.9 Violated in 0 structures by 0.00 A. Peak 817 from cnoeabs.peaks (8.90, 1.76, 27.71 ppm; 4.33 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 19 + HG3 ARG 19 OK 100 100 100 100 2.3-2.9 6288=100, 6285/3.0=86...(21) H VAL 5 - HG3 ARG 19 far 0 94 0 - 8.5-10.4 H LEU 57 - HG3 ARG 19 far 0 79 0 - 9.7-10.9 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 2.3-3.0 782=100, 809/1.8=75...(22) HA ALA 18 - HG3 ARG 19 far 0 70 0 - 5.4-5.8 HA ALA 22 - HG3 ARG 19 far 0 95 0 - 7.6-8.4 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 8 assignments used, quality = 1.00: * HB2 ARG 19 + HG3 ARG 19 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 ARG 19 + HG3 ARG 19 OK 63 63 100 100 2.4-3.0 3.0=100 HB VAL 5 - HG3 ARG 19 far 0 75 0 - 6.6-8.4 HB2 LYS 20 - HG3 ARG 19 far 0 100 0 - 7.0-8.1 HB2 LYS 12 - HG3 ARG 19 far 0 81 0 - 8.2-9.3 HB3 LEU 14 - HG3 ARG 19 far 0 99 0 - 8.3-9.3 HB3 LYS 12 - HG3 ARG 19 far 0 84 0 - 9.6-10.8 HB3 LYS 13 - HG3 ARG 19 far 0 90 0 - 10.0-11.5 Violated in 0 structures by 0.00 A. Peak 820 from cnoeabs.peaks (1.93, 1.76, 27.71 ppm; 3.34 A): 2 out of 7 assignments used, quality = 1.00: * HB3 ARG 19 + HG3 ARG 19 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ARG 19 + HG3 ARG 19 OK 63 63 100 100 2.7-3.0 3.0=100 HB3 LYS 20 - HG3 ARG 19 far 0 100 0 - 6.7-8.1 HB2 GLU 17 - HG3 ARG 19 far 0 98 0 - 7.8-8.5 HB3 LEU 14 - HG3 ARG 19 far 0 82 0 - 8.3-9.3 HB VAL 32 - HG3 ARG 19 far 0 99 0 - 9.9-11.2 HB3 LYS 13 - HG3 ARG 19 far 0 96 0 - 10.0-11.5 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 5 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 - 4.1-5.6 HB2 ARG 30 - HG3 ARG 19 far 0 94 0 - 7.7-9.2 HG3 LYS 90 - HG3 ARG 19 far 0 100 0 - 9.0-9.6 HG3 LYS 12 - HG3 ARG 19 far 0 99 0 - 9.6-11.0 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 2.2-3.0 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 2.2-3.0 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 4.3-4.6 4.9=100 HE ARG 30 - HG3 ARG 19 far 0 100 0 - 7.2-11.2 H SER 9 - HG3 ARG 19 far 0 93 0 - 8.8-9.2 Violated in 0 structures by 0.00 A. Peak 826 from cnoeabs.peaks (8.90, 3.18, 43.16 ppm; 5.07 A increased from 4.50 A): 2 out of 4 assignments used, quality = 1.00: H ARG 19 + HD3 ARG 19 OK 100 100 100 100 3.3-4.9 6285/3.6=91, 6288/3.0=90...(21) * H ARG 19 + HD2 ARG 19 OK 100 100 100 100 3.4-4.9 6285/3.6=91, 6288/3.0=90...(22) H VAL 5 - HD2 ARG 19 far 0 94 0 - 8.6-11.4 H VAL 5 - HD3 ARG 19 far 0 94 0 - 8.6-12.4 Violated in 0 structures by 0.00 A. Peak 827 from cnoeabs.peaks (3.81, 3.18, 43.16 ppm; 4.70 A increased from 4.42 A): 2 out of 6 assignments used, quality = 1.00: * HA ARG 19 + HD2 ARG 19 OK 100 100 100 100 3.1-4.8 782/3.0=82, 809/3.0=78...(23) HA ARG 19 + HD3 ARG 19 OK 100 100 100 100 3.4-4.6 782/3.0=82, 809/3.0=78...(23) HA ALA 18 - HD2 ARG 19 far 0 70 0 - 6.8-8.1 HA ALA 18 - HD3 ARG 19 far 0 70 0 - 6.8-8.2 HA ALA 22 - HD2 ARG 19 far 0 95 0 - 8.1-10.2 HA ALA 22 - HD3 ARG 19 far 0 95 0 - 8.5-10.2 Violated in 0 structures by 0.00 A. Peak 828 from cnoeabs.peaks (1.89, 3.18, 43.16 ppm; 3.70 A increased from 3.28 A): 4 out of 18 assignments used, quality = 1.00: HB2 ARG 19 + HD3 ARG 19 OK 100 100 100 100 2.0-3.5 3.6=100 * HB2 ARG 19 + HD2 ARG 19 OK 100 100 100 100 2.0-3.9 3.6=100 HB3 ARG 19 + HD3 ARG 19 OK 63 63 100 100 2.1-4.0 3.6=100 HB3 ARG 19 + HD2 ARG 19 OK 54 63 85 100 2.7-4.0 3.6=100 HB2 LYS 12 - HD3 ARG 19 far 0 81 0 - 6.5-9.7 HB2 LYS 12 - HD2 ARG 19 far 0 81 0 - 6.6-10.1 HB2 LYS 20 - HD2 ARG 19 far 0 100 0 - 6.6-9.6 HB2 LYS 20 - HD3 ARG 19 far 0 100 0 - 6.7-9.5 HB VAL 5 - HD2 ARG 19 far 0 75 0 - 7.2-9.8 HB VAL 5 - HD3 ARG 19 far 0 75 0 - 7.6-10.6 HB3 LYS 12 - HD2 ARG 19 far 0 84 0 - 8.0-11.4 HB3 LYS 12 - HD3 ARG 19 far 0 84 0 - 8.0-11.2 HB3 LEU 14 - HD2 ARG 19 far 0 99 0 - 8.1-11.0 HB3 LEU 14 - HD3 ARG 19 far 0 99 0 - 8.1-11.3 HB3 LYS 13 - HD2 ARG 19 far 0 90 0 - 9.3-13.0 HB2 LYS 13 - HD2 ARG 19 far 0 87 0 - 9.3-13.0 HB3 LYS 13 - HD3 ARG 19 far 0 90 0 - 9.6-13.1 HB2 LYS 13 - HD3 ARG 19 far 0 87 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 829 from cnoeabs.peaks (1.93, 3.18, 43.16 ppm; 3.56 A increased from 3.35 A): 4 out of 15 assignments used, quality = 0.99: * HB3 ARG 19 + HD2 ARG 19 OK 80 100 80 100 2.7-4.0 3.6=97, ~782=20, ~818=19...(16) HB3 ARG 19 + HD3 ARG 19 OK 75 100 75 100 2.1-4.0 3.6=97, ~782=20, ~818=19...(16) HB2 ARG 19 + HD3 ARG 19 OK 63 63 100 100 2.0-3.5 3.6=97, ~782=20, ~818=19...(16) HB2 ARG 19 + HD2 ARG 19 OK 57 63 90 100 2.0-3.9 3.6=97, ~782=20, ~818=19...(16) HB3 LYS 20 - HD3 ARG 19 far 0 100 0 - 6.9-9.5 HB3 LYS 20 - HD2 ARG 19 far 0 100 0 - 7.3-9.3 HB2 GLU 17 - HD2 ARG 19 far 0 98 0 - 8.1-10.5 HB3 LEU 14 - HD2 ARG 19 far 0 82 0 - 8.1-11.0 HB3 LEU 14 - HD3 ARG 19 far 0 82 0 - 8.1-11.3 HB2 GLU 17 - HD3 ARG 19 far 0 98 0 - 8.1-10.6 HB3 LYS 13 - HD2 ARG 19 far 0 96 0 - 9.3-13.0 HB2 LYS 13 - HD2 ARG 19 far 0 98 0 - 9.3-13.0 HB3 LYS 13 - HD3 ARG 19 far 0 96 0 - 9.6-13.1 HB2 LYS 13 - HD3 ARG 19 far 0 98 0 - 9.6-13.0 HB VAL 32 - HD2 ARG 19 far 0 99 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 830 from cnoeabs.peaks (1.58, 3.18, 43.16 ppm; 3.14 A): 2 out of 12 assignments used, quality = 1.00: * HG2 ARG 19 + HD2 ARG 19 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 19 + HD3 ARG 19 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 29 - HD2 ARG 19 far 0 99 0 - 3.8-6.9 HB3 LEU 29 - HD3 ARG 19 far 0 99 0 - 4.4-7.3 HB2 ARG 30 - HD3 ARG 19 far 0 94 0 - 6.9-10.4 HB2 ARG 30 - HD2 ARG 19 far 0 94 0 - 7.2-9.8 HG3 LYS 12 - HD3 ARG 19 far 0 99 0 - 7.6-10.4 HG3 LYS 12 - HD2 ARG 19 far 0 99 0 - 8.0-10.8 HG2 LYS 33 - HD2 ARG 19 far 0 63 0 - 9.8-11.7 HG2 LYS 33 - HD3 ARG 19 far 0 63 0 - 9.8-11.9 HG3 LYS 90 - HD3 ARG 19 far 0 100 0 - 9.8-11.8 HG3 LYS 90 - HD2 ARG 19 far 0 100 0 - 10.0-11.6 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 2.2-3.0 3.0=100 HB ILE 15 - HD2 ARG 19 far 0 75 0 - 3.7-6.9 HB ILE 15 - HD3 ARG 19 far 0 75 0 - 3.9-7.0 HB2 GLU 28 - HD2 ARG 19 far 0 94 0 - 8.9-12.5 HB2 GLU 28 - HD3 ARG 19 far 0 94 0 - 9.3-12.7 HD2 LYS 33 - HD3 ARG 19 far 0 65 0 - 9.4-12.7 HD3 LYS 33 - HD2 ARG 19 far 0 65 0 - 9.5-12.3 HD2 LYS 33 - HD2 ARG 19 far 0 65 0 - 9.6-12.5 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; 6.36 A increased from 5.09 A): 2 out of 6 assignments used, quality = 1.00: H LYS 20 + HD3 ARG 19 OK 100 100 100 100 4.4-6.2 797/3.6=96, 6303/3.0=94...(14) * H LYS 20 + HD2 ARG 19 OK 100 100 100 100 4.9-6.5 797/3.6=96, 6303/3.0=94...(13) HE ARG 30 - HD3 ARG 19 far 5 100 5 - 5.7-11.5 HE ARG 30 - HD2 ARG 19 far 0 100 0 - 7.0-10.8 H SER 9 - HD2 ARG 19 far 0 93 0 - 8.3-10.8 H SER 9 - HD3 ARG 19 far 0 93 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 835 from cnoeabs.peaks (8.90, 3.18, 43.16 ppm; 5.07 A increased from 4.50 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 19 + HD3 ARG 19 OK 100 100 100 100 3.3-4.9 6285/3.6=91, 6288/3.0=90...(21) H ARG 19 + HD2 ARG 19 OK 100 100 100 100 3.4-4.9 6285/3.6=91, 6288/3.0=90...(22) H VAL 5 - HD2 ARG 19 far 0 94 0 - 8.6-11.4 H VAL 5 - HD3 ARG 19 far 0 94 0 - 8.6-12.4 Violated in 0 structures by 0.00 A. Peak 836 from cnoeabs.peaks (3.81, 3.18, 43.16 ppm; 4.70 A increased from 4.42 A): 2 out of 6 assignments used, quality = 1.00: HA ARG 19 + HD2 ARG 19 OK 100 100 100 100 3.1-4.8 782/3.0=82, 809/3.0=78...(23) * HA ARG 19 + HD3 ARG 19 OK 100 100 100 100 3.4-4.6 782/3.0=82, 809/3.0=78...(23) HA ALA 18 - HD2 ARG 19 far 0 70 0 - 6.8-8.1 HA ALA 18 - HD3 ARG 19 far 0 70 0 - 6.8-8.2 HA ALA 22 - HD2 ARG 19 far 0 95 0 - 8.1-10.2 HA ALA 22 - HD3 ARG 19 far 0 95 0 - 8.5-10.2 Violated in 0 structures by 0.00 A. Peak 837 from cnoeabs.peaks (1.89, 3.18, 43.16 ppm; 3.70 A increased from 3.28 A): 4 out of 18 assignments used, quality = 1.00: * HB2 ARG 19 + HD3 ARG 19 OK 100 100 100 100 2.0-3.5 3.6=100 HB2 ARG 19 + HD2 ARG 19 OK 100 100 100 100 2.0-3.9 3.6=100 HB3 ARG 19 + HD3 ARG 19 OK 63 63 100 100 2.1-4.0 3.6=100 HB3 ARG 19 + HD2 ARG 19 OK 54 63 85 100 2.7-4.0 3.6=100 HB2 LYS 12 - HD3 ARG 19 far 0 81 0 - 6.5-9.7 HB2 LYS 12 - HD2 ARG 19 far 0 81 0 - 6.6-10.1 HB2 LYS 20 - HD2 ARG 19 far 0 100 0 - 6.6-9.6 HB2 LYS 20 - HD3 ARG 19 far 0 100 0 - 6.7-9.5 HB VAL 5 - HD2 ARG 19 far 0 75 0 - 7.2-9.8 HB VAL 5 - HD3 ARG 19 far 0 75 0 - 7.6-10.6 HB3 LYS 12 - HD2 ARG 19 far 0 84 0 - 8.0-11.4 HB3 LYS 12 - HD3 ARG 19 far 0 84 0 - 8.0-11.2 HB3 LEU 14 - HD2 ARG 19 far 0 99 0 - 8.1-11.0 HB3 LEU 14 - HD3 ARG 19 far 0 99 0 - 8.1-11.3 HB3 LYS 13 - HD2 ARG 19 far 0 90 0 - 9.3-13.0 HB2 LYS 13 - HD2 ARG 19 far 0 87 0 - 9.3-13.0 HB3 LYS 13 - HD3 ARG 19 far 0 90 0 - 9.6-13.1 HB2 LYS 13 - HD3 ARG 19 far 0 87 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 838 from cnoeabs.peaks (1.93, 3.18, 43.16 ppm; 3.56 A increased from 3.35 A): 4 out of 15 assignments used, quality = 0.99: HB3 ARG 19 + HD2 ARG 19 OK 80 100 80 100 2.7-4.0 3.6=97, ~782=20, ~818=19...(16) * HB3 ARG 19 + HD3 ARG 19 OK 75 100 75 100 2.1-4.0 3.6=97, ~782=20, ~818=19...(16) HB2 ARG 19 + HD3 ARG 19 OK 63 63 100 100 2.0-3.5 3.6=97, ~782=20, ~818=19...(16) HB2 ARG 19 + HD2 ARG 19 OK 57 63 90 100 2.0-3.9 3.6=97, ~782=20, ~818=19...(16) HB3 LYS 20 - HD3 ARG 19 far 0 100 0 - 6.9-9.5 HB3 LYS 20 - HD2 ARG 19 far 0 100 0 - 7.3-9.3 HB2 GLU 17 - HD2 ARG 19 far 0 98 0 - 8.1-10.5 HB3 LEU 14 - HD2 ARG 19 far 0 82 0 - 8.1-11.0 HB3 LEU 14 - HD3 ARG 19 far 0 82 0 - 8.1-11.3 HB2 GLU 17 - HD3 ARG 19 far 0 98 0 - 8.1-10.6 HB3 LYS 13 - HD2 ARG 19 far 0 96 0 - 9.3-13.0 HB2 LYS 13 - HD2 ARG 19 far 0 98 0 - 9.3-13.0 HB3 LYS 13 - HD3 ARG 19 far 0 96 0 - 9.6-13.1 HB2 LYS 13 - HD3 ARG 19 far 0 98 0 - 9.6-13.0 HB VAL 32 - HD2 ARG 19 far 0 99 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 839 from cnoeabs.peaks (1.58, 3.18, 43.16 ppm; 3.14 A): 2 out of 12 assignments used, quality = 1.00: HG2 ARG 19 + HD2 ARG 19 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 ARG 19 + HD3 ARG 19 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 29 - HD2 ARG 19 far 0 99 0 - 3.8-6.9 HB3 LEU 29 - HD3 ARG 19 far 0 99 0 - 4.4-7.3 HB2 ARG 30 - HD3 ARG 19 far 0 94 0 - 6.9-10.4 HB2 ARG 30 - HD2 ARG 19 far 0 94 0 - 7.2-9.8 HG3 LYS 12 - HD3 ARG 19 far 0 99 0 - 7.6-10.4 HG3 LYS 12 - HD2 ARG 19 far 0 99 0 - 8.0-10.8 HG2 LYS 33 - HD2 ARG 19 far 0 63 0 - 9.8-11.7 HG2 LYS 33 - HD3 ARG 19 far 0 63 0 - 9.8-11.9 HG3 LYS 90 - HD3 ARG 19 far 0 100 0 - 9.8-11.8 HG3 LYS 90 - HD2 ARG 19 far 0 100 0 - 10.0-11.6 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 2.2-3.0 3.0=100 HB ILE 15 - HD2 ARG 19 far 0 75 0 - 3.7-6.9 HB ILE 15 - HD3 ARG 19 far 0 75 0 - 3.9-7.0 HB2 GLU 28 - HD2 ARG 19 far 0 94 0 - 8.9-12.5 HB2 GLU 28 - HD3 ARG 19 far 0 94 0 - 9.3-12.7 HD2 LYS 33 - HD3 ARG 19 far 0 65 0 - 9.4-12.7 HD3 LYS 33 - HD2 ARG 19 far 0 65 0 - 9.5-12.3 HD2 LYS 33 - HD2 ARG 19 far 0 65 0 - 9.6-12.5 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; 6.36 A increased from 5.09 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 20 + HD3 ARG 19 OK 100 100 100 100 4.4-6.2 797/3.6=96, 6303/3.0=94...(14) H LYS 20 + HD2 ARG 19 OK 100 100 100 100 4.9-6.5 797/3.6=96, 6303/3.0=94...(13) HE ARG 30 - HD3 ARG 19 far 5 100 5 - 5.7-11.5 HE ARG 30 - HD2 ARG 19 far 0 100 0 - 7.0-10.8 H SER 9 - HD2 ARG 19 far 0 93 0 - 8.3-10.8 H SER 9 - HD3 ARG 19 far 0 93 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 844 from cnoeabs.peaks (7.79, 4.05, 59.30 ppm; 3.35 A): 2 out of 3 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 40 81 55 90 3.2-4.8 6291/6280=44, 4.1/798=33...(14) H GLU 99 - HA GLU 95 far 3 59 5 - 3.5-4.4 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): 1 out of 10 assignments used, quality = 1.00: * HB2 LYS 20 + HA LYS 20 OK 100 100 100 100 2.3-2.6 3.0=100 HB2 ARG 19 - HA GLU 16 far 0 80 0 - 3.6-4.4 HB2 ARG 19 - HA LYS 20 far 0 100 0 - 3.9-4.4 HB2 LYS 94 - HA GLU 95 far 0 35 0 - 4.4-5.5 HB2 LYS 20 - HA GLU 16 far 0 81 0 - 5.0-7.3 HB2 LYS 12 - HA GLU 16 far 0 62 0 - 5.7-6.3 HB3 LYS 12 - HA GLU 16 far 0 65 0 - 7.3-7.8 HB3 LYS 13 - HA GLU 16 far 0 62 0 - 7.5-8.1 HB3 LEU 14 - HA GLU 16 far 0 76 0 - 7.7-7.9 HB2 LYS 13 - HA GLU 16 far 0 60 0 - 7.9-8.5 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 12 assignments used, quality = 1.00: * HB3 LYS 20 + HA LYS 20 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 ARG 19 + HA GLU 16 OK 75 80 100 94 2.1-2.8 798=59, 6286/6280=41...(14) HB3 ARG 19 - HA LYS 20 far 0 100 0 - 4.1-4.6 HB2 LYS 94 - HA GLU 95 far 0 55 0 - 4.4-5.5 HB3 LYS 20 - HA GLU 16 far 0 81 0 - 5.0-7.0 HB2 LYS 24 - HA LYS 20 far 0 81 0 - 5.1-6.4 HB3 LYS 24 - HA LYS 20 far 0 81 0 - 6.0-7.7 HB2 GLU 17 - HA GLU 16 far 0 79 0 - 6.5-6.6 HB2 GLU 17 - HA LYS 20 far 0 100 0 - 7.2-8.4 HB3 LYS 13 - HA GLU 16 far 0 69 0 - 7.5-8.1 HB3 LEU 14 - HA GLU 16 far 0 52 0 - 7.7-7.9 HB2 LYS 13 - HA GLU 16 far 0 71 0 - 7.9-8.5 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 13 assignments used, quality = 1.00: * HG2 LYS 20 + HA LYS 20 OK 100 100 100 100 2.3-3.6 883=85, 6309/2.9=48...(62) HG2 LYS 20 - HA GLU 16 far 0 81 0 - 4.6-5.5 QB ALA 22 - HA LYS 20 far 0 90 0 - 4.7-5.3 HG3 ARG 91 - HA GLU 95 far 0 58 0 - 5.3-6.6 HG2 LYS 12 - HA GLU 16 far 0 76 0 - 6.2-8.3 QB ALA 22 - HA GLU 16 far 0 66 0 - 6.7-7.2 HB2 ARG 91 - HA GLU 95 far 0 39 0 - 7.5-8.3 HG2 LYS 13 - HA GLU 16 far 0 60 0 - 7.9-9.8 HG LEU 29 - HA GLU 16 far 0 66 0 - 8.2-9.1 HG12 ILE 7 - HA GLU 16 far 0 50 0 - 8.8-9.2 HG LEU 29 - HA LYS 20 far 0 90 0 - 9.1-9.5 HB2 LEU 27 - HA LYS 20 far 0 100 0 - 9.2-10.0 QB ALA 22 - HA GLU 95 far 0 47 0 - 9.9-10.8 Violated in 4 structures by 0.04 A. Peak 849 from cnoeabs.peaks (1.67, 4.05, 59.30 ppm; 3.99 A increased from 3.36 A): 3 out of 19 assignments used, quality = 1.00: * HG3 LYS 20 + HA LYS 20 OK 100 100 100 100 2.6-4.0 3.7=100 HD2 LYS 20 + HA GLU 16 OK 58 80 80 90 3.3-4.6 12058/3.0=63, 916=38...(14) HG3 LYS 20 + HA GLU 16 OK 51 81 75 84 3.2-6.7 894=29, ~12058=28...(11) HD2 LYS 24 - HA LYS 20 poor 18 91 20 - 4.0-7.9 HD3 LYS 20 - HA GLU 16 poor 16 81 20 - 3.1-5.8 HD3 LYS 20 - HA LYS 20 far 10 100 10 - 2.4-5.5 HD2 LYS 20 - HA LYS 20 far 10 100 10 - 3.9-4.9 HD3 LYS 24 - HA LYS 20 far 9 90 10 - 3.6-9.0 HD3 LYS 12 - HA GLU 16 far 0 61 0 - 5.1-9.3 HD2 LYS 12 - HA GLU 16 far 0 61 0 - 5.9-8.7 HG12 ILE 15 - HA GLU 16 far 0 70 0 - 6.4-6.6 HD3 LYS 13 - HA GLU 16 far 0 58 0 - 6.6-10.3 HD2 LYS 13 - HA GLU 16 far 0 61 0 - 7.3-10.6 HB3 ARG 91 - HA GLU 95 far 0 57 0 - 7.6-8.3 HD3 LYS 90 - HA GLU 16 far 0 66 0 - 8.4-10.8 HD3 LYS 90 - HA LYS 20 far 0 90 0 - 8.8-10.3 HG2 PRO 86 - HA GLU 16 far 0 71 0 - 9.4-10.3 HD3 LYS 24 - HA GLU 16 far 0 66 0 - 9.5-14.0 HD2 LYS 24 - HA GLU 16 far 0 68 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 850 from cnoeabs.peaks (1.68, 4.05, 59.30 ppm; 3.99 A increased from 3.36 A): 3 out of 19 assignments used, quality = 1.00: HG3 LYS 20 + HA LYS 20 OK 100 100 100 100 2.6-4.0 3.7=100 HD2 LYS 20 + HA GLU 16 OK 58 81 80 90 3.3-4.6 12058/3.0=64, 916=38...(15) HG3 LYS 20 + HA GLU 16 OK 51 80 75 84 3.2-6.7 894=29, ~12058=28...(11) HD2 LYS 24 - HA LYS 20 poor 19 94 20 - 4.0-7.9 HD3 LYS 20 - HA GLU 16 poor 16 80 20 - 3.1-5.8 HD3 LYS 20 - HA LYS 20 far 10 100 10 - 2.4-5.5 ! HD2 LYS 20 - HA LYS 20 far 10 100 10 - 3.9-4.9 HD3 LYS 24 - HA LYS 20 far 9 93 10 - 3.6-9.0 HD3 LYS 12 - HA GLU 16 far 0 65 0 - 5.1-9.3 HD2 LYS 12 - HA GLU 16 far 0 65 0 - 5.9-8.7 HG12 ILE 15 - HA GLU 16 far 0 73 0 - 6.4-6.6 HD3 LYS 13 - HA GLU 16 far 0 62 0 - 6.6-10.3 HD2 LYS 13 - HA GLU 16 far 0 65 0 - 7.3-10.6 HB3 ARG 91 - HA GLU 95 far 0 58 0 - 7.6-8.3 HD3 LYS 90 - HA GLU 16 far 0 70 0 - 8.4-10.8 HD3 LYS 90 - HA LYS 20 far 0 93 0 - 8.8-10.3 HG2 PRO 86 - HA GLU 16 far 0 74 0 - 9.4-10.3 HD3 LYS 24 - HA GLU 16 far 0 70 0 - 9.5-14.0 HD2 LYS 24 - HA GLU 16 far 0 71 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 851 from cnoeabs.peaks (1.67, 4.05, 59.30 ppm; 3.99 A increased from 3.36 A): 3 out of 19 assignments used, quality = 1.00: HG3 LYS 20 + HA LYS 20 OK 100 100 100 100 2.6-4.0 3.7=100 HD2 LYS 20 + HA GLU 16 OK 58 80 80 90 3.3-4.6 12058/3.0=63, 916=38...(14) HG3 LYS 20 + HA GLU 16 OK 51 81 75 84 3.2-6.7 894=29, ~12058=28...(11) HD2 LYS 24 - HA LYS 20 poor 18 91 20 - 4.0-7.9 HD3 LYS 20 - HA GLU 16 poor 16 81 20 - 3.1-5.8 ! HD3 LYS 20 - HA LYS 20 far 10 100 10 - 2.4-5.5 HD2 LYS 20 - HA LYS 20 far 10 100 10 - 3.9-4.9 HD3 LYS 24 - HA LYS 20 far 9 90 10 - 3.6-9.0 HD3 LYS 12 - HA GLU 16 far 0 61 0 - 5.1-9.3 HD2 LYS 12 - HA GLU 16 far 0 61 0 - 5.9-8.7 HG12 ILE 15 - HA GLU 16 far 0 70 0 - 6.4-6.6 HD3 LYS 13 - HA GLU 16 far 0 58 0 - 6.6-10.3 HD2 LYS 13 - HA GLU 16 far 0 61 0 - 7.3-10.6 HB3 ARG 91 - HA GLU 95 far 0 57 0 - 7.6-8.3 HD3 LYS 90 - HA GLU 16 far 0 66 0 - 8.4-10.8 HD3 LYS 90 - HA LYS 20 far 0 90 0 - 8.8-10.3 HG2 PRO 86 - HA GLU 16 far 0 71 0 - 9.4-10.3 HD3 LYS 24 - HA GLU 16 far 0 66 0 - 9.5-14.0 HD2 LYS 24 - HA GLU 16 far 0 68 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 852 from cnoeabs.peaks (2.91, 4.05, 59.30 ppm; 5.38 A increased from 4.78 A): 6 out of 11 assignments used, quality = 0.98: * HE2 LYS 20 + HA LYS 20 OK 85 100 85 100 4.2-6.1 3.6/848=91, 6.3=61...(86) HE3 LYS 20 + HA LYS 20 OK 65 100 65 100 2.7-6.2 3.6/848=91, 6.3=61...(87) HE3 LYS 20 + HA GLU 16 OK 31 81 40 95 4.6-7.5 ~12058=54, 3.0/916=35...(13) HE2 LYS 20 + HA GLU 16 OK 27 81 35 95 3.2-6.7 ~12058=54, 3.0/916=35...(13) HE2 LYS 94 + HA GLU 95 OK 24 57 55 76 4.3-6.8 ~7534=24, 7.3/11006=23...(6) HE3 LYS 94 + HA GLU 95 OK 22 59 50 76 4.8-6.8 ~7534=24, 7.3/11006=23...(6) HG2 MET 21 - HA LYS 20 far 0 81 0 - 6.9-7.6 HE3 LYS 90 - HA GLU 16 far 0 64 0 - 8.0-10.1 HE3 LYS 90 - HA LYS 20 far 0 87 0 - 8.1-9.3 HG2 MET 21 - HA GLU 16 far 0 58 0 - 8.6-10.8 HG2 MET 21 - HA GLU 95 far 0 41 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 853 from cnoeabs.peaks (2.91, 4.05, 59.30 ppm; 5.38 A increased from 4.78 A): 6 out of 11 assignments used, quality = 0.98: HE2 LYS 20 + HA LYS 20 OK 85 100 85 100 4.2-6.1 3.6/848=91, 6.3=61...(86) * HE3 LYS 20 + HA LYS 20 OK 65 100 65 100 2.7-6.2 3.6/848=91, 6.3=61...(87) HE3 LYS 20 + HA GLU 16 OK 31 81 40 95 4.6-7.5 ~12058=54, 3.0/916=35...(13) HE2 LYS 20 + HA GLU 16 OK 27 81 35 95 3.2-6.7 ~12058=54, 3.0/916=35...(13) HE2 LYS 94 + HA GLU 95 OK 24 57 55 76 4.3-6.8 ~7534=24, 7.3/11006=23...(6) HE3 LYS 94 + HA GLU 95 OK 22 59 50 76 4.8-6.8 ~7534=24, 7.3/11006=23...(6) HG2 MET 21 - HA LYS 20 far 0 82 0 - 6.9-7.6 HE3 LYS 90 - HA GLU 16 far 0 65 0 - 8.0-10.1 HE3 LYS 90 - HA LYS 20 far 0 88 0 - 8.1-9.3 HG2 MET 21 - HA GLU 16 far 0 60 0 - 8.6-10.8 HG2 MET 21 - HA GLU 95 far 0 42 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 854 from cnoeabs.peaks (7.68, 4.05, 59.30 ppm; 3.99 A): 2 out of 4 assignments used, quality = 1.00: * H MET 21 + HA LYS 20 OK 100 100 100 100 3.5-3.6 3.6=100 H GLU 98 + HA GLU 95 OK 31 39 100 78 3.5-4.0 4.0/4368=36, 7583=32...(6) H MET 21 - HA GLU 16 far 0 81 0 - 5.8-7.4 H ALA 25 - HA LYS 20 far 0 84 0 - 6.7-7.1 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 5 assignments used, quality = 1.00: * H GLU 23 + HA LYS 20 OK 100 100 100 100 3.6-3.9 6358=100, 6354/6344=45...(7) H LYS 94 - HA GLU 95 far 0 55 0 - 5.2-5.3 H GLU 23 - HA GLU 16 far 0 81 0 - 7.9-8.9 H LEU 27 - HA LYS 20 far 0 68 0 - 8.4-8.9 H LEU 103 - HA GLU 95 far 0 56 0 - 8.9-15.0 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 11 assignments used, quality = 0.77: HB2 GLU 16 + HA GLU 16 OK 77 77 100 100 2.8-3.0 3.0=100 ! HB2 GLU 23 - HA LYS 20 far 0 100 0 - 4.5-5.0 HB2 MET 21 - HA LYS 20 far 0 65 0 - 5.6-5.6 QE MET 21 - HA GLU 95 far 0 55 0 - 6.1-6.7 QE MET 21 - HA LYS 20 far 0 98 0 - 6.2-6.6 HB2 GLU 16 - HA LYS 20 far 0 99 0 - 7.1-7.9 HB2 MET 21 - HA GLU 16 far 0 46 0 - 7.2-8.7 HB2 PRO 86 - HA GLU 16 far 0 50 0 - 7.7-8.1 HB3 PRO 86 - HA GLU 16 far 0 71 0 - 8.2-8.7 QE MET 21 - HA GLU 16 far 0 76 0 - 9.2-10.4 HB2 GLU 23 - HA GLU 16 far 0 81 0 - 9.6-10.8 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 6 assignments used, quality = 0.93: HB3 GLU 16 + HA GLU 16 OK 76 76 100 100 2.4-2.9 3.0=100 HB3 GLU 95 + HA GLU 95 OK 58 58 100 100 2.3-3.0 3.0=100 * HB3 GLU 23 + HA LYS 20 OK 27 100 45 61 3.0-3.5 6366/855=29, 1027=23...(4) HB3 GLU 16 - HA LYS 20 far 0 98 0 - 5.8-8.7 HB2 PRO 86 - HA GLU 16 far 0 49 0 - 7.7-8.1 HB3 GLU 23 - HA GLU 16 far 0 81 0 - 8.4-9.6 Violated in 0 structures by 0.00 A. Peak 858 from cnoeabs.peaks (4.05, 1.89, 32.22 ppm; 3.97 A): 1 out of 11 assignments used, quality = 1.00: HA LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.3-2.6 3.0=100 ! HA GLU 17 - HB2 LYS 20 far 0 100 0 - 4.6-5.0 HA GLU 16 - HB2 LYS 20 far 0 99 0 - 5.0-7.3 HA LEU 70 - HB3 LYS 39 far 0 39 0 - 5.0-7.8 HA GLU 16 - HB2 LYS 12 far 0 62 0 - 5.7-6.3 HA LYS 66 - HB3 LYS 68 far 0 68 0 - 6.8-7.0 HA GLU 16 - HB3 LYS 12 far 0 66 0 - 7.3-7.8 HA LYS 66 - HB3 LYS 39 far 0 49 0 - 8.2-11.1 HA LEU 70 - HB3 LYS 68 far 0 55 0 - 8.5-8.7 HA GLU 17 - HB2 LYS 12 far 0 63 0 - 8.8-9.5 HA GLU 17 - HB3 LYS 12 far 0 68 0 - 9.9-10.7 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 2.6-3.6 4.0=100 H TYR 41 - HB3 LYS 39 far 0 42 0 - 5.2-6.3 H LYS 66 - HB3 LYS 68 far 0 83 0 - 6.3-6.7 H VAL 78 - HB3 LYS 68 far 0 47 0 - 7.1-7.7 H LYS 20 - HB2 LYS 12 far 0 63 0 - 9.2-10.5 H SER 9 - HB3 LYS 12 far 0 58 0 - 9.8-10.3 H SER 9 - HB2 LYS 12 far 0 54 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 860 from cnoeabs.peaks (4.05, 1.89, 32.22 ppm; 3.97 A): 1 out of 11 assignments used, quality = 1.00: * HA LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.3-2.6 3.0=100 HA GLU 17 - HB2 LYS 20 far 0 100 0 - 4.6-5.0 HA GLU 16 - HB2 LYS 20 far 0 100 0 - 5.0-7.3 HA LEU 70 - HB3 LYS 39 far 0 40 0 - 5.0-7.8 HA GLU 16 - HB2 LYS 12 far 0 62 0 - 5.7-6.3 HA LYS 66 - HB3 LYS 68 far 0 66 0 - 6.8-7.0 HA GLU 16 - HB3 LYS 12 far 0 67 0 - 7.3-7.8 HA LYS 66 - HB3 LYS 39 far 0 48 0 - 8.2-11.1 HA LEU 70 - HB3 LYS 68 far 0 57 0 - 8.5-8.7 HA GLU 17 - HB2 LYS 12 far 0 63 0 - 8.8-9.5 HA GLU 17 - HB3 LYS 12 far 0 68 0 - 9.9-10.7 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 22 assignments used, quality = 1.00: * HB3 LYS 20 + HB2 LYS 20 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 19 - HB2 LYS 20 far 0 100 0 - 4.2-5.9 HB2 LYS 13 - HB3 LYS 12 far 0 59 0 - 5.1-5.6 HB2 LYS 24 - HB2 LYS 20 far 0 81 0 - 5.2-7.1 HB2 LYS 13 - HB2 LYS 12 far 0 55 0 - 5.5-6.0 HG LEU 42 - HB3 LYS 39 far 0 33 0 - 5.7-6.7 HB3 LYS 24 - HB2 LYS 20 far 0 81 0 - 5.8-8.7 HB3 LYS 13 - HB3 LYS 12 far 0 57 0 - 6.1-6.4 HB2 GLU 17 - HB2 LYS 20 far 0 100 0 - 6.2-7.4 HB3 LYS 13 - HB2 LYS 12 far 0 53 0 - 6.3-6.5 HB2 LYS 73 - HB3 LYS 39 far 0 51 0 - 6.9-11.1 HB3 MET 74 - HB3 LYS 39 far 0 45 0 - 7.0-8.6 HB3 LEU 14 - HB3 LYS 12 far 0 43 0 - 7.0-7.4 HB3 LEU 14 - HB2 LYS 12 far 0 39 0 - 7.2-7.5 HB2 GLU 43 - HB3 LYS 39 far 0 45 0 - 7.3-9.0 HB3 ARG 19 - HB2 LYS 12 far 0 63 0 - 8.0-8.6 HB3 LYS 73 - HB3 LYS 39 far 0 52 0 - 8.0-11.2 HB VAL 32 - HB3 LYS 39 far 0 64 0 - 9.5-10.2 HB3 ARG 19 - HB3 LYS 12 far 0 67 0 - 9.6-10.1 HB2 LYS 73 - HB3 LYS 68 far 0 71 0 - 9.8-10.6 HB3 ARG 46 - HB3 LYS 39 far 0 49 0 - 9.8-11.1 HB2 GLU 17 - HB2 LYS 12 far 0 62 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 863 from cnoeabs.peaks (1.46, 1.89, 32.22 ppm; 3.35 A): 4 out of 24 assignments used, quality = 1.00: * HG2 LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.2-3.0 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 2.4-3.0 3.0=100 HG3 LYS 39 + HB3 LYS 39 OK 58 58 100 100 2.3-3.0 3.0=100 HG LEU 64 - HB3 LYS 68 poor 14 71 20 - 3.6-4.5 HB2 LEU 38 - HB3 LYS 39 far 0 65 0 - 3.9-6.3 HG2 LYS 13 - HB3 LYS 12 far 0 49 0 - 4.5-6.0 HG2 LYS 13 - HB2 LYS 12 far 0 45 0 - 4.8-6.5 HG LEU 38 - HB3 LYS 39 far 0 65 0 - 6.0-7.4 HB3 LEU 64 - HB3 LYS 68 far 0 55 0 - 6.0-6.8 QB ALA 22 - HB2 LYS 20 far 0 90 0 - 6.2-6.8 HG2 LYS 73 - HB3 LYS 39 far 0 37 0 - 6.4-10.0 HD2 LYS 40 - HB3 LYS 39 far 0 64 0 - 6.6-8.8 HD3 LYS 40 - HB3 LYS 39 far 0 63 0 - 7.0-9.8 HG LEU 38 - HB3 LYS 68 far 0 86 0 - 7.9-8.7 HG2 LYS 66 - HB3 LYS 68 far 0 54 0 - 8.5-8.8 HG3 LYS 66 - HB3 LYS 39 far 0 35 0 - 8.6-11.6 HD2 LYS 82 - HB3 LYS 68 far 0 86 0 - 8.9-10.4 HG2 LYS 73 - HB3 LYS 68 far 0 52 0 - 9.3-10.4 HG2 LYS 20 - HB2 LYS 12 far 0 63 0 - 9.4-10.5 HG13 ILE 76 - HB3 LYS 39 far 0 53 0 - 9.6-10.9 HG2 LYS 66 - HB3 LYS 39 far 0 38 0 - 9.6-12.6 HG3 LYS 66 - HB3 LYS 68 far 0 50 0 - 9.7-9.9 HB2 LEU 38 - HB3 LYS 68 far 0 86 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 864 from cnoeabs.peaks (1.67, 1.89, 32.22 ppm; 3.06 A): 9 out of 43 assignments used, quality = 1.00: * HG3 LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 20 + HB2 LYS 20 OK 67 100 70 96 2.1-3.9 3.5=65, ~848=14, ~883=14...(52) HG2 LYS 68 + HB3 LYS 68 OK 57 57 100 100 2.4-2.6 2.9=100 HD2 LYS 39 + HB3 LYS 39 OK 54 54 100 99 2.1-3.3 3.6=62, 1726/1.8=36...(39) HD3 LYS 68 + HB3 LYS 68 OK 52 71 75 99 2.3-3.7 3.5=67, 3045/1.8=14...(67) HD2 LYS 68 + HB3 LYS 68 OK 43 72 60 99 2.4-3.7 3.5=67, ~2993=13...(66) HD3 LYS 12 + HB3 LYS 12 OK 25 50 50 99 2.4-3.9 3.6=62, ~463=14, ~464=14...(78) HD3 LYS 12 + HB2 LYS 12 OK 23 46 50 99 2.1-3.7 3.6=62, ~463=14, ~464=14...(78) HD2 LYS 12 + HB2 LYS 12 OK 21 46 45 99 2.2-4.2 3.6=62, ~463=14, ~464=14...(78) HD2 LYS 12 - HB3 LYS 12 poor 15 50 30 - 3.1-4.1 HD2 LYS 20 - HB2 LYS 20 far 15 100 15 - 2.4-4.0 HD3 LYS 24 - HB2 LYS 20 far 4 90 5 - 3.2-9.6 HD3 LYS 39 - HB3 LYS 39 far 0 39 0 - 3.4-3.9 HD2 LYS 24 - HB2 LYS 20 far 0 91 0 - 3.7-8.3 HB2 LYS 40 - HB3 LYS 39 far 0 45 0 - 4.3-6.4 HB3 LYS 40 - HB3 LYS 39 far 0 63 0 - 4.5-6.9 HG LEU 70 - HB3 LYS 39 far 0 50 0 - 4.8-7.6 HD2 LYS 13 - HB3 LYS 12 far 0 50 0 - 4.9-7.3 HD2 LYS 13 - HB2 LYS 12 far 0 46 0 - 4.9-7.5 HD3 LYS 13 - HB3 LYS 12 far 0 48 0 - 5.0-7.4 HD3 LYS 13 - HB2 LYS 12 far 0 44 0 - 5.1-7.6 HD2 LYS 73 - HB3 LYS 39 far 0 64 0 - 6.1-11.3 HG12 ILE 15 - HB2 LYS 12 far 0 54 0 - 6.4-7.5 HG12 ILE 15 - HB3 LYS 12 far 0 58 0 - 6.6-7.9 HB3 ARG 79 - HB3 LYS 68 far 0 74 0 - 7.0-8.6 HD2 LYS 20 - HB2 LYS 12 far 0 63 0 - 7.7-9.3 HD3 LYS 73 - HB3 LYS 39 far 0 63 0 - 7.7-11.6 HD3 LYS 90 - HB2 LYS 20 far 0 90 0 - 7.8-9.0 HD3 LYS 20 - HB2 LYS 12 far 0 63 0 - 8.1-10.2 HG LEU 70 - HB3 LYS 68 far 0 69 0 - 8.1-8.9 HD3 LYS 66 - HB3 LYS 39 far 0 47 0 - 8.3-11.9 HG3 LYS 20 - HB2 LYS 12 far 0 63 0 - 8.4-11.9 HD3 LYS 66 - HB3 LYS 68 far 0 65 0 - 8.4-8.9 HB ILE 76 - HB3 LYS 68 far 0 60 0 - 9.0-9.6 HD2 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.2-10.8 HD2 LYS 13 - HB2 LYS 20 far 0 84 0 - 9.3-14.4 HB ILE 76 - HB3 LYS 39 far 0 43 0 - 9.4-10.9 HD3 LYS 13 - HB2 LYS 20 far 0 81 0 - 9.5-13.6 HD3 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.7-11.8 HG2 PRO 86 - HB3 LYS 12 far 0 59 0 - 9.8-11.8 HG2 PRO 86 - HB2 LYS 12 far 0 55 0 - 9.9-11.5 HG3 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.9-13.4 HB3 LEU 6 - HB3 LYS 39 far 0 48 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 865 from cnoeabs.peaks (1.68, 1.89, 32.22 ppm; 3.06 A): 9 out of 45 assignments used, quality = 1.00: HG3 LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 20 + HB2 LYS 20 OK 67 100 70 96 2.1-3.9 3.5=65, ~848=14, ~883=14...(52) HG2 LYS 68 + HB3 LYS 68 OK 52 52 100 100 2.4-2.6 2.9=100 HD2 LYS 39 + HB3 LYS 39 OK 51 51 100 99 2.1-3.3 3.6=62, 1726/1.8=34...(39) HD3 LYS 68 + HB3 LYS 68 OK 49 66 75 99 2.3-3.7 3.5=67, ~2993=13...(67) HD2 LYS 68 + HB3 LYS 68 OK 40 68 60 99 2.4-3.7 3.5=67, ~2993=13...(66) HD3 LYS 12 + HB3 LYS 12 OK 27 54 50 99 2.4-3.9 3.6=62, ~463=14, ~464=14...(78) HD3 LYS 12 + HB2 LYS 12 OK 25 50 50 99 2.1-3.7 3.6=62, ~463=14, ~464=14...(78) HD2 LYS 12 + HB2 LYS 12 OK 22 50 45 99 2.2-4.2 3.6=62, ~463=14, ~464=14...(78) HD2 LYS 12 - HB3 LYS 12 poor 16 54 30 - 3.1-4.1 ! HD2 LYS 20 - HB2 LYS 20 far 15 100 15 - 2.4-4.0 HD3 LYS 24 - HB2 LYS 20 far 5 93 5 - 3.2-9.6 HB3 LEU 70 - HB3 LYS 39 far 3 33 10 - 3.0-5.9 HD3 LYS 39 - HB3 LYS 39 far 0 35 0 - 3.4-3.9 HD2 LYS 24 - HB2 LYS 20 far 0 94 0 - 3.7-8.3 HB2 LYS 40 - HB3 LYS 39 far 0 42 0 - 4.3-6.4 HB3 LYS 40 - HB3 LYS 39 far 0 64 0 - 4.5-6.9 HG LEU 70 - HB3 LYS 39 far 0 53 0 - 4.8-7.6 HD2 LYS 13 - HB3 LYS 12 far 0 54 0 - 4.9-7.3 HD2 LYS 13 - HB2 LYS 12 far 0 50 0 - 4.9-7.5 HD3 LYS 13 - HB3 LYS 12 far 0 52 0 - 5.0-7.4 HD3 LYS 13 - HB2 LYS 12 far 0 48 0 - 5.1-7.6 HD2 LYS 73 - HB3 LYS 39 far 0 62 0 - 6.1-11.3 HG12 ILE 15 - HB2 LYS 12 far 0 56 0 - 6.4-7.5 HG12 ILE 15 - HB3 LYS 12 far 0 61 0 - 6.6-7.9 HB3 ARG 79 - HB3 LYS 68 far 0 71 0 - 7.0-8.6 HD2 LYS 20 - HB2 LYS 12 far 0 63 0 - 7.7-9.3 HD3 LYS 73 - HB3 LYS 39 far 0 61 0 - 7.7-11.6 HD3 LYS 90 - HB2 LYS 20 far 0 93 0 - 7.8-9.0 HD3 LYS 20 - HB2 LYS 12 far 0 63 0 - 8.1-10.2 HG LEU 70 - HB3 LYS 68 far 0 73 0 - 8.1-8.9 HD3 LYS 66 - HB3 LYS 39 far 0 50 0 - 8.3-11.9 HG3 LYS 20 - HB2 LYS 12 far 0 63 0 - 8.4-11.9 HD3 LYS 66 - HB3 LYS 68 far 0 69 0 - 8.4-8.9 HB3 LEU 70 - HB3 LYS 68 far 0 47 0 - 8.7-9.1 HB ILE 76 - HB3 LYS 68 far 0 55 0 - 9.0-9.6 HD2 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.2-10.8 HD2 LYS 13 - HB2 LYS 20 far 0 88 0 - 9.3-14.4 HB ILE 76 - HB3 LYS 39 far 0 39 0 - 9.4-10.9 HD3 LYS 13 - HB2 LYS 20 far 0 85 0 - 9.5-13.6 HD3 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.7-11.8 HG2 PRO 86 - HB3 LYS 12 far 0 62 0 - 9.8-11.8 HG2 PRO 86 - HB2 LYS 12 far 0 57 0 - 9.9-11.5 HG3 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.9-13.4 HB3 LEU 6 - HB3 LYS 39 far 0 44 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 866 from cnoeabs.peaks (1.67, 1.89, 32.22 ppm; 3.06 A): 9 out of 43 assignments used, quality = 1.00: HG3 LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 LYS 20 + HB2 LYS 20 OK 67 100 70 96 2.1-3.9 3.5=65, ~848=14, ~883=14...(52) HG2 LYS 68 + HB3 LYS 68 OK 57 57 100 100 2.4-2.6 2.9=100 HD2 LYS 39 + HB3 LYS 39 OK 54 54 100 99 2.1-3.3 3.6=62, 1726/1.8=36...(39) HD3 LYS 68 + HB3 LYS 68 OK 52 71 75 99 2.3-3.7 3.5=67, 3045/1.8=14...(67) HD2 LYS 68 + HB3 LYS 68 OK 43 72 60 99 2.4-3.7 3.5=67, ~2993=13...(66) HD3 LYS 12 + HB3 LYS 12 OK 25 50 50 99 2.4-3.9 3.6=62, ~463=14, ~464=14...(78) HD3 LYS 12 + HB2 LYS 12 OK 23 46 50 99 2.1-3.7 3.6=62, ~463=14, ~464=14...(78) HD2 LYS 12 + HB2 LYS 12 OK 21 46 45 99 2.2-4.2 3.6=62, ~463=14, ~464=14...(78) HD2 LYS 12 - HB3 LYS 12 poor 15 50 30 - 3.1-4.1 HD2 LYS 20 - HB2 LYS 20 far 15 100 15 - 2.4-4.0 HD3 LYS 24 - HB2 LYS 20 far 4 90 5 - 3.2-9.6 HD3 LYS 39 - HB3 LYS 39 far 0 39 0 - 3.4-3.9 HD2 LYS 24 - HB2 LYS 20 far 0 91 0 - 3.7-8.3 HB2 LYS 40 - HB3 LYS 39 far 0 45 0 - 4.3-6.4 HB3 LYS 40 - HB3 LYS 39 far 0 63 0 - 4.5-6.9 HG LEU 70 - HB3 LYS 39 far 0 50 0 - 4.8-7.6 HD2 LYS 13 - HB3 LYS 12 far 0 50 0 - 4.9-7.3 HD2 LYS 13 - HB2 LYS 12 far 0 46 0 - 4.9-7.5 HD3 LYS 13 - HB3 LYS 12 far 0 48 0 - 5.0-7.4 HD3 LYS 13 - HB2 LYS 12 far 0 44 0 - 5.1-7.6 HD2 LYS 73 - HB3 LYS 39 far 0 64 0 - 6.1-11.3 HG12 ILE 15 - HB2 LYS 12 far 0 54 0 - 6.4-7.5 HG12 ILE 15 - HB3 LYS 12 far 0 58 0 - 6.6-7.9 HB3 ARG 79 - HB3 LYS 68 far 0 74 0 - 7.0-8.6 HD2 LYS 20 - HB2 LYS 12 far 0 63 0 - 7.7-9.3 HD3 LYS 73 - HB3 LYS 39 far 0 63 0 - 7.7-11.6 HD3 LYS 90 - HB2 LYS 20 far 0 90 0 - 7.8-9.0 HD3 LYS 20 - HB2 LYS 12 far 0 63 0 - 8.1-10.2 HG LEU 70 - HB3 LYS 68 far 0 69 0 - 8.1-8.9 HD3 LYS 66 - HB3 LYS 39 far 0 47 0 - 8.3-11.9 HG3 LYS 20 - HB2 LYS 12 far 0 63 0 - 8.4-11.9 HD3 LYS 66 - HB3 LYS 68 far 0 65 0 - 8.4-8.9 HB ILE 76 - HB3 LYS 68 far 0 60 0 - 9.0-9.6 HD2 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.2-10.8 HD2 LYS 13 - HB2 LYS 20 far 0 84 0 - 9.3-14.4 HB ILE 76 - HB3 LYS 39 far 0 43 0 - 9.4-10.9 HD3 LYS 13 - HB2 LYS 20 far 0 81 0 - 9.5-13.6 HD3 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.7-11.8 HG2 PRO 86 - HB3 LYS 12 far 0 59 0 - 9.8-11.8 HG2 PRO 86 - HB2 LYS 12 far 0 55 0 - 9.9-11.5 HG3 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.9-13.4 HB3 LEU 6 - HB3 LYS 39 far 0 48 0 - 10.0-10.9 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 19 assignments used, quality = 1.00: * HE2 LYS 20 + HB2 LYS 20 OK 84 100 85 99 2.3-5.5 4.7=64, 6313/4.0=18...(63) HE3 LYS 20 + HB2 LYS 20 OK 75 100 75 99 2.0-4.7 4.7=64, 929/1.8=20...(79) HE2 LYS 68 + HB3 LYS 68 OK 65 86 75 100 2.3-4.9 5.0=54, 3.6/3014=18...(76) HE3 LYS 68 + HB3 LYS 68 OK 64 86 75 100 2.0-4.5 5.0=54, 4267/2.9=20...(76) HE3 LYS 39 + HB3 LYS 39 OK 37 37 100 100 2.0-3.4 4.9=57, ~1686=34...(40) HE2 LYS 73 - HB3 LYS 39 far 0 32 0 - 5.8-12.9 HE3 LYS 73 - HB3 LYS 39 far 0 38 0 - 6.2-13.3 HG2 MET 21 - HB2 LYS 20 far 0 81 0 - 6.2-7.7 HE3 LYS 90 - HB2 LYS 20 far 0 87 0 - 6.5-7.8 HE2 LYS 20 - HB2 LYS 12 far 0 63 0 - 6.8-11.1 HE2 LYS 66 - HB3 LYS 39 far 0 57 0 - 7.0-13.5 HE3 LYS 66 - HB3 LYS 39 far 0 62 0 - 7.3-12.6 HE3 LYS 66 - HB3 LYS 68 far 0 83 0 - 7.9-11.4 HE3 LYS 20 - HB2 LYS 12 far 0 63 0 - 7.9-12.2 HB2 ASN 10 - HB3 LYS 12 far 0 61 0 - 7.9-9.0 HE2 LYS 20 - HB3 LYS 12 far 0 68 0 - 8.6-12.7 HE2 LYS 66 - HB3 LYS 68 far 0 78 0 - 9.1-11.1 HB2 ASN 10 - HB2 LYS 12 far 0 56 0 - 9.2-10.1 HE3 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.5-13.7 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 19 assignments used, quality = 1.00: HE2 LYS 20 + HB2 LYS 20 OK 84 100 85 99 2.3-5.5 4.7=64, 6314/4.0=18...(63) * HE3 LYS 20 + HB2 LYS 20 OK 75 100 75 99 2.0-4.7 4.7=64, 929/1.8=20...(79) HE2 LYS 68 + HB3 LYS 68 OK 65 86 75 100 2.3-4.9 5.0=54, 3.6/3014=18...(76) HE3 LYS 68 + HB3 LYS 68 OK 64 86 75 100 2.0-4.5 5.0=54, 4267/2.9=20...(76) HE3 LYS 39 + HB3 LYS 39 OK 35 35 100 100 2.0-3.4 4.9=57, ~1686=34...(40) HE2 LYS 73 - HB3 LYS 39 far 0 33 0 - 5.8-12.9 HE3 LYS 73 - HB3 LYS 39 far 0 39 0 - 6.2-13.3 HG2 MET 21 - HB2 LYS 20 far 0 82 0 - 6.2-7.7 HE3 LYS 90 - HB2 LYS 20 far 0 88 0 - 6.5-7.8 HE2 LYS 20 - HB2 LYS 12 far 0 63 0 - 6.8-11.1 HE2 LYS 66 - HB3 LYS 39 far 0 56 0 - 7.0-13.5 HE3 LYS 66 - HB3 LYS 39 far 0 61 0 - 7.3-12.6 HE3 LYS 66 - HB3 LYS 68 far 0 82 0 - 7.9-11.4 HE3 LYS 20 - HB2 LYS 12 far 0 63 0 - 7.9-12.2 HB2 ASN 10 - HB3 LYS 12 far 0 62 0 - 7.9-9.0 HE2 LYS 20 - HB3 LYS 12 far 0 68 0 - 8.6-12.7 HE2 LYS 66 - HB3 LYS 68 far 0 77 0 - 9.1-11.1 HB2 ASN 10 - HB2 LYS 12 far 0 57 0 - 9.2-10.1 HE3 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.5-13.7 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 3.0-3.9 6324=100, 6325/1.8=98...(10) H LEU 64 - HB3 LYS 68 far 0 55 0 - 7.0-7.7 H ALA 25 - HB2 LYS 20 far 0 84 0 - 7.7-8.9 Violated in 0 structures by 0.00 A. Peak 870 from cnoeabs.peaks (4.05, 1.93, 32.22 ppm; 3.23 A): 3 out of 15 assignments used, quality = 1.00: HA LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.5-3.0 3.0=100 * HA GLU 17 + HB3 LYS 20 OK 36 100 80 45 3.0-5.3 734=18, 916/3.5=9...(7) HA LEU 70 + HB2 LYS 73 OK 20 46 65 68 2.7-4.1 10813/2.9=19...(11) HA LEU 70 - HB3 LYS 73 far 0 48 0 - 4.2-5.2 HA GLU 95 - HB2 LYS 94 far 0 69 0 - 4.4-5.5 HA GLU 16 - HB3 LYS 20 far 0 99 0 - 5.0-7.0 HA LYS 20 - HB2 LYS 24 far 0 58 0 - 5.1-6.4 HA ARG 46 - HB3 LYS 47 far 0 74 0 - 5.6-5.9 HA LYS 20 - HB3 LYS 24 far 0 58 0 - 6.0-7.7 HB2 SER 49 - HB3 LYS 47 far 0 87 0 - 7.4-8.4 HA LYS 66 - HB2 LYS 73 far 0 57 0 - 7.7-8.5 HA GLU 17 - HB2 LYS 24 far 0 58 0 - 8.5-9.1 HA PRO 86 - HB3 LYS 20 far 0 63 0 - 8.9-11.7 HA LYS 66 - HB3 LYS 73 far 0 59 0 - 9.2-9.7 HA GLU 17 - HB3 LYS 24 far 0 58 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 871 from cnoeabs.peaks (7.79, 1.93, 32.22 ppm; 3.40 A): 1 out of 6 assignments used, quality = 0.98: * H LYS 20 + HB3 LYS 20 OK 98 100 100 98 2.3-3.6 4.0=59, 6315/6325=48...(11) H LYS 20 - HB2 LYS 24 far 0 58 0 - 6.6-7.8 H GLU 99 - HB2 LYS 94 far 0 96 0 - 7.1-8.1 H LYS 20 - HB3 LYS 24 far 0 58 0 - 8.0-9.3 H GLU 99 - HB2 MET 1 far 0 56 0 - 9.1-10.7 H GLU 28 - HB2 MET 1 far 0 55 0 - 9.8-10.8 Violated in 3 structures by 0.03 A. Peak 872 from cnoeabs.peaks (4.05, 1.93, 32.22 ppm; 3.23 A): 3 out of 15 assignments used, quality = 1.00: * HA LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.5-3.0 3.0=100 HA GLU 17 + HB3 LYS 20 OK 36 100 80 45 3.0-5.3 734=18, 916/3.5=9...(7) HA LEU 70 + HB2 LYS 73 OK 21 47 65 69 2.7-4.1 10813/2.9=20...(11) HA LEU 70 - HB3 LYS 73 far 0 49 0 - 4.2-5.2 HA GLU 95 - HB2 LYS 94 far 0 71 0 - 4.4-5.5 HA GLU 16 - HB3 LYS 20 far 0 100 0 - 5.0-7.0 HA LYS 20 - HB2 LYS 24 far 0 58 0 - 5.1-6.4 HA ARG 46 - HB3 LYS 47 far 0 73 0 - 5.6-5.9 HA LYS 20 - HB3 LYS 24 far 0 58 0 - 6.0-7.7 HB2 SER 49 - HB3 LYS 47 far 0 87 0 - 7.4-8.4 HA LYS 66 - HB2 LYS 73 far 0 56 0 - 7.7-8.5 HA GLU 17 - HB2 LYS 24 far 0 58 0 - 8.5-9.1 HA PRO 86 - HB3 LYS 20 far 0 61 0 - 8.9-11.7 HA LYS 66 - HB3 LYS 73 far 0 58 0 - 9.2-9.7 HA GLU 17 - HB3 LYS 24 far 0 58 0 - 9.5-10.5 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 16 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 - HB2 LYS 24 far 0 58 0 - 5.2-7.1 HB2 ARG 19 - HB3 LYS 20 far 0 100 0 - 5.5-6.3 HB2 LYS 94 - HB3 LYS 24 far 0 34 0 - 5.7-9.3 HB2 LYS 20 - HB3 LYS 24 far 0 58 0 - 5.8-8.7 HB2 LYS 94 - HB2 LYS 24 far 0 34 0 - 5.8-8.6 HB3 LYS 39 - HB2 LYS 73 far 0 55 0 - 6.9-11.1 HB2 GLU 43 - HB3 LYS 47 far 0 79 0 - 7.4-8.0 HB3 LYS 39 - HB3 LYS 73 far 0 57 0 - 8.0-11.2 HB3 GLU 104 - HB2 MET 1 far 0 47 0 - 8.2-18.8 HG LEU 42 - HB2 LYS 73 far 0 73 0 - 8.8-11.4 HB2 ARG 19 - HB2 LYS 24 far 0 57 0 - 8.8-9.6 HB2 ARG 19 - HB3 LYS 24 far 0 57 0 - 9.5-11.0 HB2 LYS 94 - HB3 LYS 20 far 0 71 0 - 9.6-11.8 HB3 LYS 68 - HB2 LYS 73 far 0 65 0 - 9.8-10.6 HB3 LYS 13 - HB3 LYS 20 far 0 85 0 - 9.9-11.9 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 28 assignments used, quality = 1.00: * HG2 LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 47 + HB3 LYS 47 OK 55 55 100 100 2.2-2.7 3.0=100 HG2 LYS 73 + HB3 LYS 73 OK 45 45 100 100 2.7-3.0 2.9=100 HG2 LYS 73 + HB2 LYS 73 OK 43 43 100 100 2.2-2.3 2.9=100 HG3 ARG 91 - HB2 LYS 94 far 0 95 0 - 4.4-7.5 HB2 ARG 91 - HB2 LYS 94 far 0 71 0 - 5.2-7.2 QB ALA 22 - HB2 LYS 24 far 0 46 0 - 5.6-5.8 QB ALA 22 - HB3 LYS 20 far 0 90 0 - 5.8-6.4 HG3 LYS 39 - HB2 LYS 73 far 0 67 0 - 5.9-10.7 QB ALA 22 - HB3 LYS 24 far 0 46 0 - 6.2-7.1 HG3 LYS 53 - HB2 MET 1 far 0 53 0 - 6.3-6.9 HG2 LYS 20 - HB2 LYS 24 far 0 58 0 - 6.4-8.2 HD2 LYS 53 - HB2 MET 1 far 0 56 0 - 6.7-7.5 HB2 LEU 27 - HB2 LYS 24 far 0 58 0 - 7.2-8.4 HG3 LYS 39 - HB3 LYS 73 far 0 70 0 - 7.2-10.5 HG13 ILE 52 - HB3 LYS 47 far 0 88 0 - 7.3-8.0 QB ALA 22 - HB2 LYS 94 far 0 82 0 - 7.6-9.0 HG2 LYS 53 - HB2 MET 1 far 0 55 0 - 7.6-8.5 HG2 LYS 20 - HB3 LYS 24 far 0 58 0 - 7.7-9.7 HG13 ILE 76 - HB2 LYS 73 far 0 62 0 - 7.8-9.7 HB2 LEU 27 - HB3 LYS 24 far 0 58 0 - 8.0-9.5 HG13 ILE 52 - HB2 MET 1 far 0 56 0 - 8.1-8.7 HB2 LEU 27 - HB2 LYS 94 far 0 96 0 - 8.6-10.5 HG13 ILE 76 - HB3 LYS 73 far 0 64 0 - 8.7-9.6 HG13 ILE 76 - HB3 LYS 47 far 0 74 0 - 8.7-9.7 HB2 LEU 38 - HB2 LYS 73 far 0 75 0 - 9.3-12.3 HG LEU 38 - HB2 LYS 73 far 0 75 0 - 9.8-11.8 HG LEU 29 - HB3 LYS 20 far 0 90 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 876 from cnoeabs.peaks (1.67, 1.93, 32.22 ppm; 2.87 A): 10 out of 48 assignments used, quality = 1.00: * HG3 LYS 20 + HB3 LYS 20 OK 98 100 100 98 2.2-2.7 3.0=92, 893/871=27...(35) HD3 LYS 20 + HB3 LYS 20 OK 64 100 70 92 2.0-3.9 3.5=54, ~848=12, ~883=12...(45) HD3 LYS 47 + HB3 LYS 47 OK 60 86 70 99 2.4-4.2 3.9=38, 3.0/2204=10...(122) HD3 LYS 73 + HB3 LYS 73 OK 55 75 75 98 2.0-3.6 3.6=51, 3298/2.9=19...(114) HD2 LYS 24 + HB2 LYS 24 OK 39 47 85 98 2.1-3.7 3.6=52, ~1096=11...(92) HD2 LYS 73 + HB3 LYS 73 OK 33 76 45 98 2.1-3.5 3.6=51, 3298/2.9=18...(110) HD2 LYS 24 + HB3 LYS 24 OK 30 47 65 98 2.3-3.9 3.6=52, 1119/1.8=11...(95) HD2 LYS 20 + HB3 LYS 20 OK 28 100 30 94 2.4-4.2 3.5=54, ~848=12, ~883=12...(55) HD3 LYS 24 + HB3 LYS 24 OK 27 46 60 98 2.2-4.1 3.6=52, ~1096=11...(97) HD3 LYS 24 + HB2 LYS 24 OK 25 46 55 98 2.1-4.2 3.6=52, ~1096=11...(92) HD3 LYS 73 - HB2 LYS 73 poor 18 72 25 - 2.9-4.0 HD2 LYS 47 - HB3 LYS 47 poor 17 87 20 - 2.7-3.7 HD2 LYS 73 - HB2 LYS 73 far 11 73 15 - 3.0-4.2 HD3 LYS 24 - HB3 LYS 20 far 0 90 0 - 3.5-9.0 HD2 LYS 24 - HB3 LYS 20 far 0 91 0 - 4.4-7.6 HG LEU 70 - HB2 LYS 73 far 0 58 0 - 5.2-6.4 HD2 LYS 39 - HB2 LYS 73 far 0 63 0 - 5.3-10.6 HG3 LYS 20 - HB2 LYS 24 far 0 58 0 - 5.4-8.4 HB3 ARG 91 - HB2 LYS 94 far 0 94 0 - 5.6-7.8 HD3 LYS 39 - HB2 LYS 73 far 0 46 0 - 5.6-9.5 HD2 LYS 39 - HB3 LYS 73 far 0 65 0 - 6.1-10.4 HD3 LYS 90 - HB3 LYS 20 far 0 90 0 - 6.2-8.9 HB2 LEU 2 - HB2 MET 1 far 0 39 0 - 6.3-6.7 HD3 LYS 39 - HB3 LYS 73 far 0 48 0 - 6.3-9.1 HD3 LYS 24 - HB2 LYS 94 far 0 82 0 - 6.4-10.7 HB ILE 52 - HB3 LYS 47 far 0 87 0 - 6.4-6.9 HG LEU 70 - HB3 LYS 73 far 0 61 0 - 6.5-7.6 HD2 LYS 24 - HB2 LYS 94 far 0 83 0 - 6.7-11.3 HG3 LYS 20 - HB3 LYS 24 far 0 58 0 - 6.7-10.1 HD3 LYS 20 - HB2 LYS 24 far 0 58 0 - 7.3-9.9 HB3 LYS 53 - HB2 MET 1 far 0 53 0 - 7.4-8.3 HB ILE 76 - HB2 LYS 73 far 0 50 0 - 7.5-9.0 HB2 LEU 2 - HB3 LYS 47 far 0 66 0 - 8.0-9.2 HD2 LYS 20 - HB2 LYS 24 far 0 57 0 - 8.1-9.8 HD3 LYS 66 - HB2 LYS 73 far 0 55 0 - 8.3-9.6 HB ILE 52 - HB2 MET 1 far 0 55 0 - 8.5-9.3 HD3 LYS 90 - HB2 LYS 94 far 0 82 0 - 8.8-10.7 HB ILE 76 - HB3 LYS 73 far 0 52 0 - 8.8-9.5 HG2 LYS 68 - HB2 LYS 73 far 0 47 0 - 8.8-10.1 HD3 LYS 20 - HB3 LYS 24 far 0 58 0 - 9.0-11.2 HD2 LYS 20 - HB3 LYS 24 far 0 57 0 - 9.1-11.3 HD3 LYS 13 - HB3 LYS 20 far 0 81 0 - 9.1-12.9 HD2 LYS 13 - HB3 LYS 20 far 0 84 0 - 9.2-14.4 HD3 LYS 66 - HB3 LYS 73 far 0 57 0 - 9.3-10.6 HD3 LYS 90 - HB2 LYS 24 far 0 46 0 - 9.4-10.6 HD3 LYS 68 - HB2 LYS 73 far 0 60 0 - 9.5-12.0 HG2 PRO 86 - HB3 LYS 20 far 0 94 0 - 9.8-12.5 HD2 LYS 68 - HB2 LYS 73 far 0 61 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 877 from cnoeabs.peaks (1.68, 1.93, 32.22 ppm; 2.87 A): 10 out of 50 assignments used, quality = 1.00: HG3 LYS 20 + HB3 LYS 20 OK 98 100 100 98 2.2-2.7 3.0=92, 893/871=27...(35) HD3 LYS 20 + HB3 LYS 20 OK 64 100 70 92 2.0-3.9 3.5=54, ~848=12, ~883=12...(45) HD3 LYS 47 + HB3 LYS 47 OK 60 87 70 99 2.4-4.2 3.9=38, 3.0/2204=10...(122) HD3 LYS 73 + HB3 LYS 73 OK 54 73 75 98 2.0-3.6 3.6=51, 3298/2.9=18...(114) HD2 LYS 24 + HB2 LYS 24 OK 41 50 85 98 2.1-3.7 3.6=52, ~1096=11...(92) HD2 LYS 73 + HB3 LYS 73 OK 33 74 45 98 2.1-3.5 3.6=51, 3298/2.9=18...(110) HD2 LYS 24 + HB3 LYS 24 OK 32 50 65 98 2.3-3.9 3.6=52, 1120/1.8=12...(95) HD3 LYS 24 + HB3 LYS 24 OK 29 49 60 98 2.2-4.1 3.6=52, ~1096=11...(97) * HD2 LYS 20 + HB3 LYS 20 OK 28 100 30 94 2.4-4.2 3.5=54, ~848=12, ~883=12...(55) HD3 LYS 24 + HB2 LYS 24 OK 26 49 55 98 2.1-4.2 3.6=52, ~1096=11...(92) HD3 LYS 73 - HB2 LYS 73 poor 18 71 25 - 2.9-4.0 HD2 LYS 47 - HB3 LYS 47 poor 17 87 20 - 2.7-3.7 HD2 LYS 73 - HB2 LYS 73 far 11 72 15 - 3.0-4.2 HD3 LYS 24 - HB3 LYS 20 far 0 93 0 - 3.5-9.0 HD2 LYS 24 - HB3 LYS 20 far 0 94 0 - 4.4-7.6 HB3 LEU 70 - HB2 LYS 73 far 0 39 0 - 4.4-6.5 HG LEU 70 - HB2 LYS 73 far 0 62 0 - 5.2-6.4 HD2 LYS 39 - HB2 LYS 73 far 0 60 0 - 5.3-10.6 HG3 LYS 20 - HB2 LYS 24 far 0 57 0 - 5.4-8.4 HB3 ARG 91 - HB2 LYS 94 far 0 95 0 - 5.6-7.8 HD3 LYS 39 - HB2 LYS 73 far 0 42 0 - 5.6-9.5 HB3 LEU 70 - HB3 LYS 73 far 0 40 0 - 6.0-7.3 HD2 LYS 39 - HB3 LYS 73 far 0 62 0 - 6.1-10.4 HD3 LYS 90 - HB3 LYS 20 far 0 93 0 - 6.2-8.9 HB2 LEU 2 - HB2 MET 1 far 0 42 0 - 6.3-6.7 HD3 LYS 39 - HB3 LYS 73 far 0 43 0 - 6.3-9.1 HD3 LYS 24 - HB2 LYS 94 far 0 86 0 - 6.4-10.7 HB ILE 52 - HB3 LYS 47 far 0 86 0 - 6.4-6.9 HG LEU 70 - HB3 LYS 73 far 0 64 0 - 6.5-7.6 HD2 LYS 24 - HB2 LYS 94 far 0 87 0 - 6.7-11.3 HG3 LYS 20 - HB3 LYS 24 far 0 57 0 - 6.7-10.1 HD3 LYS 20 - HB2 LYS 24 far 0 57 0 - 7.3-9.9 HB3 LYS 53 - HB2 MET 1 far 0 54 0 - 7.4-8.3 HB ILE 76 - HB2 LYS 73 far 0 46 0 - 7.5-9.0 HB2 LEU 2 - HB3 LYS 47 far 0 70 0 - 8.0-9.2 HD2 LYS 20 - HB2 LYS 24 far 0 58 0 - 8.1-9.8 HD3 LYS 66 - HB2 LYS 73 far 0 58 0 - 8.3-9.6 HB ILE 52 - HB2 MET 1 far 0 54 0 - 8.5-9.3 HD3 LYS 90 - HB2 LYS 94 far 0 86 0 - 8.8-10.7 HB ILE 76 - HB3 LYS 73 far 0 48 0 - 8.8-9.5 HG2 LYS 68 - HB2 LYS 73 far 0 43 0 - 8.8-10.1 HD3 LYS 20 - HB3 LYS 24 far 0 57 0 - 9.0-11.2 HD2 LYS 20 - HB3 LYS 24 far 0 58 0 - 9.1-11.3 HD3 LYS 13 - HB3 LYS 20 far 0 85 0 - 9.1-12.9 HD2 LYS 13 - HB3 LYS 20 far 0 88 0 - 9.2-14.4 HD3 LYS 66 - HB3 LYS 73 far 0 61 0 - 9.3-10.6 HD3 LYS 90 - HB2 LYS 24 far 0 49 0 - 9.4-10.6 HD3 LYS 68 - HB2 LYS 73 far 0 56 0 - 9.5-12.0 HG2 PRO 86 - HB3 LYS 20 far 0 96 0 - 9.8-12.5 HD2 LYS 68 - HB2 LYS 73 far 0 57 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 878 from cnoeabs.peaks (1.67, 1.93, 32.22 ppm; 2.87 A): 10 out of 48 assignments used, quality = 1.00: HG3 LYS 20 + HB3 LYS 20 OK 98 100 100 98 2.2-2.7 3.0=92, 893/871=27...(35) * HD3 LYS 20 + HB3 LYS 20 OK 64 100 70 92 2.0-3.9 3.5=54, ~848=12, ~883=12...(45) HD3 LYS 47 + HB3 LYS 47 OK 60 86 70 99 2.4-4.2 3.9=38, 3.0/2204=10...(122) HD3 LYS 73 + HB3 LYS 73 OK 55 75 75 98 2.0-3.6 3.6=51, 3298/2.9=19...(114) HD2 LYS 24 + HB2 LYS 24 OK 39 47 85 98 2.1-3.7 3.6=52, ~1096=11...(92) HD2 LYS 73 + HB3 LYS 73 OK 33 76 45 98 2.1-3.5 3.6=51, 3298/2.9=18...(110) HD2 LYS 24 + HB3 LYS 24 OK 30 47 65 98 2.3-3.9 3.6=52, 1119/1.8=11...(95) HD2 LYS 20 + HB3 LYS 20 OK 28 100 30 94 2.4-4.2 3.5=54, ~848=12, ~883=12...(55) HD3 LYS 24 + HB3 LYS 24 OK 27 46 60 98 2.2-4.1 3.6=52, ~1096=11...(97) HD3 LYS 24 + HB2 LYS 24 OK 25 46 55 98 2.1-4.2 3.6=52, ~1096=11...(92) HD3 LYS 73 - HB2 LYS 73 poor 18 72 25 - 2.9-4.0 HD2 LYS 47 - HB3 LYS 47 poor 17 87 20 - 2.7-3.7 HD2 LYS 73 - HB2 LYS 73 far 11 73 15 - 3.0-4.2 HD3 LYS 24 - HB3 LYS 20 far 0 90 0 - 3.5-9.0 HD2 LYS 24 - HB3 LYS 20 far 0 91 0 - 4.4-7.6 HG LEU 70 - HB2 LYS 73 far 0 58 0 - 5.2-6.4 HD2 LYS 39 - HB2 LYS 73 far 0 63 0 - 5.3-10.6 HG3 LYS 20 - HB2 LYS 24 far 0 58 0 - 5.4-8.4 HB3 ARG 91 - HB2 LYS 94 far 0 94 0 - 5.6-7.8 HD3 LYS 39 - HB2 LYS 73 far 0 46 0 - 5.6-9.5 HD2 LYS 39 - HB3 LYS 73 far 0 65 0 - 6.1-10.4 HD3 LYS 90 - HB3 LYS 20 far 0 90 0 - 6.2-8.9 HB2 LEU 2 - HB2 MET 1 far 0 39 0 - 6.3-6.7 HD3 LYS 39 - HB3 LYS 73 far 0 48 0 - 6.3-9.1 HD3 LYS 24 - HB2 LYS 94 far 0 82 0 - 6.4-10.7 HB ILE 52 - HB3 LYS 47 far 0 87 0 - 6.4-6.9 HG LEU 70 - HB3 LYS 73 far 0 61 0 - 6.5-7.6 HD2 LYS 24 - HB2 LYS 94 far 0 83 0 - 6.7-11.3 HG3 LYS 20 - HB3 LYS 24 far 0 58 0 - 6.7-10.1 HD3 LYS 20 - HB2 LYS 24 far 0 58 0 - 7.3-9.9 HB3 LYS 53 - HB2 MET 1 far 0 53 0 - 7.4-8.3 HB ILE 76 - HB2 LYS 73 far 0 50 0 - 7.5-9.0 HB2 LEU 2 - HB3 LYS 47 far 0 66 0 - 8.0-9.2 HD2 LYS 20 - HB2 LYS 24 far 0 57 0 - 8.1-9.8 HD3 LYS 66 - HB2 LYS 73 far 0 55 0 - 8.3-9.6 HB ILE 52 - HB2 MET 1 far 0 55 0 - 8.5-9.3 HD3 LYS 90 - HB2 LYS 94 far 0 82 0 - 8.8-10.7 HB ILE 76 - HB3 LYS 73 far 0 52 0 - 8.8-9.5 HG2 LYS 68 - HB2 LYS 73 far 0 47 0 - 8.8-10.1 HD3 LYS 20 - HB3 LYS 24 far 0 58 0 - 9.0-11.2 HD2 LYS 20 - HB3 LYS 24 far 0 57 0 - 9.1-11.3 HD3 LYS 13 - HB3 LYS 20 far 0 81 0 - 9.1-12.9 HD2 LYS 13 - HB3 LYS 20 far 0 84 0 - 9.2-14.4 HD3 LYS 66 - HB3 LYS 73 far 0 57 0 - 9.3-10.6 HD3 LYS 90 - HB2 LYS 24 far 0 46 0 - 9.4-10.6 HD3 LYS 68 - HB2 LYS 73 far 0 60 0 - 9.5-12.0 HG2 PRO 86 - HB3 LYS 20 far 0 94 0 - 9.8-12.5 HD2 LYS 68 - HB2 LYS 73 far 0 61 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 879 from cnoeabs.peaks (2.91, 1.93, 32.22 ppm; 4.08 A): 8 out of 32 assignments used, quality = 1.00: HE3 LYS 20 + HB3 LYS 20 OK 84 100 85 99 2.0-4.5 4.7=64, 6314/871=19...(74) * HE2 LYS 20 + HB3 LYS 20 OK 84 100 85 99 2.1-4.7 4.7=64, 1.8/929=20...(58) HE3 LYS 94 + HB2 LYS 94 OK 67 96 70 99 2.0-4.8 4.8=62, 3.0/4191=30...(40) HE2 LYS 94 + HB2 LYS 94 OK 51 94 55 99 2.0-5.1 4.8=62, 4206/1.8=33...(40) HE3 LYS 73 + HB3 LYS 73 OK 39 46 85 100 2.4-4.5 4.9=58, 1.8/2204=16...(111) HE2 LYS 73 + HB3 LYS 73 OK 39 39 100 100 2.5-4.3 4.9=58, ~3298=12...(105) HE3 LYS 73 + HB2 LYS 73 OK 25 45 55 100 2.7-5.1 4.9=58, 7.0/7206=17...(126) HE2 LYS 73 + HB2 LYS 73 OK 24 37 65 100 2.3-5.3 4.9=58, 7.0/7206=17...(125) HG2 MET 21 - HB2 LYS 94 far 0 73 0 - 4.7-6.8 HG2 MET 21 - HB3 LYS 20 far 0 81 0 - 5.0-6.8 HB2 ASN 51 - HB2 MET 1 far 0 32 0 - 5.1-5.6 HE3 LYS 94 - HB3 LYS 24 far 0 58 0 - 5.2-11.0 HE3 LYS 90 - HB3 LYS 20 far 0 87 0 - 5.2-7.6 HG2 MET 21 - HB2 LYS 24 far 0 40 0 - 5.5-6.1 HG2 MET 21 - HB3 LYS 24 far 0 40 0 - 6.0-7.4 HE3 LYS 39 - HB2 LYS 73 far 0 43 0 - 6.2-10.4 HE3 LYS 94 - HB2 LYS 24 far 0 58 0 - 6.5-11.1 HE3 LYS 20 - HB2 LYS 24 far 0 58 0 - 6.6-10.7 HE2 LYS 94 - HB3 LYS 24 far 0 56 0 - 6.6-10.6 HE3 LYS 39 - HB3 LYS 73 far 0 45 0 - 7.1-10.3 HE2 LYS 20 - HB2 LYS 24 far 0 58 0 - 7.4-11.2 HE2 LYS 94 - HB2 LYS 24 far 0 56 0 - 7.7-10.8 HE2 LYS 20 - HB3 LYS 24 far 0 58 0 - 7.9-12.2 HE2 LYS 66 - HB2 LYS 73 far 0 66 0 - 8.0-11.8 HE3 LYS 66 - HB2 LYS 73 far 0 71 0 - 8.0-11.6 HE3 LYS 20 - HB3 LYS 24 far 0 58 0 - 8.0-11.9 HE3 LYS 90 - HB2 LYS 94 far 0 79 0 - 8.3-10.7 HE3 LYS 90 - HB2 LYS 24 far 0 44 0 - 8.4-9.8 HE3 LYS 66 - HB3 LYS 73 far 0 74 0 - 9.0-12.4 HE3 LYS 68 - HB2 LYS 73 far 0 74 0 - 9.1-12.1 HE2 LYS 66 - HB3 LYS 73 far 0 69 0 - 9.1-12.7 HE3 LYS 90 - HB3 LYS 24 far 0 44 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 880 from cnoeabs.peaks (2.91, 1.93, 32.22 ppm; 4.08 A): 8 out of 32 assignments used, quality = 1.00: * HE3 LYS 20 + HB3 LYS 20 OK 84 100 85 99 2.0-4.5 4.7=64, 6314/871=19...(74) HE2 LYS 20 + HB3 LYS 20 OK 84 100 85 99 2.1-4.7 4.7=64, 1.8/929=20...(58) HE3 LYS 94 + HB2 LYS 94 OK 66 96 70 99 2.0-4.8 4.8=62, 3.0/4191=30...(40) HE2 LYS 94 + HB2 LYS 94 OK 52 94 55 99 2.0-5.1 4.8=62, 4206/1.8=33...(40) HE3 LYS 73 + HB3 LYS 73 OK 41 48 85 100 2.4-4.5 4.9=58, 1.8/2204=16...(111) HE2 LYS 73 + HB3 LYS 73 OK 40 40 100 100 2.5-4.3 4.9=58, ~3298=12...(105) HE3 LYS 73 + HB2 LYS 73 OK 25 46 55 100 2.7-5.1 4.9=58, 7.0/7206=17...(126) HE2 LYS 73 + HB2 LYS 73 OK 25 39 65 100 2.3-5.3 4.9=58, 7.0/7206=17...(125) HG2 MET 21 - HB2 LYS 94 far 0 75 0 - 4.7-6.8 HG2 MET 21 - HB3 LYS 20 far 0 82 0 - 5.0-6.8 HB2 ASN 51 - HB2 MET 1 far 0 33 0 - 5.1-5.6 HE3 LYS 94 - HB3 LYS 24 far 0 58 0 - 5.2-11.0 HE3 LYS 90 - HB3 LYS 20 far 0 88 0 - 5.2-7.6 HG2 MET 21 - HB2 LYS 24 far 0 41 0 - 5.5-6.1 HG2 MET 21 - HB3 LYS 24 far 0 41 0 - 6.0-7.4 HE3 LYS 39 - HB2 LYS 73 far 0 42 0 - 6.2-10.4 HE3 LYS 94 - HB2 LYS 24 far 0 58 0 - 6.5-11.1 HE3 LYS 20 - HB2 LYS 24 far 0 58 0 - 6.6-10.7 HE2 LYS 94 - HB3 LYS 24 far 0 56 0 - 6.6-10.6 HE3 LYS 39 - HB3 LYS 73 far 0 43 0 - 7.1-10.3 HE2 LYS 20 - HB2 LYS 24 far 0 58 0 - 7.4-11.2 HE2 LYS 94 - HB2 LYS 24 far 0 56 0 - 7.7-10.8 HE2 LYS 20 - HB3 LYS 24 far 0 58 0 - 7.9-12.2 HE2 LYS 66 - HB2 LYS 73 far 0 65 0 - 8.0-11.8 HE3 LYS 66 - HB2 LYS 73 far 0 71 0 - 8.0-11.6 HE3 LYS 20 - HB3 LYS 24 far 0 58 0 - 8.0-11.9 HE3 LYS 90 - HB2 LYS 94 far 0 81 0 - 8.3-10.7 HE3 LYS 90 - HB2 LYS 24 far 0 45 0 - 8.4-9.8 HE3 LYS 66 - HB3 LYS 73 far 0 73 0 - 9.0-12.4 HE3 LYS 68 - HB2 LYS 73 far 0 74 0 - 9.1-12.1 HE2 LYS 66 - HB3 LYS 73 far 0 68 0 - 9.1-12.7 HE3 LYS 90 - HB3 LYS 24 far 0 45 0 - 9.3-10.9 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 14 assignments used, quality = 1.00: * H MET 21 + HB3 LYS 20 OK 100 100 100 100 2.2-3.5 6325=100, 6324/1.8=65...(10) H ALA 25 + HB2 LYS 24 OK 40 42 100 95 2.8-3.5 4.4=56, 6391/7396=43...(15) H ALA 25 + HB3 LYS 24 OK 38 42 95 96 3.0-4.2 4.4=56, 6399/1.8=47...(13) H MET 21 - HB2 LYS 24 far 0 58 0 - 4.5-5.4 H GLU 98 - HB2 LYS 94 far 0 71 0 - 4.9-6.3 H MET 21 - HB3 LYS 24 far 0 58 0 - 6.1-7.1 H ALA 25 - HB2 LYS 94 far 0 76 0 - 6.5-8.8 HD22 ASN 51 - HB2 MET 1 far 0 56 0 - 6.9-8.0 H ALA 25 - HB3 LYS 20 far 0 84 0 - 7.5-8.4 H MET 21 - HB2 LYS 94 far 0 96 0 - 7.9-9.7 H GLU 98 - HB3 LYS 24 far 0 39 0 - 8.8-11.8 H GLU 98 - HB2 LYS 24 far 0 39 0 - 9.6-11.1 H GLU 98 - HB2 MET 1 far 0 37 0 - 9.7-11.1 HD22 ASN 51 - HB3 LYS 47 far 0 88 0 - 9.9-11.6 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 1.8-3.7 6309=100, 893/1.8=81...(10) H VAL 78 - HG2 LYS 53 far 0 57 0 - 6.5-7.9 H VAL 78 - HG3 LYS 53 far 0 53 0 - 8.0-9.4 H SER 9 - HG2 LYS 12 far 0 82 0 - 8.1-9.1 H GLU 99 - HG3 LYS 53 far 0 94 0 - 8.6-10.3 H GLU 28 - HG3 LYS 53 far 0 93 0 - 9.5-10.5 H LYS 20 - HG2 LYS 12 far 0 93 0 - 9.7-11.8 H GLU 99 - HG2 LYS 53 far 0 97 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 883 from cnoeabs.peaks (4.05, 1.46, 25.11 ppm; 3.56 A): 1 out of 11 assignments used, quality = 1.00: * HA LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.3-3.6 848=100, 2.9/6309=53...(64) HA GLU 17 - HG2 LYS 20 poor 20 100 20 - 2.0-5.8 HA GLU 16 - HG2 LYS 20 far 0 100 0 - 4.6-5.5 HA GLU 16 - HG2 LYS 12 far 0 91 0 - 6.2-8.3 HA GLU 16 - HG2 LYS 13 far 0 61 0 - 7.9-9.8 HB2 SER 49 - HG2 LYS 53 far 0 97 0 - 8.0-9.2 HA GLU 17 - HG2 LYS 13 far 0 62 0 - 8.0-9.7 HA PRO 86 - HG2 LYS 20 far 0 61 0 - 8.3-12.0 HA PRO 86 - HG2 LYS 13 far 0 31 0 - 8.8-9.6 HA ARG 46 - HG2 LYS 53 far 0 84 0 - 8.9-9.9 HB2 SER 49 - HG3 LYS 53 far 0 93 0 - 8.9-10.5 Violated in 3 structures by 0.00 A. Peak 884 from cnoeabs.peaks (1.89, 1.46, 25.11 ppm; 3.07 A): 5 out of 21 assignments used, quality = 1.00: * HB2 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.2-3.0 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 2.4-3.0 3.0=100 HB3 LYS 13 + HG2 LYS 13 OK 47 47 100 100 2.5-2.6 3.0=100 HB2 LYS 13 + HG2 LYS 13 OK 44 44 100 100 2.3-3.0 3.0=100 HB3 LYS 12 - HG2 LYS 13 far 0 49 0 - 4.5-6.0 HB2 ARG 19 - HG2 LYS 20 far 0 100 0 - 4.7-5.9 HB2 LYS 12 - HG2 LYS 13 far 0 47 0 - 4.8-6.5 HB3 LEU 14 - HG2 LYS 13 far 0 58 0 - 6.7-7.4 HB VAL 54 - HG2 LYS 53 far 0 97 0 - 6.9-7.5 HB2 LYS 13 - HG2 LYS 12 far 0 71 0 - 6.9-7.7 HB3 LEU 14 - HG2 LYS 12 far 0 88 0 - 7.4-8.0 HB VAL 54 - HG3 LYS 53 far 0 93 0 - 7.7-8.2 HB3 GLU 104 - HG2 LYS 53 far 0 88 0 - 7.7-16.5 HB3 LYS 13 - HG2 LYS 12 far 0 74 0 - 8.1-8.4 HB3 GLU 104 - HG3 LYS 53 far 0 83 0 - 8.5-15.9 HB3 LYS 13 - HG2 LYS 20 far 0 85 0 - 8.9-11.6 HB2 ARG 19 - HG2 LYS 12 far 0 92 0 - 9.0-11.3 HB3 LYS 33 - HG2 LYS 12 far 0 73 0 - 9.2-10.8 HB2 LYS 12 - HG2 LYS 20 far 0 85 0 - 9.4-10.5 HB3 LEU 14 - HG2 LYS 20 far 0 98 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 885 from cnoeabs.peaks (1.93, 1.46, 25.11 ppm; 3.20 A): 3 out of 18 assignments used, quality = 1.00: * HB3 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.4-3.0 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 2.5-2.6 3.0=100 HB3 ARG 19 - HG2 LYS 20 far 0 100 0 - 3.8-5.2 HB2 GLU 17 - HG2 LYS 20 far 0 100 0 - 4.2-8.2 HB2 MET 1 - HG3 LYS 53 far 0 92 0 - 6.3-6.9 HB2 LYS 24 - HG2 LYS 20 far 0 81 0 - 6.4-8.2 HB3 LEU 14 - HG2 LYS 13 far 0 39 0 - 6.7-7.4 HB2 LYS 13 - HG2 LYS 12 far 0 83 0 - 6.9-7.7 HB3 LEU 14 - HG2 LYS 12 far 0 63 0 - 7.4-8.0 HB2 MET 1 - HG2 LYS 53 far 0 96 0 - 7.6-8.5 HB3 LYS 24 - HG2 LYS 20 far 0 81 0 - 7.7-9.7 HB3 ARG 19 - HG2 LYS 12 far 0 92 0 - 7.9-10.3 HB3 LYS 13 - HG2 LYS 12 far 0 81 0 - 8.1-8.4 HB2 GLU 17 - HG2 LYS 13 far 0 61 0 - 8.4-9.6 HB3 LYS 13 - HG2 LYS 20 far 0 92 0 - 8.9-11.6 HB3 LYS 33 - HG2 LYS 12 far 0 82 0 - 9.2-10.8 HB3 LEU 14 - HG2 LYS 20 far 0 73 0 - 9.9-12.8 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): 7 out of 40 assignments used, quality = 1.00: * HG3 LYS 20 + HG2 LYS 20 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 53 + HG3 LYS 53 OK 85 90 100 94 2.2-2.4 3.0=54, 2451/3.0=27...(28) HD3 LYS 20 + HG2 LYS 20 OK 42 100 50 85 2.4-2.9 2.8=61, 5.3/848=10...(38) HD3 LYS 12 + HG2 LYS 12 OK 37 73 55 93 2.3-3.0 3.0=53, 3.0/463=22...(42) HD2 LYS 12 + HG2 LYS 12 OK 37 73 55 92 2.3-3.0 3.0=53, 3.0/463=22...(42) HD2 LYS 20 + HG2 LYS 20 OK 30 100 35 87 2.2-3.0 2.8=61, 1.8/1729=10...(44) HD3 LYS 13 + HG2 LYS 13 OK 26 43 65 91 2.3-3.0 3.0=55, 2.9/474=8...(55) HD2 LYS 13 - HG2 LYS 13 poor 19 46 45 90 2.3-3.0 3.0=55, 2.9/474=8...(50) HB3 LYS 53 - HG2 LYS 53 far 0 95 0 - 2.9-3.0 HB2 LEU 2 - HG3 LYS 53 far 0 72 0 - 4.9-5.7 HD3 LYS 24 - HG2 LYS 20 far 0 90 0 - 5.3-10.4 HG12 ILE 15 - HG2 LYS 12 far 0 82 0 - 5.7-6.4 HB2 LEU 2 - HG2 LYS 53 far 0 77 0 - 5.7-6.5 HB ILE 52 - HG2 LYS 53 far 0 97 0 - 5.7-6.2 HB ILE 52 - HG3 LYS 53 far 0 93 0 - 5.7-6.4 HD2 LYS 24 - HG2 LYS 20 far 0 91 0 - 5.9-9.0 HG2 PRO 86 - HG2 LYS 13 far 0 54 0 - 5.9-8.2 HD3 LYS 90 - HG2 LYS 20 far 0 90 0 - 6.0-10.5 HD3 LYS 12 - HG2 LYS 13 far 0 46 0 - 6.9-8.9 HD2 LYS 13 - HG2 LYS 12 far 0 73 0 - 7.3-9.6 HD2 LYS 12 - HG2 LYS 13 far 0 46 0 - 7.4-9.5 HD3 LYS 13 - HG2 LYS 12 far 0 70 0 - 7.5-9.9 HD2 LYS 20 - HG2 LYS 13 far 0 62 0 - 7.9-10.6 HB3 ARG 79 - HG2 LYS 53 far 0 87 0 - 8.1-9.3 HD3 LYS 13 - HG2 LYS 20 far 0 81 0 - 8.1-13.0 HB ILE 76 - HG2 LYS 53 far 0 72 0 - 8.1-9.7 HB3 ARG 79 - HG3 LYS 53 far 0 82 0 - 8.3-10.0 HD3 LYS 20 - HG2 LYS 13 far 0 62 0 - 8.5-12.2 HD2 LYS 13 - HG2 LYS 20 far 0 84 0 - 8.7-13.4 HG12 ILE 15 - HG2 LYS 13 far 0 53 0 - 8.9-10.6 HD2 LYS 20 - HG2 LYS 12 far 0 92 0 - 8.9-11.4 HD3 LYS 20 - HG2 LYS 12 far 0 93 0 - 9.0-13.0 HG2 PRO 86 - HG2 LYS 20 far 0 94 0 - 9.3-12.5 HD2 LYS 12 - HG2 LYS 20 far 0 84 0 - 9.4-13.7 HG3 LYS 20 - HG2 LYS 12 far 0 93 0 - 9.5-13.8 HD3 LYS 90 - HG2 LYS 13 far 0 50 0 - 9.5-12.5 HG3 LYS 20 - HG2 LYS 13 far 0 62 0 - 9.7-12.3 HD3 LYS 12 - HG2 LYS 20 far 0 84 0 - 9.7-14.1 HB ILE 76 - HG3 LYS 53 far 0 67 0 - 9.7-11.1 HG12 ILE 15 - HG2 LYS 20 far 0 93 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 888 from cnoeabs.peaks (1.68, 1.46, 25.11 ppm; 2.42 A): 7 out of 40 assignments used, quality = 1.00: HG3 LYS 20 + HG2 LYS 20 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 53 + HG3 LYS 53 OK 86 92 100 94 2.2-2.4 3.0=54, 2451/3.0=27...(28) HD3 LYS 20 + HG2 LYS 20 OK 42 100 50 85 2.4-2.9 2.8=61, 5.3/848=10...(38) HD3 LYS 12 + HG2 LYS 12 OK 39 77 55 93 2.3-3.0 3.0=53, 3.0/463=22...(42) HD2 LYS 12 + HG2 LYS 12 OK 39 77 55 93 2.3-3.0 3.0=53, 3.0/463=22...(42) * HD2 LYS 20 + HG2 LYS 20 OK 30 100 35 87 2.2-3.0 2.8=61, 1.8/1729=10...(44) HD3 LYS 13 + HG2 LYS 13 OK 28 47 65 91 2.3-3.0 3.0=55, 2.9/474=8...(55) HD2 LYS 13 - HG2 LYS 13 poor 20 49 45 90 2.3-3.0 3.0=55, 2.9/474=8...(50) HB3 LYS 53 - HG2 LYS 53 far 0 96 0 - 2.9-3.0 HB2 LEU 2 - HG3 LYS 53 far 0 77 0 - 4.9-5.7 HD3 LYS 24 - HG2 LYS 20 far 0 93 0 - 5.3-10.4 HG12 ILE 15 - HG2 LYS 12 far 0 85 0 - 5.7-6.4 HB2 LEU 2 - HG2 LYS 53 far 0 82 0 - 5.7-6.5 HB ILE 52 - HG2 LYS 53 far 0 96 0 - 5.7-6.2 HB ILE 52 - HG3 LYS 53 far 0 92 0 - 5.7-6.4 HD2 LYS 24 - HG2 LYS 20 far 0 94 0 - 5.9-9.0 HG2 PRO 86 - HG2 LYS 13 far 0 56 0 - 5.9-8.2 HD3 LYS 90 - HG2 LYS 20 far 0 93 0 - 6.0-10.5 HD3 LYS 12 - HG2 LYS 13 far 0 49 0 - 6.9-8.9 HD2 LYS 13 - HG2 LYS 12 far 0 77 0 - 7.3-9.6 HD2 LYS 12 - HG2 LYS 13 far 0 49 0 - 7.4-9.5 HD3 LYS 13 - HG2 LYS 12 far 0 74 0 - 7.5-9.9 HD2 LYS 20 - HG2 LYS 13 far 0 62 0 - 7.9-10.6 HB3 ARG 79 - HG2 LYS 53 far 0 83 0 - 8.1-9.3 HD3 LYS 13 - HG2 LYS 20 far 0 85 0 - 8.1-13.0 HB ILE 76 - HG2 LYS 53 far 0 66 0 - 8.1-9.7 HB3 ARG 79 - HG3 LYS 53 far 0 78 0 - 8.3-10.0 HD3 LYS 20 - HG2 LYS 13 far 0 62 0 - 8.5-12.2 HD2 LYS 13 - HG2 LYS 20 far 0 88 0 - 8.7-13.4 HG12 ILE 15 - HG2 LYS 13 far 0 56 0 - 8.9-10.6 HD2 LYS 20 - HG2 LYS 12 far 0 93 0 - 8.9-11.4 HD3 LYS 20 - HG2 LYS 12 far 0 92 0 - 9.0-13.0 HG2 PRO 86 - HG2 LYS 20 far 0 96 0 - 9.3-12.5 HD2 LYS 12 - HG2 LYS 20 far 0 88 0 - 9.4-13.7 HG3 LYS 20 - HG2 LYS 12 far 0 92 0 - 9.5-13.8 HD3 LYS 90 - HG2 LYS 13 far 0 53 0 - 9.5-12.5 HG3 LYS 20 - HG2 LYS 13 far 0 62 0 - 9.7-12.3 HD3 LYS 12 - HG2 LYS 20 far 0 88 0 - 9.7-14.1 HB ILE 76 - HG3 LYS 53 far 0 62 0 - 9.7-11.1 HG12 ILE 15 - HG2 LYS 20 far 0 96 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 889 from cnoeabs.peaks (1.67, 1.46, 25.11 ppm; 2.42 A): 7 out of 40 assignments used, quality = 1.00: HG3 LYS 20 + HG2 LYS 20 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 53 + HG3 LYS 53 OK 85 90 100 94 2.2-2.4 3.0=54, 2451/3.0=27...(28) * HD3 LYS 20 + HG2 LYS 20 OK 42 100 50 85 2.4-2.9 2.8=61, 5.3/848=10...(38) HD3 LYS 12 + HG2 LYS 12 OK 37 73 55 93 2.3-3.0 3.0=53, 3.0/463=22...(42) HD2 LYS 12 + HG2 LYS 12 OK 37 73 55 92 2.3-3.0 3.0=53, 3.0/463=22...(42) HD2 LYS 20 + HG2 LYS 20 OK 30 100 35 87 2.2-3.0 2.8=61, 1.8/1729=10...(44) HD3 LYS 13 + HG2 LYS 13 OK 26 43 65 91 2.3-3.0 3.0=55, 2.9/474=8...(55) HD2 LYS 13 - HG2 LYS 13 poor 19 46 45 90 2.3-3.0 3.0=55, 2.9/474=8...(50) HB3 LYS 53 - HG2 LYS 53 far 0 95 0 - 2.9-3.0 HB2 LEU 2 - HG3 LYS 53 far 0 72 0 - 4.9-5.7 HD3 LYS 24 - HG2 LYS 20 far 0 90 0 - 5.3-10.4 HG12 ILE 15 - HG2 LYS 12 far 0 82 0 - 5.7-6.4 HB2 LEU 2 - HG2 LYS 53 far 0 77 0 - 5.7-6.5 HB ILE 52 - HG2 LYS 53 far 0 97 0 - 5.7-6.2 HB ILE 52 - HG3 LYS 53 far 0 93 0 - 5.7-6.4 HD2 LYS 24 - HG2 LYS 20 far 0 91 0 - 5.9-9.0 HG2 PRO 86 - HG2 LYS 13 far 0 54 0 - 5.9-8.2 HD3 LYS 90 - HG2 LYS 20 far 0 90 0 - 6.0-10.5 HD3 LYS 12 - HG2 LYS 13 far 0 46 0 - 6.9-8.9 HD2 LYS 13 - HG2 LYS 12 far 0 73 0 - 7.3-9.6 HD2 LYS 12 - HG2 LYS 13 far 0 46 0 - 7.4-9.5 HD3 LYS 13 - HG2 LYS 12 far 0 70 0 - 7.5-9.9 HD2 LYS 20 - HG2 LYS 13 far 0 62 0 - 7.9-10.6 HB3 ARG 79 - HG2 LYS 53 far 0 87 0 - 8.1-9.3 HD3 LYS 13 - HG2 LYS 20 far 0 81 0 - 8.1-13.0 HB ILE 76 - HG2 LYS 53 far 0 72 0 - 8.1-9.7 HB3 ARG 79 - HG3 LYS 53 far 0 82 0 - 8.3-10.0 HD3 LYS 20 - HG2 LYS 13 far 0 62 0 - 8.5-12.2 HD2 LYS 13 - HG2 LYS 20 far 0 84 0 - 8.7-13.4 HG12 ILE 15 - HG2 LYS 13 far 0 53 0 - 8.9-10.6 HD2 LYS 20 - HG2 LYS 12 far 0 92 0 - 8.9-11.4 HD3 LYS 20 - HG2 LYS 12 far 0 93 0 - 9.0-13.0 HG2 PRO 86 - HG2 LYS 20 far 0 94 0 - 9.3-12.5 HD2 LYS 12 - HG2 LYS 20 far 0 84 0 - 9.4-13.7 HG3 LYS 20 - HG2 LYS 12 far 0 93 0 - 9.5-13.8 HD3 LYS 90 - HG2 LYS 13 far 0 50 0 - 9.5-12.5 HG3 LYS 20 - HG2 LYS 13 far 0 62 0 - 9.7-12.3 HD3 LYS 12 - HG2 LYS 20 far 0 84 0 - 9.7-14.1 HB ILE 76 - HG3 LYS 53 far 0 67 0 - 9.7-11.1 HG12 ILE 15 - HG2 LYS 20 far 0 93 0 - 9.8-11.9 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 13 assignments used, quality = 1.00: * HE2 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.1-3.8 3.6=100 HE3 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.3-4.0 3.6=100 HB2 ASN 51 - HG3 LYS 53 far 0 60 0 - 5.0-6.1 HG2 MET 21 - HG2 LYS 20 far 0 81 0 - 5.3-8.7 HE3 LYS 90 - HG2 LYS 20 far 0 87 0 - 5.5-9.1 HB2 ASN 51 - HG2 LYS 53 far 0 64 0 - 5.6-6.4 HB2 ASN 10 - HG2 LYS 12 far 0 85 0 - 7.1-9.4 HE2 LYS 20 - HG2 LYS 12 far 0 93 0 - 7.6-13.4 HE3 LYS 20 - HG2 LYS 13 far 0 62 0 - 7.6-13.2 HE2 LYS 20 - HG2 LYS 13 far 0 62 0 - 8.4-11.8 HE3 LYS 20 - HG2 LYS 12 far 0 93 0 - 9.0-14.4 HE3 LYS 90 - HG2 LYS 13 far 0 48 0 - 9.6-12.1 HB2 ASN 10 - HG2 LYS 13 far 0 56 0 - 9.9-11.8 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 13 assignments used, quality = 1.00: HE2 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.1-3.8 3.6=100 * HE3 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.3-4.0 3.6=100 HB2 ASN 51 - HG3 LYS 53 far 0 62 0 - 5.0-6.1 HG2 MET 21 - HG2 LYS 20 far 0 82 0 - 5.3-8.7 HE3 LYS 90 - HG2 LYS 20 far 0 88 0 - 5.5-9.1 HB2 ASN 51 - HG2 LYS 53 far 0 66 0 - 5.6-6.4 HB2 ASN 10 - HG2 LYS 12 far 0 86 0 - 7.1-9.4 HE2 LYS 20 - HG2 LYS 12 far 0 93 0 - 7.6-13.4 HE3 LYS 20 - HG2 LYS 13 far 0 62 0 - 7.6-13.2 HE2 LYS 20 - HG2 LYS 13 far 0 62 0 - 8.4-11.8 HE3 LYS 20 - HG2 LYS 12 far 0 93 0 - 9.0-14.4 HE3 LYS 90 - HG2 LYS 13 far 0 49 0 - 9.6-12.1 HB2 ASN 10 - HG2 LYS 13 far 0 56 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 892 from cnoeabs.peaks (7.68, 1.46, 25.11 ppm; 6.11 A): 1 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...(10) HD22 ASN 51 - HG3 LYS 53 far 0 94 0 - 8.1-8.9 HD22 ASN 51 - HG2 LYS 53 far 0 97 0 - 8.1-9.4 H ALA 25 - HG2 LYS 20 far 0 84 0 - 8.2-9.8 H GLU 98 - HG3 LYS 53 far 0 69 0 - 10.0-11.4 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 1.9-3.9 6309/1.8=80, 871/3.0=68...(14) Violated in 1 structures by 0.00 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 16 + HG3 LYS 20 OK 62 100 75 83 3.2-6.7 ~12058=27, 916/2.8=24...(11) HA GLU 17 + HG3 LYS 20 OK 49 100 75 65 2.6-4.9 870/3.0=17, 916/2.8=17...(14) HA PRO 86 - HG3 LYS 20 far 0 61 0 - 9.0-11.1 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 5 assignments used, quality = 1.00: * HB2 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 19 - HG3 LYS 20 poor 20 100 20 - 4.0-6.7 HB2 LYS 12 - HG3 LYS 20 far 0 85 0 - 8.4-11.9 HB3 LYS 13 - HG3 LYS 20 far 0 85 0 - 9.2-10.5 HB3 LYS 12 - HG3 LYS 20 far 0 88 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 896 from cnoeabs.peaks (1.93, 1.67, 25.11 ppm; 3.76 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.2-2.7 3.0=100 HB3 ARG 19 + HG3 LYS 20 OK 37 100 75 49 3.0-5.8 4.1/893=41, 798/894=13 HB2 GLU 17 - HG3 LYS 20 far 0 100 0 - 4.7-7.3 HB2 LYS 24 - HG3 LYS 20 far 0 81 0 - 5.4-8.4 HB3 LYS 24 - HG3 LYS 20 far 0 81 0 - 6.7-10.1 HB3 LYS 13 - HG3 LYS 20 far 0 92 0 - 9.2-10.5 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 5 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 - 6.1-7.5 HG LEU 29 - HG3 LYS 20 far 0 90 0 - 9.5-11.8 HG2 LYS 12 - HG3 LYS 20 far 0 98 0 - 9.5-13.8 HG2 LYS 13 - HG3 LYS 20 far 0 82 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 898 from cnoeabs.peaks (1.67, 1.67, 25.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 20 + HG3 LYS 20 OK 100 100 - 100 Peak 899 from cnoeabs.peaks (1.68, 1.67, 25.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG3 LYS 20 + HG3 LYS 20 OK 100 100 - 100 Reference assignment not found: HD2 LYS 20 - HG3 LYS 20 Peak 900 from cnoeabs.peaks (1.67, 1.67, 25.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG3 LYS 20 + HG3 LYS 20 OK 100 100 - 100 Reference assignment not found: HD3 LYS 20 - HG3 LYS 20 Peak 901 from cnoeabs.peaks (2.91, 1.67, 25.11 ppm; 4.06 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.4-4.2 3.6=100 HE3 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.5-4.2 3.6=100 HE3 LYS 90 - HG3 LYS 20 far 0 87 0 - 4.9-8.9 HG2 MET 21 - HG3 LYS 20 far 0 81 0 - 4.9-8.3 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 4 assignments used, quality = 1.00: * HE3 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.5-4.2 3.6=100 HE2 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.4-4.2 3.6=100 HE3 LYS 90 - HG3 LYS 20 far 0 88 0 - 4.9-8.9 HG2 MET 21 - HG3 LYS 20 far 0 82 0 - 4.9-8.3 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 2.4-4.8 6325/3.0=99, 6324/3.0=97...(10) H ALA 25 - HG3 LYS 20 far 0 84 0 - 7.9-9.9 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 20 assignments used, quality = 1.00: * H LYS 20 + HD2 LYS 20 OK 100 100 100 100 2.6-4.3 6309/2.8=70, 893/2.8=66...(17) H LYS 20 + HD3 LYS 20 OK 85 100 85 100 1.9-4.6 6309/2.8=70, 893/2.8=66...(15) H SER 9 + HG12 ILE 15 OK 55 64 95 91 3.7-4.6 8436/2.1=57, 4.0/8320=31...(9) H LYS 66 - HD2 LYS 68 far 0 42 0 - 5.5-7.5 H LYS 20 - HD3 LYS 24 far 0 60 0 - 5.7-10.5 H LYS 66 - HD3 LYS 68 far 0 40 0 - 5.8-7.5 H LYS 20 - HD2 LYS 24 far 0 62 0 - 6.1-9.3 H LYS 20 - HD3 LYS 90 far 0 67 0 - 6.7-8.9 H TYR 41 - HD2 LYS 39 far 0 44 0 - 7.2-8.1 H SER 9 - HD2 LYS 12 far 0 62 0 - 7.2-10.7 H SER 9 - HD3 LYS 12 far 0 62 0 - 7.5-10.3 H VAL 78 - HD3 LYS 68 far 0 20 0 - 8.4-10.7 H LYS 20 - HG12 ILE 15 far 0 74 0 - 8.8-9.3 H VAL 78 - HD2 LYS 68 far 0 21 0 - 8.8-10.7 H LYS 20 - HD3 LYS 12 far 0 73 0 - 8.9-13.1 HE ARG 30 - HG12 ILE 15 far 0 74 0 - 9.1-14.5 H LYS 20 - HD2 LYS 12 far 0 73 0 - 9.2-12.3 H LYS 20 - HD3 LYS 13 far 0 53 0 - 9.2-12.6 H LYS 20 - HD2 LYS 13 far 0 57 0 - 9.3-13.0 HE ARG 30 - HD3 LYS 47 far 0 99 0 - 9.9-16.2 Violated in 0 structures by 0.00 A. Peak 905 from cnoeabs.peaks (4.05, 1.68, 29.19 ppm; 3.74 A): 4 out of 48 assignments used, quality = 0.92: HA GLU 16 + HD2 LYS 20 OK 67 100 80 83 3.3-4.6 3.0/12058=57, 850=23...(14) HA GLU 17 + HD2 LYS 20 OK 46 100 85 54 2.0-4.5 870/3.5=13, 894/2.8=13...(14) HA GLU 17 + HD3 LYS 20 OK 39 100 60 65 2.0-4.8 870/3.5=13, 894/2.8=13...(17) HA PRO 86 + HD3 LYS 90 OK 27 34 95 82 3.7-6.1 2.3/12146=19...(16) HA LYS 20 - HD3 LYS 20 far 10 100 10 - 2.4-5.5 ! HA LYS 20 - HD2 LYS 20 far 10 100 10 - 3.9-4.9 HA GLU 16 - HD3 LYS 20 far 5 99 5 - 3.1-5.8 HA LEU 70 - HD2 LYS 73 far 5 46 10 - 3.7-5.1 HA LYS 20 - HD2 LYS 24 far 3 62 5 - 4.0-7.9 HA LYS 20 - HD3 LYS 24 far 3 60 5 - 3.6-9.0 HA LEU 70 - HD3 LYS 73 far 0 44 0 - 4.1-5.4 HA LEU 70 - HD2 LYS 39 far 0 42 0 - 4.2-7.7 HA GLU 17 - HD3 LYS 90 far 0 67 0 - 4.2-6.1 HA GLU 16 - HD3 LYS 12 far 0 71 0 - 5.1-9.3 HA ARG 46 - HD2 LYS 47 far 0 87 0 - 5.2-8.0 HA GLU 16 - HD2 LYS 12 far 0 71 0 - 5.9-8.7 HA ARG 46 - HD3 LYS 47 far 0 87 0 - 6.2-7.9 HA GLU 16 - HG12 ILE 15 far 0 73 0 - 6.4-6.6 HA LYS 66 - HD2 LYS 68 far 0 32 0 - 6.5-7.7 HA GLU 17 - HD2 LYS 13 far 0 57 0 - 6.5-10.3 HA LYS 66 - HD3 LYS 68 far 0 30 0 - 6.6-7.8 HA GLU 16 - HD3 LYS 13 far 0 52 0 - 6.6-10.3 HA GLU 17 - HD3 LYS 13 far 0 53 0 - 6.7-10.1 HB2 SER 49 - HD2 LYS 47 far 0 98 0 - 7.0-11.2 HA PRO 86 - HG12 ILE 15 far 0 38 0 - 7.2-9.2 HA LYS 66 - HD2 LYS 73 far 0 54 0 - 7.3-9.9 HA GLU 16 - HD2 LYS 13 far 0 56 0 - 7.3-10.6 HA GLU 17 - HD3 LYS 24 far 0 60 0 - 7.4-10.9 HA LYS 66 - HD3 LYS 73 far 0 52 0 - 7.4-10.5 HA GLU 17 - HD2 LYS 24 far 0 62 0 - 7.5-10.2 HA GLU 95 - HB3 ARG 91 far 0 76 0 - 7.6-8.3 HA PRO 86 - HB3 ARG 91 far 0 58 0 - 7.9-8.3 HA PRO 86 - HD2 LYS 13 far 0 28 0 - 8.0-10.5 HA PRO 86 - HD2 LYS 20 far 0 61 0 - 8.2-10.4 HB3 SER 59 - HG12 ILE 15 far 0 68 0 - 8.2-9.6 HA PRO 86 - HD3 LYS 20 far 0 61 0 - 8.2-11.0 HA PRO 86 - HD3 LYS 13 far 0 26 0 - 8.2-10.5 HA LYS 66 - HD2 LYS 39 far 0 50 0 - 8.4-11.1 HA GLU 16 - HD3 LYS 90 far 0 66 0 - 8.4-10.8 HB2 SER 49 - HD3 LYS 47 far 0 98 0 - 8.7-11.2 HA GLU 17 - HG12 ILE 15 far 0 74 0 - 8.8-9.5 HA LYS 20 - HD3 LYS 90 far 0 67 0 - 8.8-10.3 HA GLU 17 - HD3 LYS 12 far 0 73 0 - 9.4-12.7 HA LEU 70 - HD2 LYS 68 far 0 26 0 - 9.4-10.1 HA GLU 16 - HD3 LYS 24 far 0 59 0 - 9.5-14.0 HA LEU 70 - HD3 LYS 68 far 0 25 0 - 9.5-10.2 HA GLU 16 - HD2 LYS 24 far 0 60 0 - 9.7-12.8 HA GLU 17 - HD2 LYS 12 far 0 73 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 906 from cnoeabs.peaks (1.89, 1.68, 29.19 ppm; 3.11 A): 11 out of 79 assignments used, quality = 0.99: HB2 LYS 20 + HD3 LYS 20 OK 68 100 70 97 2.1-3.9 3.5=68, ~848=15, ~883=15...(46) HB3 LYS 39 + HD2 LYS 39 OK 49 49 100 99 2.1-3.3 3.6=65, 1.8/1686=39...(37) HB3 LYS 47 + HD3 LYS 47 OK 45 65 70 99 2.4-4.2 3.9=49, 4.0/6774=12...(110) HB3 LYS 13 + HD2 LYS 13 OK 38 43 90 99 2.1-3.6 3.6=65, ~486=14, ~518=14...(80) HB3 LYS 12 + HD3 LYS 12 OK 29 58 50 99 2.4-3.9 3.6=65, 3.0/387=14...(72) HB2 LYS 12 + HD3 LYS 12 OK 27 55 50 99 2.1-3.7 3.6=65, 3.0/387=14...(68) HB3 LYS 68 + HD3 LYS 68 OK 27 36 75 99 2.3-3.7 3.5=70, 3014/3.0=17...(68) HB3 LYS 13 + HD3 LYS 13 OK 25 39 65 99 2.2-3.7 3.6=65, ~486=14...(79) HB2 LYS 12 + HD2 LYS 12 OK 25 55 45 99 2.2-4.2 3.6=65, ~463=14, ~464=14...(71) HB3 LYS 12 + HD2 LYS 12 OK 23 58 40 99 3.1-4.1 3.6=65, ~463=14, ~464=14...(72) HB3 LYS 68 + HD2 LYS 68 OK 22 38 60 99 2.4-3.7 3.5=70, 3014/3.0=17...(69) ! HB2 LYS 20 - HD2 LYS 20 far 15 100 15 - 2.4-4.0 HB3 LYS 47 - HD2 LYS 47 poor 13 65 20 - 2.7-3.7 HB2 LYS 13 - HD2 LYS 13 poor 12 40 30 - 2.5-4.1 HB2 LYS 13 - HD3 LYS 13 poor 9 37 25 - 2.7-4.2 HB3 LEU 14 - HG12 ILE 15 far 3 69 5 - 3.2-5.5 HB2 LYS 20 - HD3 LYS 24 far 3 60 5 - 3.2-9.6 HB2 ARG 19 - HD3 LYS 20 far 0 100 0 - 3.5-7.3 HB2 LYS 20 - HD2 LYS 24 far 0 62 0 - 3.7-8.3 HB2 ARG 19 - HD2 LYS 20 far 0 100 0 - 4.5-6.7 HB2 GLU 43 - HD3 LYS 47 far 0 92 0 - 4.6-7.3 HB3 LYS 12 - HD2 LYS 13 far 0 45 0 - 4.9-7.3 HB2 LYS 12 - HD2 LYS 13 far 0 43 0 - 4.9-7.5 HB2 GLU 43 - HD2 LYS 47 far 0 93 0 - 5.0-7.5 HB3 LYS 12 - HD3 LYS 13 far 0 41 0 - 5.0-7.4 HB2 LYS 12 - HD3 LYS 13 far 0 39 0 - 5.1-7.6 HB2 LYS 94 - HB3 ARG 91 far 0 68 0 - 5.6-7.8 HB3 LYS 39 - HD2 LYS 73 far 0 53 0 - 6.1-11.3 HB2 LYS 94 - HD3 LYS 24 far 0 36 0 - 6.4-10.7 HB2 LYS 12 - HG12 ILE 15 far 0 57 0 - 6.4-7.5 HB2 LYS 13 - HD3 LYS 12 far 0 53 0 - 6.6-8.0 HB3 LYS 12 - HG12 ILE 15 far 0 59 0 - 6.6-7.9 HB2 LYS 94 - HD2 LYS 24 far 0 37 0 - 6.7-11.3 HB2 LYS 13 - HG12 ILE 15 far 0 54 0 - 6.7-8.5 HB3 LEU 14 - HD3 LYS 12 far 0 68 0 - 6.7-8.5 HB3 LEU 14 - HD2 LYS 12 far 0 68 0 - 6.8-9.3 HB2 LYS 13 - HD2 LYS 12 far 0 53 0 - 6.8-8.8 HB3 LEU 14 - HD2 LYS 13 far 0 53 0 - 6.9-8.6 HG LEU 42 - HD2 LYS 39 far 0 67 0 - 7.1-8.3 HB ILE 8 - HG12 ILE 15 far 0 73 0 - 7.1-8.1 HB3 LYS 13 - HG12 ILE 15 far 0 57 0 - 7.3-9.3 HB3 LEU 14 - HD3 LYS 13 far 0 49 0 - 7.3-8.7 HB3 LYS 13 - HD3 LYS 90 far 0 51 0 - 7.5-10.1 HB2 GLU 43 - HD2 LYS 39 far 0 60 0 - 7.5-9.4 HB3 LYS 66 - HD2 LYS 68 far 0 30 0 - 7.6-9.3 HB2 LYS 12 - HD2 LYS 20 far 0 85 0 - 7.7-9.3 HB3 LYS 39 - HD3 LYS 73 far 0 51 0 - 7.7-11.6 HB2 LYS 20 - HD3 LYS 90 far 0 67 0 - 7.8-9.0 HB3 LYS 13 - HD2 LYS 20 far 0 85 0 - 7.8-9.2 HB2 ARG 19 - HD3 LYS 24 far 0 60 0 - 7.8-12.5 HB2 ARG 19 - HD2 LYS 24 far 0 61 0 - 7.8-11.5 HB2 ARG 19 - HD3 LYS 12 far 0 72 0 - 7.9-12.5 HB3 LEU 14 - HD3 LYS 90 far 0 62 0 - 8.0-11.0 HB3 LYS 66 - HD3 LYS 68 far 0 29 0 - 8.0-9.4 HB3 LYS 13 - HD3 LYS 20 far 0 85 0 - 8.0-10.6 HB3 LYS 13 - HD3 LYS 12 far 0 55 0 - 8.0-8.7 HB2 ARG 19 - HG12 ILE 15 far 0 74 0 - 8.0-8.9 HB3 LYS 33 - HG12 ILE 15 far 0 55 0 - 8.1-9.4 HB2 LYS 12 - HD3 LYS 20 far 0 85 0 - 8.1-10.2 HB3 LYS 13 - HD2 LYS 12 far 0 55 0 - 8.2-9.7 HB3 LYS 33 - HD2 LYS 12 far 0 54 0 - 8.3-12.1 HB2 ARG 19 - HD2 LYS 12 far 0 72 0 - 8.6-11.6 HB2 LYS 13 - HD3 LYS 90 far 0 48 0 - 8.7-11.4 HB3 LYS 33 - HD3 LYS 12 far 0 54 0 - 8.7-11.8 HB2 LYS 94 - HD3 LYS 90 far 0 41 0 - 8.8-10.7 HB2 LYS 13 - HD2 LYS 20 far 0 82 0 - 8.9-10.2 HB2 LYS 33 - HG12 ILE 15 far 0 53 0 - 9.1-10.7 HB3 LYS 12 - HD2 LYS 20 far 0 88 0 - 9.2-10.8 HB3 LYS 66 - HD2 LYS 39 far 0 48 0 - 9.2-11.3 HB2 LYS 13 - HD3 LYS 20 far 0 82 0 - 9.3-11.6 HG LEU 42 - HD2 LYS 73 far 0 72 0 - 9.3-12.5 HB2 LYS 20 - HD2 LYS 13 far 0 57 0 - 9.3-14.4 HB3 LEU 14 - HD2 LYS 20 far 0 98 0 - 9.4-10.8 HB2 LYS 20 - HD3 LYS 13 far 0 53 0 - 9.5-13.6 HB3 LYS 12 - HD3 LYS 20 far 0 88 0 - 9.7-11.8 HB2 LYS 33 - HD2 LYS 12 far 0 51 0 - 9.7-13.3 HB3 LEU 14 - HD3 LYS 20 far 0 97 0 - 9.8-12.0 HB2 GLU 43 - HD2 LYS 73 far 0 65 0 - 9.9-15.4 HB3 LYS 66 - HD2 LYS 73 far 0 52 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 907 from cnoeabs.peaks (1.93, 1.68, 29.19 ppm; 3.09 A): 15 out of 99 assignments used, quality = 1.00: HB3 LYS 20 + HD3 LYS 20 OK 68 100 70 97 2.0-3.9 3.5=67, ~848=15, ~883=15...(43) HB3 LYS 47 + HD3 LYS 47 OK 67 97 70 99 2.4-4.2 3.9=48, 2155/3.0=15...(110) * HB3 LYS 20 + HD2 LYS 20 OK 63 100 65 97 2.4-4.2 3.5=67, ~848=15, ~883=15...(49) HB2 GLU 17 + HD3 LYS 90 OK 58 66 95 93 2.0-4.4 1.8/10433=47...(23) HB2 LYS 47 + HD3 LYS 47 OK 46 67 70 99 2.7-3.7 3.9=48, 1.8/2153=15...(97) HB3 LYS 73 + HD3 LYS 73 OK 45 57 80 99 2.0-3.6 3.6=64, 3.0/3233=12...(101) HB3 LYS 13 + HD2 LYS 13 OK 42 47 90 99 2.1-3.6 3.6=64, 502/1.8=15...(80) HB2 LYS 24 + HD2 LYS 24 OK 36 43 85 99 2.1-3.7 3.6=65, ~1096=14...(97) HB2 LYS 47 + HD2 LYS 47 OK 30 67 45 99 2.2-3.8 3.9=48, 3.0/2175=13...(104) HB3 LYS 73 + HD2 LYS 73 OK 29 59 50 99 2.1-3.5 3.6=64, 3255/1.8=10...(105) HB3 LYS 13 + HD3 LYS 13 OK 28 44 65 99 2.2-3.7 3.6=64, 501/1.8=15...(79) HB3 LYS 24 + HD2 LYS 24 OK 27 43 65 99 2.3-3.9 3.6=65, ~1096=14...(92) HB2 LYS 24 + HD3 LYS 24 OK 27 41 65 99 2.1-4.2 3.6=65, ~1096=14...(99) HB3 LYS 24 + HD3 LYS 24 OK 25 41 60 99 2.2-4.1 3.6=65, ~1096=14...(94) HB2 LYS 73 + HD3 LYS 73 OK 22 56 40 99 2.9-4.0 3.6=64, 3.0/3233=12...(116) HB3 LYS 47 - HD2 LYS 47 poor 19 97 20 - 2.7-3.7 HB2 LYS 73 - HD2 LYS 73 poor 17 58 30 - 3.0-4.2 HB2 LYS 13 - HD2 LYS 13 poor 15 49 30 - 2.5-4.1 HB2 LYS 13 - HD3 LYS 13 poor 11 45 25 - 2.7-4.2 HB3 ARG 19 - HD3 LYS 20 far 10 100 10 - 2.5-6.4 HB3 LEU 14 - HG12 ILE 15 far 2 47 5 - 3.2-5.5 HB3 ARG 46 - HD2 LYS 47 far 0 83 0 - 3.5-7.4 HB3 LYS 20 - HD3 LYS 24 far 0 60 0 - 3.5-9.0 HB3 ARG 19 - HD2 LYS 20 far 0 100 0 - 3.5-5.5 HB3 ARG 46 - HD3 LYS 47 far 0 82 0 - 3.9-7.2 HB2 GLU 17 - HD3 LYS 20 far 0 99 0 - 3.9-7.4 HB3 LYS 20 - HD2 LYS 24 far 0 62 0 - 4.4-7.6 HB3 MET 74 - HD2 LYS 73 far 0 52 0 - 4.4-8.7 HB2 GLU 17 - HD2 LYS 20 far 0 100 0 - 4.6-7.1 HB2 GLU 43 - HD3 LYS 47 far 0 78 0 - 4.6-7.3 HB2 GLU 43 - HD2 LYS 47 far 0 78 0 - 5.0-7.5 HB3 MET 74 - HD3 LYS 73 far 0 50 0 - 5.1-8.8 HB2 LYS 73 - HD2 LYS 39 far 0 54 0 - 5.3-10.6 HB2 LYS 94 - HB3 ARG 91 far 0 96 0 - 5.6-7.8 HG3 GLU 88 - HB3 ARG 91 far 0 97 0 - 6.1-6.8 HB3 LYS 73 - HD2 LYS 39 far 0 55 0 - 6.1-10.4 HB3 LYS 20 - HD3 LYS 90 far 0 67 0 - 6.2-8.9 HB3 MET 74 - HD2 LYS 39 far 0 48 0 - 6.2-8.8 HB2 LYS 94 - HD3 LYS 24 far 0 56 0 - 6.4-10.7 HB2 LYS 13 - HD3 LYS 12 far 0 63 0 - 6.6-8.0 HB2 LYS 94 - HD2 LYS 24 far 0 58 0 - 6.7-11.3 HB2 LYS 13 - HG12 ILE 15 far 0 65 0 - 6.7-8.5 HB3 LEU 14 - HD3 LYS 12 far 0 46 0 - 6.7-8.5 HB3 LEU 14 - HD2 LYS 12 far 0 46 0 - 6.8-9.3 HB2 LYS 13 - HD2 LYS 12 far 0 63 0 - 6.8-8.8 HB3 LEU 14 - HD2 LYS 13 far 0 35 0 - 6.9-8.6 HB3 ARG 19 - HG12 ILE 15 far 0 74 0 - 6.9-7.9 HB3 ARG 19 - HD3 LYS 12 far 0 72 0 - 7.0-11.6 HB2 GLU 17 - HD2 LYS 13 far 0 56 0 - 7.0-10.2 HG LEU 42 - HD2 LYS 39 far 0 35 0 - 7.1-8.3 HB ILE 8 - HG12 ILE 15 far 0 37 0 - 7.1-8.1 HB2 GLU 17 - HD3 LYS 13 far 0 52 0 - 7.2-10.2 HB3 LYS 13 - HG12 ILE 15 far 0 63 0 - 7.3-9.3 HG3 GLU 88 - HD3 LYS 90 far 0 65 0 - 7.3-8.9 HB3 LEU 14 - HD3 LYS 13 far 0 32 0 - 7.3-8.7 HB2 LYS 24 - HD3 LYS 20 far 0 80 0 - 7.3-9.9 HB3 LYS 13 - HD3 LYS 90 far 0 56 0 - 7.5-10.1 HB2 GLU 43 - HD2 LYS 39 far 0 48 0 - 7.5-9.4 HB VAL 32 - HG12 ILE 15 far 0 73 0 - 7.6-9.2 HB3 ARG 19 - HD2 LYS 12 far 0 72 0 - 7.7-10.7 HB3 LYS 13 - HD2 LYS 20 far 0 92 0 - 7.8-9.2 HB3 LEU 14 - HD3 LYS 90 far 0 42 0 - 8.0-11.0 HB3 LYS 13 - HD3 LYS 20 far 0 91 0 - 8.0-10.6 HB3 LYS 13 - HD3 LYS 12 far 0 61 0 - 8.0-8.7 HB3 ARG 19 - HD3 LYS 24 far 0 59 0 - 8.0-12.6 HB3 LYS 33 - HG12 ILE 15 far 0 64 0 - 8.1-9.4 HB2 LYS 24 - HD2 LYS 20 far 0 81 0 - 8.1-9.8 HB3 ARG 19 - HD2 LYS 24 far 0 61 0 - 8.1-11.4 HB3 LYS 13 - HD2 LYS 12 far 0 61 0 - 8.2-9.7 HB3 LYS 33 - HD2 LYS 12 far 0 62 0 - 8.3-12.1 HB2 GLU 17 - HD3 LYS 24 far 0 59 0 - 8.5-11.6 HB3 ARG 19 - HD3 LYS 90 far 0 66 0 - 8.6-10.9 HB2 GLU 17 - HB3 ARG 91 far 0 98 0 - 8.7-9.5 HB2 LYS 13 - HD3 LYS 90 far 0 58 0 - 8.7-11.4 HB3 LYS 33 - HD3 LYS 12 far 0 62 0 - 8.7-11.8 HB2 GLU 17 - HD2 LYS 24 far 0 60 0 - 8.8-11.8 HB2 LYS 94 - HD3 LYS 90 far 0 63 0 - 8.8-10.7 HB2 GLU 17 - HG12 ILE 15 far 0 73 0 - 8.8-9.6 HB2 LYS 13 - HD2 LYS 20 far 0 94 0 - 8.9-10.2 HB3 ARG 19 - HD3 LYS 13 far 0 52 0 - 8.9-12.8 HB3 LYS 24 - HD3 LYS 20 far 0 80 0 - 9.0-11.2 HB2 LYS 33 - HG12 ILE 15 far 0 66 0 - 9.1-10.7 HB3 LYS 24 - HD2 LYS 20 far 0 81 0 - 9.1-11.3 HB3 LYS 20 - HD3 LYS 13 far 0 53 0 - 9.1-12.9 HB3 LYS 20 - HD2 LYS 13 far 0 57 0 - 9.2-14.4 HB3 ARG 19 - HD2 LYS 13 far 0 56 0 - 9.2-12.9 HB2 LYS 13 - HD3 LYS 20 far 0 94 0 - 9.3-11.6 HG LEU 42 - HD2 LYS 73 far 0 38 0 - 9.3-12.5 HB3 LEU 14 - HD2 LYS 20 far 0 73 0 - 9.4-10.8 HB2 LYS 24 - HD3 LYS 90 far 0 47 0 - 9.4-10.6 HB2 LYS 73 - HD3 LYS 68 far 0 32 0 - 9.5-12.0 HB3 MET 74 - HD2 LYS 47 far 0 78 0 - 9.7-13.9 HB2 LYS 33 - HD2 LYS 12 far 0 64 0 - 9.7-13.3 HB3 ARG 46 - HD2 LYS 39 far 0 51 0 - 9.8-11.3 HB3 LEU 14 - HD3 LYS 20 far 0 73 0 - 9.8-12.0 HB3 ARG 46 - HD2 LYS 73 far 0 56 0 - 9.9-14.7 HB2 GLU 43 - HD2 LYS 73 far 0 52 0 - 9.9-15.4 HB2 LYS 73 - HD2 LYS 68 far 0 34 0 - 9.9-12.0 HB3 MET 74 - HD3 LYS 47 far 0 78 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 908 from cnoeabs.peaks (1.46, 1.68, 29.19 ppm; 2.44 A): 11 out of 78 assignments used, quality = 1.00: HB2 ARG 91 + HB3 ARG 91 OK 76 76 100 100 1.8-1.8 1.8=100 HG2 LYS 47 + HD3 LYS 47 OK 61 67 100 91 2.3-2.6 3.0=56, 1.8/2175=8...(61) HG3 ARG 91 + HB3 ARG 91 OK 48 98 60 82 2.3-3.0 2.8=63, 4.8/7443=13...(9) HG2 LYS 20 + HD3 LYS 20 OK 46 100 55 84 2.4-2.9 2.8=63, 848/5.3=10...(34) * HG2 LYS 20 + HD2 LYS 20 OK 39 100 45 86 2.2-3.0 2.8=63, 848/5.3=10...(37) HG2 LYS 12 + HD3 LYS 12 OK 35 68 55 93 2.3-3.0 3.0=55, 463/3.0=22...(50) HG2 LYS 12 + HD2 LYS 12 OK 35 68 55 93 2.3-3.0 3.0=55, 463/3.0=22...(50) HG2 LYS 47 + HD2 LYS 47 OK 33 67 55 90 2.3-3.0 3.0=56, 1.8/2175=13...(62) HG3 LYS 39 + HD2 LYS 39 OK 29 61 50 96 2.5-3.0 3.0=56, 1720/1.8=36...(39) HG2 LYS 73 + HD2 LYS 73 OK 26 42 70 88 2.3-3.0 3.0=57, 1.8/3278=9...(57) HG2 LYS 13 + HD3 LYS 13 OK 22 37 65 91 2.3-3.0 3.0=57, 474/2.9=8...(51) HG2 LYS 73 - HD3 LYS 73 poor 19 40 55 86 2.4-3.0 3.0=57, 1.8/3278=10...(50) HG2 LYS 13 - HD2 LYS 13 poor 18 40 45 - 2.3-3.0 HG LEU 64 - HD2 LYS 68 poor 9 34 25 - 2.2-5.1 HG LEU 64 - HD3 LYS 68 far 2 32 5 - 2.3-5.0 HG2 LYS 73 - HD2 LYS 39 far 0 39 0 - 4.8-9.7 HG12 ILE 7 - HG12 ILE 15 far 0 46 0 - 5.0-5.8 HB3 LEU 64 - HD2 LYS 68 far 0 26 0 - 5.1-8.1 HB3 LEU 64 - HD3 LYS 68 far 0 24 0 - 5.2-7.9 HG2 LYS 20 - HD3 LYS 24 far 0 60 0 - 5.3-10.4 HB2 LEU 38 - HD2 LYS 39 far 0 68 0 - 5.5-8.2 HG3 LYS 39 - HD2 LYS 73 far 0 66 0 - 5.6-10.3 HG2 LYS 12 - HG12 ILE 15 far 0 70 0 - 5.7-6.4 QB ALA 22 - HD3 LYS 20 far 0 89 0 - 5.8-8.6 HG2 LYS 20 - HD2 LYS 24 far 0 62 0 - 5.9-9.0 QB ALA 22 - HD2 LYS 24 far 0 49 0 - 5.9-7.9 HG2 LYS 20 - HD3 LYS 90 far 0 67 0 - 6.0-10.5 HB2 ARG 91 - HD3 LYS 90 far 0 46 0 - 6.1-7.4 QB ALA 22 - HD3 LYS 24 far 0 48 0 - 6.2-8.6 HG3 LYS 39 - HD3 LYS 73 far 0 63 0 - 6.6-11.1 QB ALA 22 - HD2 LYS 20 far 0 90 0 - 6.8-8.7 HG2 LYS 13 - HD3 LYS 12 far 0 53 0 - 6.9-8.9 HG2 LYS 12 - HD2 LYS 13 far 0 53 0 - 7.3-9.6 HG2 LYS 13 - HD2 LYS 12 far 0 53 0 - 7.4-9.5 HG LEU 38 - HD2 LYS 39 far 0 68 0 - 7.4-9.1 HG2 LYS 12 - HD3 LYS 13 far 0 49 0 - 7.5-9.9 HG2 LYS 66 - HD2 LYS 68 far 0 25 0 - 7.5-9.4 HG LEU 29 - HG12 ILE 15 far 0 60 0 - 7.6-9.0 HD2 LYS 82 - HD3 LYS 68 far 0 42 0 - 7.6-10.5 HG2 LYS 66 - HD3 LYS 68 far 0 24 0 - 7.6-9.5 HG13 ILE 76 - HD2 LYS 73 far 0 60 0 - 7.9-12.0 HD2 LYS 82 - HD2 LYS 68 far 0 44 0 - 7.9-10.6 HG13 ILE 76 - HD2 LYS 47 far 0 88 0 - 7.9-11.4 HG2 LYS 13 - HD2 LYS 20 far 0 82 0 - 7.9-10.6 HD2 LYS 40 - HD2 LYS 39 far 0 67 0 - 7.9-10.4 HG2 LYS 20 - HD3 LYS 13 far 0 53 0 - 8.1-13.0 QB ALA 22 - HD3 LYS 90 far 0 54 0 - 8.3-9.6 HG3 ARG 91 - HD3 LYS 90 far 0 66 0 - 8.3-9.8 HG13 ILE 76 - HD3 LYS 73 far 0 58 0 - 8.4-12.1 HG2 LYS 13 - HD3 LYS 20 far 0 82 0 - 8.5-12.2 HD3 LYS 40 - HD2 LYS 39 far 0 66 0 - 8.5-11.4 QB ALA 22 - HG12 ILE 15 far 0 60 0 - 8.5-9.5 HG13 ILE 76 - HD3 LYS 47 far 0 88 0 - 8.7-11.2 HG13 ILE 52 - HD3 LYS 47 far 0 99 0 - 8.7-11.3 HG2 LYS 20 - HD2 LYS 13 far 0 57 0 - 8.7-13.4 HB2 LEU 27 - HD2 LYS 24 far 0 62 0 - 8.8-11.3 HG2 LYS 13 - HG12 ILE 15 far 0 54 0 - 8.9-10.6 HG2 LYS 12 - HD2 LYS 20 far 0 98 0 - 8.9-11.4 HG12 ILE 7 - HD3 LYS 90 far 0 41 0 - 9.0-11.4 HG2 LYS 12 - HD3 LYS 20 far 0 98 0 - 9.0-13.0 HG3 LYS 66 - HD2 LYS 68 far 0 23 0 - 9.0-10.8 HG2 LYS 73 - HD2 LYS 68 far 0 24 0 - 9.2-11.6 HG3 LYS 66 - HD3 LYS 68 far 0 22 0 - 9.2-10.9 HB2 LEU 38 - HD2 LYS 73 far 0 73 0 - 9.3-12.7 HG LEU 29 - HD3 LYS 20 far 0 89 0 - 9.3-12.8 HG13 ILE 76 - HD2 LYS 39 far 0 56 0 - 9.4-11.7 HG2 LYS 66 - HD2 LYS 73 far 0 43 0 - 9.4-12.9 HB2 LEU 27 - HD3 LYS 24 far 0 60 0 - 9.4-11.8 HG2 LYS 20 - HD2 LYS 12 far 0 73 0 - 9.4-13.7 HG2 LYS 73 - HD3 LYS 68 far 0 23 0 - 9.5-11.1 HG2 LYS 13 - HD3 LYS 90 far 0 48 0 - 9.5-12.5 HG3 LYS 66 - HD2 LYS 39 far 0 37 0 - 9.5-11.7 HG3 LYS 66 - HD2 LYS 73 far 0 40 0 - 9.6-12.5 HG2 LYS 20 - HD3 LYS 12 far 0 73 0 - 9.7-14.1 HG LEU 38 - HD2 LYS 68 far 0 44 0 - 9.8-11.4 HG LEU 38 - HD3 LYS 68 far 0 42 0 - 9.8-11.2 HG2 LYS 20 - HG12 ILE 15 far 0 74 0 - 9.8-11.9 HG2 LYS 66 - HD3 LYS 73 far 0 42 0 - 9.9-13.4 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 73 assignments used, quality = 1.00: * HE2 LYS 20 + HD2 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 2.3-3.0 3.0=100 HE2 LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 90 + HD3 LYS 90 OK 52 52 100 100 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 2.3-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 43 43 100 100 2.3-3.0 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 2.4-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 42 42 100 100 2.5-3.0 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 2.5-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 35 35 100 100 2.3-3.0 3.0=100 HE2 LYS 73 - HD2 LYS 39 far 0 33 0 - 3.9-12.4 HE3 LYS 73 - HD2 LYS 39 far 0 40 0 - 4.0-12.2 HE3 LYS 94 - HD3 LYS 24 far 0 60 0 - 4.1-12.4 HG2 MET 21 - HD3 LYS 90 far 0 47 0 - 4.2-5.4 HE3 LYS 20 - HD3 LYS 24 far 0 60 0 - 4.4-10.9 HE3 LYS 90 - HD3 LYS 20 far 0 86 0 - 4.4-8.4 HE3 LYS 94 - HB3 ARG 91 far 0 99 0 - 4.4-10.1 HE2 LYS 20 - HD3 LYS 90 far 0 67 0 - 4.7-10.7 HG2 MET 21 - HD3 LYS 24 far 0 41 0 - 5.1-8.0 HE2 LYS 94 - HB3 ARG 91 far 0 97 0 - 5.1-10.1 HE3 LYS 94 - HD2 LYS 24 far 0 62 0 - 5.2-13.3 HE3 LYS 20 - HD2 LYS 24 far 0 62 0 - 5.2-9.9 HE2 LYS 20 - HD3 LYS 24 far 0 60 0 - 5.3-10.5 HG2 MET 21 - HD2 LYS 24 far 0 43 0 - 5.5-8.4 HE3 LYS 90 - HD2 LYS 20 far 0 87 0 - 5.6-8.5 HE2 LYS 94 - HD3 LYS 24 far 0 58 0 - 5.7-12.3 HE3 LYS 39 - HD2 LYS 73 far 0 42 0 - 5.8-9.6 HB2 ASN 10 - HD2 LYS 12 far 0 65 0 - 5.9-11.0 HG2 MET 21 - HD3 LYS 20 far 0 80 0 - 6.0-9.1 HE3 LYS 20 - HD3 LYS 90 far 0 67 0 - 6.2-10.3 HE3 LYS 20 - HD3 LYS 13 far 0 53 0 - 6.3-10.9 HE2 LYS 20 - HD2 LYS 24 far 0 62 0 - 6.4-10.6 HB2 ASN 10 - HD3 LYS 12 far 0 65 0 - 6.4-10.1 HE3 LYS 66 - HD2 LYS 68 far 0 42 0 - 6.5-11.8 HE3 LYS 39 - HD3 LYS 73 far 0 40 0 - 6.7-10.3 HE3 LYS 66 - HD3 LYS 68 far 0 40 0 - 6.8-11.8 HE3 LYS 66 - HD2 LYS 73 far 0 69 0 - 6.9-12.4 HG2 MET 21 - HB3 ARG 91 far 0 77 0 - 6.9-7.5 HG2 MET 21 - HD2 LYS 20 far 0 81 0 - 6.9-9.4 HE2 LYS 94 - HD2 LYS 24 far 0 60 0 - 6.9-12.9 HE3 LYS 20 - HD2 LYS 13 far 0 57 0 - 7.0-11.8 HE3 LYS 90 - HD2 LYS 24 far 0 47 0 - 7.1-11.6 HE2 LYS 20 - HD2 LYS 13 far 0 57 0 - 7.1-12.4 HE2 LYS 66 - HD2 LYS 39 far 0 60 0 - 7.1-12.9 HB2 ASN 10 - HG12 ILE 15 far 0 67 0 - 7.1-8.1 HE2 LYS 66 - HD2 LYS 73 far 0 65 0 - 7.1-12.5 HE3 LYS 66 - HD3 LYS 73 far 0 67 0 - 7.2-13.1 HE3 LYS 90 - HD3 LYS 24 far 0 46 0 - 7.3-10.7 HE2 LYS 20 - HD3 LYS 13 far 0 53 0 - 7.3-12.0 HE3 LYS 90 - HB3 ARG 91 far 0 84 0 - 7.4-8.9 HE2 LYS 66 - HD3 LYS 73 far 0 62 0 - 7.4-13.0 HE2 LYS 66 - HD3 LYS 68 far 0 37 0 - 7.5-11.5 HE3 LYS 90 - HD2 LYS 13 far 0 44 0 - 7.7-13.0 HE2 LYS 66 - HD2 LYS 68 far 0 38 0 - 7.8-11.6 HE3 LYS 66 - HD2 LYS 39 far 0 65 0 - 7.9-13.4 HE3 LYS 90 - HD3 LYS 13 far 0 40 0 - 8.0-12.7 HE3 LYS 94 - HD3 LYS 90 far 0 67 0 - 8.2-13.0 HE2 LYS 20 - HD2 LYS 12 far 0 73 0 - 8.6-14.3 HE2 LYS 94 - HD3 LYS 90 far 0 65 0 - 9.0-13.0 HE2 LYS 20 - HD3 LYS 12 far 0 73 0 - 9.2-14.5 HE3 LYS 20 - HD2 LYS 12 far 0 73 0 - 9.3-14.9 HE3 LYS 73 - HD3 LYS 68 far 0 24 0 - 9.3-14.2 HE2 LYS 20 - HG12 ILE 15 far 0 74 0 - 9.5-12.8 HE3 LYS 73 - HD2 LYS 68 far 0 25 0 - 9.5-14.4 HE3 LYS 68 - HD3 LYS 73 far 0 70 0 - 9.6-14.5 HE3 LYS 20 - HD3 LYS 12 far 0 73 0 - 9.6-14.1 HE2 LYS 73 - HD2 LYS 68 far 0 20 0 - 9.7-14.6 HE3 LYS 68 - HD2 LYS 73 far 0 73 0 - 9.9-14.4 HB2 ASN 10 - HD2 LYS 13 far 0 51 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 913 from cnoeabs.peaks (2.91, 1.68, 29.19 ppm; 3.09 A): 14 out of 73 assignments used, quality = 1.00: * HE3 LYS 20 + HD2 LYS 20 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 20 + HD2 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 2.2-3.0 3.0=100 HE2 LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 90 + HD3 LYS 90 OK 53 53 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 45 45 100 100 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 2.3-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 43 43 100 100 2.5-3.0 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 2.4-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 38 38 100 100 2.5-3.0 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 2.3-3.0 3.0=100 HE2 LYS 73 - HD2 LYS 39 far 0 35 0 - 3.9-12.4 HE3 LYS 73 - HD2 LYS 39 far 0 41 0 - 4.0-12.2 HE3 LYS 94 - HD3 LYS 24 far 0 60 0 - 4.1-12.4 HG2 MET 21 - HD3 LYS 90 far 0 48 0 - 4.2-5.4 HE3 LYS 20 - HD3 LYS 24 far 0 60 0 - 4.4-10.9 HE3 LYS 90 - HD3 LYS 20 far 0 88 0 - 4.4-8.4 HE3 LYS 94 - HB3 ARG 91 far 0 99 0 - 4.4-10.1 HE2 LYS 20 - HD3 LYS 90 far 0 67 0 - 4.7-10.7 HG2 MET 21 - HD3 LYS 24 far 0 43 0 - 5.1-8.0 HE2 LYS 94 - HB3 ARG 91 far 0 98 0 - 5.1-10.1 HE3 LYS 94 - HD2 LYS 24 far 0 62 0 - 5.2-13.3 HE3 LYS 20 - HD2 LYS 24 far 0 62 0 - 5.2-9.9 HE2 LYS 20 - HD3 LYS 24 far 0 60 0 - 5.3-10.5 HG2 MET 21 - HD2 LYS 24 far 0 44 0 - 5.5-8.4 HE3 LYS 90 - HD2 LYS 20 far 0 88 0 - 5.6-8.5 HE2 LYS 94 - HD3 LYS 24 far 0 59 0 - 5.7-12.3 HE3 LYS 39 - HD2 LYS 73 far 0 40 0 - 5.8-9.6 HB2 ASN 10 - HD2 LYS 12 far 0 66 0 - 5.9-11.0 HG2 MET 21 - HD3 LYS 20 far 0 82 0 - 6.0-9.1 HE3 LYS 20 - HD3 LYS 90 far 0 67 0 - 6.2-10.3 HE3 LYS 20 - HD3 LYS 13 far 0 53 0 - 6.3-10.9 HE2 LYS 20 - HD2 LYS 24 far 0 62 0 - 6.4-10.6 HB2 ASN 10 - HD3 LYS 12 far 0 66 0 - 6.4-10.1 HE3 LYS 66 - HD2 LYS 68 far 0 41 0 - 6.5-11.8 HE3 LYS 39 - HD3 LYS 73 far 0 39 0 - 6.7-10.3 HE3 LYS 66 - HD3 LYS 68 far 0 39 0 - 6.8-11.8 HE3 LYS 66 - HD2 LYS 73 far 0 69 0 - 6.9-12.4 HG2 MET 21 - HB3 ARG 91 far 0 79 0 - 6.9-7.5 HG2 MET 21 - HD2 LYS 20 far 0 82 0 - 6.9-9.4 HE2 LYS 94 - HD2 LYS 24 far 0 60 0 - 6.9-12.9 HE3 LYS 20 - HD2 LYS 13 far 0 57 0 - 7.0-11.8 HE3 LYS 90 - HD2 LYS 24 far 0 48 0 - 7.1-11.6 HE2 LYS 20 - HD2 LYS 13 far 0 57 0 - 7.1-12.4 HE2 LYS 66 - HD2 LYS 39 far 0 59 0 - 7.1-12.9 HB2 ASN 10 - HG12 ILE 15 far 0 68 0 - 7.1-8.1 HE2 LYS 66 - HD2 LYS 73 far 0 64 0 - 7.1-12.5 HE3 LYS 66 - HD3 LYS 73 far 0 67 0 - 7.2-13.1 HE3 LYS 90 - HD3 LYS 24 far 0 47 0 - 7.3-10.7 HE2 LYS 20 - HD3 LYS 13 far 0 53 0 - 7.3-12.0 HE3 LYS 90 - HB3 ARG 91 far 0 85 0 - 7.4-8.9 HE2 LYS 66 - HD3 LYS 73 far 0 62 0 - 7.4-13.0 HE2 LYS 66 - HD3 LYS 68 far 0 36 0 - 7.5-11.5 HE3 LYS 90 - HD2 LYS 13 far 0 45 0 - 7.7-13.0 HE2 LYS 66 - HD2 LYS 68 far 0 38 0 - 7.8-11.6 HE3 LYS 66 - HD2 LYS 39 far 0 64 0 - 7.9-13.4 HE3 LYS 90 - HD3 LYS 13 far 0 41 0 - 8.0-12.7 HE3 LYS 94 - HD3 LYS 90 far 0 67 0 - 8.2-13.0 HE2 LYS 20 - HD2 LYS 12 far 0 73 0 - 8.6-14.3 HE2 LYS 94 - HD3 LYS 90 far 0 66 0 - 9.0-13.0 HE2 LYS 20 - HD3 LYS 12 far 0 73 0 - 9.2-14.5 HE3 LYS 20 - HD2 LYS 12 far 0 73 0 - 9.3-14.9 HE3 LYS 73 - HD3 LYS 68 far 0 24 0 - 9.3-14.2 HE2 LYS 20 - HG12 ILE 15 far 0 74 0 - 9.5-12.8 HE3 LYS 73 - HD2 LYS 68 far 0 26 0 - 9.5-14.4 HE3 LYS 68 - HD3 LYS 73 far 0 70 0 - 9.6-14.5 HE3 LYS 20 - HD3 LYS 12 far 0 73 0 - 9.6-14.1 HE2 LYS 73 - HD2 LYS 68 far 0 21 0 - 9.7-14.6 HE3 LYS 68 - HD2 LYS 73 far 0 72 0 - 9.9-14.4 HB2 ASN 10 - HD2 LYS 13 far 0 51 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 914 from cnoeabs.peaks (7.68, 1.68, 29.19 ppm; 5.70 A increased from 5.07 A): 5 out of 14 assignments used, quality = 1.00: H MET 21 + HD3 LYS 20 OK 100 100 100 100 3.8-5.9 6325/3.5=94, 6324/3.5=90...(11) * H MET 21 + HD2 LYS 20 OK 95 100 95 100 4.2-6.2 6325/3.5=94, 6324/3.5=90...(10) H ALA 25 + HD2 LYS 24 OK 37 45 85 98 4.6-6.5 6402/3.0=61, 6400/3.6=55...(8) H MET 21 + HD2 LYS 24 OK 35 62 65 87 4.2-6.8 3.0/8564=50, ~8564=28...(7) H ALA 25 + HD3 LYS 24 OK 28 44 65 98 5.0-6.7 6402/3.0=61, 6400/3.6=55...(8) H MET 21 - HD3 LYS 24 poor 19 60 35 89 4.5-8.1 ~11063=46, ~8564=39...(7) H MET 21 - HD3 LYS 90 far 3 67 5 - 5.9-7.1 H LEU 64 - HD2 LYS 68 far 0 26 0 - 6.0-8.8 H LEU 64 - HD3 LYS 68 far 0 24 0 - 6.3-8.7 H SER 85 - HD3 LYS 90 far 0 67 0 - 8.0-9.9 H SER 85 - HB3 ARG 91 far 0 98 0 - 8.6-9.2 H GLU 98 - HD3 LYS 24 far 0 40 0 - 9.0-13.9 H ALA 25 - HD3 LYS 20 far 0 83 0 - 9.0-11.5 H SER 85 - HG12 ILE 15 far 0 74 0 - 9.6-11.3 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 20 assignments used, quality = 1.00: H LYS 20 + HD2 LYS 20 OK 100 100 100 100 2.6-4.3 6309/2.8=70, 893/2.8=66...(17) * H LYS 20 + HD3 LYS 20 OK 85 100 85 100 1.9-4.6 6309/2.8=70, 893/2.8=66...(15) H SER 9 + HG12 ILE 15 OK 49 59 95 89 3.7-4.6 8436/2.1=57...(8) H LYS 66 - HD2 LYS 68 far 0 47 0 - 5.5-7.5 H LYS 20 - HD3 LYS 24 far 0 54 0 - 5.7-10.5 H LYS 66 - HD3 LYS 68 far 0 46 0 - 5.8-7.5 H LYS 20 - HD2 LYS 24 far 0 56 0 - 6.1-9.3 H LYS 20 - HD3 LYS 90 far 0 61 0 - 6.7-8.9 H TYR 41 - HD2 LYS 39 far 0 49 0 - 7.2-8.1 H SER 9 - HD2 LYS 12 far 0 55 0 - 7.2-10.7 H SER 9 - HD3 LYS 12 far 0 55 0 - 7.5-10.3 H VAL 78 - HD3 LYS 68 far 0 23 0 - 8.4-10.7 H LYS 20 - HG12 ILE 15 far 0 69 0 - 8.8-9.3 H VAL 78 - HD2 LYS 68 far 0 24 0 - 8.8-10.7 H LYS 20 - HD3 LYS 12 far 0 65 0 - 8.9-13.1 HE ARG 30 - HG12 ILE 15 far 0 69 0 - 9.1-14.5 H LYS 20 - HD2 LYS 12 far 0 65 0 - 9.2-12.3 H LYS 20 - HD3 LYS 13 far 0 46 0 - 9.2-12.6 H LYS 20 - HD2 LYS 13 far 0 51 0 - 9.3-13.0 HE ARG 30 - HD3 LYS 47 far 0 98 0 - 9.9-16.2 Violated in 0 structures by 0.00 A. Peak 916 from cnoeabs.peaks (4.05, 1.67, 29.19 ppm; 3.74 A): 4 out of 48 assignments used, quality = 0.91: HA GLU 16 + HD2 LYS 20 OK 66 99 80 83 3.3-4.6 3.0/12058=57, 850=23...(14) HA GLU 17 + HD2 LYS 20 OK 45 100 85 53 2.0-4.5 870/3.5=13, 894/2.8=13...(14) HA GLU 17 + HD3 LYS 20 OK 39 100 60 65 2.0-4.8 870/3.5=13, 894/2.8=13...(17) HA PRO 86 + HD3 LYS 90 OK 24 30 95 82 3.7-6.1 2.3/12146=18...(16) ! HA LYS 20 - HD3 LYS 20 far 10 100 10 - 2.4-5.5 HA LYS 20 - HD2 LYS 20 far 10 100 10 - 3.9-4.9 HA GLU 16 - HD3 LYS 20 far 5 100 5 - 3.1-5.8 HA LEU 70 - HD2 LYS 73 far 5 48 10 - 3.7-5.1 HA LYS 20 - HD2 LYS 24 far 3 56 5 - 4.0-7.9 HA LYS 20 - HD3 LYS 24 far 3 54 5 - 3.6-9.0 HA LEU 70 - HD3 LYS 73 far 0 47 0 - 4.1-5.4 HA LEU 70 - HD2 LYS 39 far 0 47 0 - 4.2-7.7 HA GLU 17 - HD3 LYS 90 far 0 61 0 - 4.2-6.1 HA GLU 16 - HD3 LYS 12 far 0 64 0 - 5.1-9.3 HA ARG 46 - HD2 LYS 47 far 0 86 0 - 5.2-8.0 HA GLU 16 - HD2 LYS 12 far 0 64 0 - 5.9-8.7 HA ARG 46 - HD3 LYS 47 far 0 85 0 - 6.2-7.9 HA GLU 16 - HG12 ILE 15 far 0 67 0 - 6.4-6.6 HA LYS 66 - HD2 LYS 68 far 0 36 0 - 6.5-7.7 HA GLU 17 - HD2 LYS 13 far 0 51 0 - 6.5-10.3 HA LYS 66 - HD3 LYS 68 far 0 34 0 - 6.6-7.8 HA GLU 16 - HD3 LYS 13 far 0 45 0 - 6.6-10.3 HA GLU 17 - HD3 LYS 13 far 0 46 0 - 6.7-10.1 HB2 SER 49 - HD2 LYS 47 far 0 98 0 - 7.0-11.2 HA PRO 86 - HG12 ILE 15 far 0 35 0 - 7.2-9.2 HA LYS 66 - HD2 LYS 73 far 0 57 0 - 7.3-9.9 HA GLU 16 - HD2 LYS 13 far 0 49 0 - 7.3-10.6 HA GLU 17 - HD3 LYS 24 far 0 54 0 - 7.4-10.9 HA LYS 66 - HD3 LYS 73 far 0 55 0 - 7.4-10.5 HA GLU 17 - HD2 LYS 24 far 0 56 0 - 7.5-10.2 HA GLU 95 - HB3 ARG 91 far 0 73 0 - 7.6-8.3 HA PRO 86 - HB3 ARG 91 far 0 57 0 - 7.9-8.3 HA PRO 86 - HD2 LYS 13 far 0 25 0 - 8.0-10.5 HA PRO 86 - HD2 LYS 20 far 0 61 0 - 8.2-10.4 HB3 SER 59 - HG12 ILE 15 far 0 62 0 - 8.2-9.6 HA PRO 86 - HD3 LYS 20 far 0 61 0 - 8.2-11.0 HA PRO 86 - HD3 LYS 13 far 0 22 0 - 8.2-10.5 HA LYS 66 - HD2 LYS 39 far 0 56 0 - 8.4-11.1 HA GLU 16 - HD3 LYS 90 far 0 60 0 - 8.4-10.8 HB2 SER 49 - HD3 LYS 47 far 0 97 0 - 8.7-11.2 HA GLU 17 - HG12 ILE 15 far 0 69 0 - 8.8-9.5 HA LYS 20 - HD3 LYS 90 far 0 61 0 - 8.8-10.3 HA GLU 17 - HD3 LYS 12 far 0 65 0 - 9.4-12.7 HA LEU 70 - HD2 LYS 68 far 0 30 0 - 9.4-10.1 HA GLU 16 - HD3 LYS 24 far 0 53 0 - 9.5-14.0 HA LEU 70 - HD3 LYS 68 far 0 29 0 - 9.5-10.2 HA GLU 16 - HD2 LYS 24 far 0 55 0 - 9.7-12.8 HA GLU 17 - HD2 LYS 12 far 0 65 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 917 from cnoeabs.peaks (1.89, 1.67, 29.19 ppm; 3.11 A): 11 out of 79 assignments used, quality = 0.99: * HB2 LYS 20 + HD3 LYS 20 OK 68 100 70 97 2.1-3.9 3.5=68, ~848=15, ~883=15...(46) HB3 LYS 39 + HD2 LYS 39 OK 54 54 100 99 2.1-3.3 3.6=65, 1.8/1686=41...(37) HB3 LYS 47 + HD3 LYS 47 OK 44 63 70 99 2.4-4.2 3.9=49, 3.0/3267=12...(110) HB3 LYS 13 + HD2 LYS 13 OK 33 37 90 99 2.1-3.6 3.6=65, ~486=14, ~518=14...(80) HB3 LYS 68 + HD3 LYS 68 OK 30 41 75 99 2.3-3.7 3.5=70, 3014/3.0=17...(68) HB3 LYS 12 + HD3 LYS 12 OK 25 51 50 99 2.4-3.9 3.6=65, ~463=14, ~464=14...(72) HB3 LYS 68 + HD2 LYS 68 OK 25 43 60 99 2.4-3.7 3.5=70, 3014/3.0=17...(69) HB2 LYS 12 + HD3 LYS 12 OK 24 49 50 99 2.1-3.7 3.6=65, ~463=14, ~464=14...(68) HB3 LYS 13 + HD3 LYS 13 OK 22 34 65 99 2.2-3.7 3.6=65, ~486=14, ~518=14...(79) HB2 LYS 12 + HD2 LYS 12 OK 22 49 45 99 2.2-4.2 3.6=65, ~463=14, ~464=14...(71) HB3 LYS 12 + HD2 LYS 12 OK 20 51 40 99 3.1-4.1 3.6=65, ~463=14, ~464=14...(72) HB2 LYS 20 - HD2 LYS 20 far 15 100 15 - 2.4-4.0 HB3 LYS 47 - HD2 LYS 47 poor 13 64 20 - 2.7-3.7 HB2 LYS 13 - HD2 LYS 13 poor 11 36 30 - 2.5-4.1 HB2 LYS 13 - HD3 LYS 13 poor 8 32 25 - 2.7-4.2 HB3 LEU 14 - HG12 ILE 15 far 3 64 5 - 3.2-5.5 HB2 LYS 20 - HD3 LYS 24 far 3 54 5 - 3.2-9.6 HB2 ARG 19 - HD3 LYS 20 far 0 100 0 - 3.5-7.3 HB2 LYS 20 - HD2 LYS 24 far 0 56 0 - 3.7-8.3 HB2 ARG 19 - HD2 LYS 20 far 0 100 0 - 4.5-6.7 HB2 GLU 43 - HD3 LYS 47 far 0 91 0 - 4.6-7.3 HB3 LYS 12 - HD2 LYS 13 far 0 39 0 - 4.9-7.3 HB2 LYS 12 - HD2 LYS 13 far 0 37 0 - 4.9-7.5 HB2 GLU 43 - HD2 LYS 47 far 0 91 0 - 5.0-7.5 HB3 LYS 12 - HD3 LYS 13 far 0 36 0 - 5.0-7.4 HB2 LYS 12 - HD3 LYS 13 far 0 34 0 - 5.1-7.6 HB2 LYS 94 - HB3 ARG 91 far 0 66 0 - 5.6-7.8 HB3 LYS 39 - HD2 LYS 73 far 0 55 0 - 6.1-11.3 HB2 LYS 94 - HD3 LYS 24 far 0 32 0 - 6.4-10.7 HB2 LYS 12 - HG12 ILE 15 far 0 52 0 - 6.4-7.5 HB2 LYS 13 - HD3 LYS 12 far 0 47 0 - 6.6-8.0 HB3 LYS 12 - HG12 ILE 15 far 0 54 0 - 6.6-7.9 HB2 LYS 94 - HD2 LYS 24 far 0 33 0 - 6.7-11.3 HB2 LYS 13 - HG12 ILE 15 far 0 50 0 - 6.7-8.5 HB3 LEU 14 - HD3 LYS 12 far 0 60 0 - 6.7-8.5 HB3 LEU 14 - HD2 LYS 12 far 0 60 0 - 6.8-9.3 HB2 LYS 13 - HD2 LYS 12 far 0 47 0 - 6.8-8.8 HB3 LEU 14 - HD2 LYS 13 far 0 47 0 - 6.9-8.6 HG LEU 42 - HD2 LYS 39 far 0 73 0 - 7.1-8.3 HB ILE 8 - HG12 ILE 15 far 0 68 0 - 7.1-8.1 HB3 LYS 13 - HG12 ILE 15 far 0 52 0 - 7.3-9.3 HB3 LEU 14 - HD3 LYS 13 far 0 43 0 - 7.3-8.7 HB3 LYS 13 - HD3 LYS 90 far 0 46 0 - 7.5-10.1 HB2 GLU 43 - HD2 LYS 39 far 0 66 0 - 7.5-9.4 HB3 LYS 66 - HD2 LYS 68 far 0 34 0 - 7.6-9.3 HB2 LYS 12 - HD2 LYS 20 far 0 85 0 - 7.7-9.3 HB3 LYS 39 - HD3 LYS 73 far 0 54 0 - 7.7-11.6 HB2 LYS 20 - HD3 LYS 90 far 0 61 0 - 7.8-9.0 HB3 LYS 13 - HD2 LYS 20 far 0 85 0 - 7.8-9.2 HB2 ARG 19 - HD3 LYS 24 far 0 54 0 - 7.8-12.5 HB2 ARG 19 - HD2 LYS 24 far 0 56 0 - 7.8-11.5 HB2 ARG 19 - HD3 LYS 12 far 0 65 0 - 7.9-12.5 HB3 LEU 14 - HD3 LYS 90 far 0 57 0 - 8.0-11.0 HB3 LYS 66 - HD3 LYS 68 far 0 33 0 - 8.0-9.4 HB3 LYS 13 - HD3 LYS 20 far 0 85 0 - 8.0-10.6 HB3 LYS 13 - HD3 LYS 12 far 0 49 0 - 8.0-8.7 HB2 ARG 19 - HG12 ILE 15 far 0 69 0 - 8.0-8.9 HB3 LYS 33 - HG12 ILE 15 far 0 51 0 - 8.1-9.4 HB2 LYS 12 - HD3 LYS 20 far 0 85 0 - 8.1-10.2 HB3 LYS 13 - HD2 LYS 12 far 0 49 0 - 8.2-9.7 HB3 LYS 33 - HD2 LYS 12 far 0 48 0 - 8.3-12.1 HB2 ARG 19 - HD2 LYS 12 far 0 65 0 - 8.6-11.6 HB2 LYS 13 - HD3 LYS 90 far 0 43 0 - 8.7-11.4 HB3 LYS 33 - HD3 LYS 12 far 0 48 0 - 8.7-11.8 HB2 LYS 94 - HD3 LYS 90 far 0 36 0 - 8.8-10.7 HB2 LYS 13 - HD2 LYS 20 far 0 82 0 - 8.9-10.2 HB2 LYS 33 - HG12 ILE 15 far 0 48 0 - 9.1-10.7 HB3 LYS 12 - HD2 LYS 20 far 0 88 0 - 9.2-10.8 HB3 LYS 66 - HD2 LYS 39 far 0 53 0 - 9.2-11.3 HB2 LYS 13 - HD3 LYS 20 far 0 82 0 - 9.3-11.6 HG LEU 42 - HD2 LYS 73 far 0 74 0 - 9.3-12.5 HB2 LYS 20 - HD2 LYS 13 far 0 51 0 - 9.3-14.4 HB3 LEU 14 - HD2 LYS 20 far 0 97 0 - 9.4-10.8 HB2 LYS 20 - HD3 LYS 13 far 0 46 0 - 9.5-13.6 HB3 LYS 12 - HD3 LYS 20 far 0 88 0 - 9.7-11.8 HB2 LYS 33 - HD2 LYS 12 far 0 45 0 - 9.7-13.3 HB3 LEU 14 - HD3 LYS 20 far 0 98 0 - 9.8-12.0 HB2 GLU 43 - HD2 LYS 73 far 0 67 0 - 9.9-15.4 HB3 LYS 66 - HD2 LYS 73 far 0 54 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 918 from cnoeabs.peaks (1.93, 1.67, 29.19 ppm; 3.09 A): 15 out of 99 assignments used, quality = 1.00: * HB3 LYS 20 + HD3 LYS 20 OK 68 100 70 97 2.0-3.9 3.5=67, ~848=15, ~883=15...(43) HB3 LYS 47 + HD3 LYS 47 OK 67 96 70 99 2.4-4.2 3.9=48, 2155/3.0=15...(110) HB3 LYS 20 + HD2 LYS 20 OK 63 100 65 97 2.4-4.2 3.5=67, ~848=15, ~883=15...(49) HB2 GLU 17 + HD3 LYS 90 OK 52 60 95 92 2.0-4.4 1.8/10433=45...(23) HB3 LYS 73 + HD3 LYS 73 OK 48 60 80 99 2.0-3.6 3.6=64, 3.0/3233=12...(101) HB2 LYS 47 + HD3 LYS 47 OK 45 65 70 99 2.7-3.7 3.9=48, 1.8/2153=15...(97) HB3 LYS 13 + HD2 LYS 13 OK 37 42 90 99 2.1-3.6 3.6=64, 502/1.8=15...(80) HB2 LYS 24 + HD2 LYS 24 OK 32 39 85 99 2.1-3.7 3.6=65, ~1096=14...(97) HB3 LYS 73 + HD2 LYS 73 OK 31 62 50 99 2.1-3.5 3.6=64, 3255/1.8=10...(105) HB2 LYS 47 + HD2 LYS 47 OK 29 66 45 99 2.2-3.8 3.9=48, 3.0/2175=13...(104) HB3 LYS 24 + HD2 LYS 24 OK 25 39 65 98 2.3-3.9 3.6=65, ~1096=14...(92) HB3 LYS 13 + HD3 LYS 13 OK 25 38 65 99 2.2-3.7 3.6=64, 501/1.8=15...(79) HB2 LYS 24 + HD3 LYS 24 OK 24 37 65 99 2.1-4.2 3.6=65, ~1096=14...(99) HB2 LYS 73 + HD3 LYS 73 OK 23 59 40 99 2.9-4.0 3.6=64, 3.0/3233=12...(116) HB3 LYS 24 + HD3 LYS 24 OK 22 37 60 99 2.2-4.1 3.6=65, ~1096=14...(94) HB3 LYS 47 - HD2 LYS 47 poor 19 96 20 - 2.7-3.7 HB2 LYS 73 - HD2 LYS 73 poor 18 61 30 - 3.0-4.2 HB2 LYS 13 - HD2 LYS 13 poor 13 43 30 - 2.5-4.1 HB3 ARG 19 - HD3 LYS 20 far 10 100 10 - 2.5-6.4 HB2 LYS 13 - HD3 LYS 13 poor 10 39 25 - 2.7-4.2 HB3 LEU 14 - HG12 ILE 15 far 2 43 5 - 3.2-5.5 HB3 ARG 46 - HD2 LYS 47 far 0 81 0 - 3.5-7.4 HB3 LYS 20 - HD3 LYS 24 far 0 54 0 - 3.5-9.0 HB3 ARG 19 - HD2 LYS 20 far 0 100 0 - 3.5-5.5 HB3 ARG 46 - HD3 LYS 47 far 0 81 0 - 3.9-7.2 HB2 GLU 17 - HD3 LYS 20 far 0 100 0 - 3.9-7.4 HB3 LYS 20 - HD2 LYS 24 far 0 56 0 - 4.4-7.6 HB3 MET 74 - HD2 LYS 73 far 0 54 0 - 4.4-8.7 HB2 GLU 17 - HD2 LYS 20 far 0 99 0 - 4.6-7.1 HB2 GLU 43 - HD3 LYS 47 far 0 76 0 - 4.6-7.3 HB2 GLU 43 - HD2 LYS 47 far 0 77 0 - 5.0-7.5 HB3 MET 74 - HD3 LYS 73 far 0 53 0 - 5.1-8.8 HB2 LYS 73 - HD2 LYS 39 far 0 60 0 - 5.3-10.6 HB2 LYS 94 - HB3 ARG 91 far 0 94 0 - 5.6-7.8 HG3 GLU 88 - HB3 ARG 91 far 0 96 0 - 6.1-6.8 HB3 LYS 73 - HD2 LYS 39 far 0 61 0 - 6.1-10.4 HB3 LYS 20 - HD3 LYS 90 far 0 61 0 - 6.2-8.9 HB3 MET 74 - HD2 LYS 39 far 0 53 0 - 6.2-8.8 HB2 LYS 94 - HD3 LYS 24 far 0 51 0 - 6.4-10.7 HB2 LYS 13 - HD3 LYS 12 far 0 56 0 - 6.6-8.0 HB2 LYS 94 - HD2 LYS 24 far 0 53 0 - 6.7-11.3 HB2 LYS 13 - HG12 ILE 15 far 0 60 0 - 6.7-8.5 HB3 LEU 14 - HD3 LYS 12 far 0 40 0 - 6.7-8.5 HB3 LEU 14 - HD2 LYS 12 far 0 40 0 - 6.8-9.3 HB2 LYS 13 - HD2 LYS 12 far 0 56 0 - 6.8-8.8 HB3 LEU 14 - HD2 LYS 13 far 0 31 0 - 6.9-8.6 HB3 ARG 19 - HG12 ILE 15 far 0 68 0 - 6.9-7.9 HB3 ARG 19 - HD3 LYS 12 far 0 64 0 - 7.0-11.6 HB2 GLU 17 - HD2 LYS 13 far 0 49 0 - 7.0-10.2 HG LEU 42 - HD2 LYS 39 far 0 39 0 - 7.1-8.3 HB ILE 8 - HG12 ILE 15 far 0 34 0 - 7.1-8.1 HB2 GLU 17 - HD3 LYS 13 far 0 45 0 - 7.2-10.2 HB3 LYS 13 - HG12 ILE 15 far 0 58 0 - 7.3-9.3 HG3 GLU 88 - HD3 LYS 90 far 0 59 0 - 7.3-8.9 HB3 LEU 14 - HD3 LYS 13 far 0 28 0 - 7.3-8.7 HB2 LYS 24 - HD3 LYS 20 far 0 81 0 - 7.3-9.9 HB3 LYS 13 - HD3 LYS 90 far 0 51 0 - 7.5-10.1 HB2 GLU 43 - HD2 LYS 39 far 0 53 0 - 7.5-9.4 HB VAL 32 - HG12 ILE 15 far 0 68 0 - 7.6-9.2 HB3 ARG 19 - HD2 LYS 12 far 0 64 0 - 7.7-10.7 HB3 LYS 13 - HD2 LYS 20 far 0 91 0 - 7.8-9.2 HB3 LEU 14 - HD3 LYS 90 far 0 38 0 - 8.0-11.0 HB3 LYS 13 - HD3 LYS 20 far 0 92 0 - 8.0-10.6 HB3 LYS 13 - HD3 LYS 12 far 0 54 0 - 8.0-8.7 HB3 ARG 19 - HD3 LYS 24 far 0 54 0 - 8.0-12.6 HB3 LYS 33 - HG12 ILE 15 far 0 59 0 - 8.1-9.4 HB2 LYS 24 - HD2 LYS 20 far 0 80 0 - 8.1-9.8 HB3 ARG 19 - HD2 LYS 24 far 0 56 0 - 8.1-11.4 HB3 LYS 13 - HD2 LYS 12 far 0 54 0 - 8.2-9.7 HB3 LYS 33 - HD2 LYS 12 far 0 55 0 - 8.3-12.1 HB2 GLU 17 - HD3 LYS 24 far 0 53 0 - 8.5-11.6 HB3 ARG 19 - HD3 LYS 90 far 0 60 0 - 8.6-10.9 HB2 GLU 17 - HB3 ARG 91 far 0 96 0 - 8.7-9.5 HB2 LYS 13 - HD3 LYS 90 far 0 53 0 - 8.7-11.4 HB3 LYS 33 - HD3 LYS 12 far 0 55 0 - 8.7-11.8 HB2 GLU 17 - HD2 LYS 24 far 0 55 0 - 8.8-11.8 HB2 LYS 94 - HD3 LYS 90 far 0 57 0 - 8.8-10.7 HB2 GLU 17 - HG12 ILE 15 far 0 67 0 - 8.8-9.6 HB2 LYS 13 - HD2 LYS 20 far 0 94 0 - 8.9-10.2 HB3 ARG 19 - HD3 LYS 13 far 0 46 0 - 8.9-12.8 HB3 LYS 24 - HD3 LYS 20 far 0 81 0 - 9.0-11.2 HB2 LYS 33 - HG12 ILE 15 far 0 61 0 - 9.1-10.7 HB3 LYS 24 - HD2 LYS 20 far 0 80 0 - 9.1-11.3 HB3 LYS 20 - HD3 LYS 13 far 0 46 0 - 9.1-12.9 HB3 LYS 20 - HD2 LYS 13 far 0 51 0 - 9.2-14.4 HB3 ARG 19 - HD2 LYS 13 far 0 50 0 - 9.2-12.9 HB2 LYS 13 - HD3 LYS 20 far 0 94 0 - 9.3-11.6 HG LEU 42 - HD2 LYS 73 far 0 39 0 - 9.3-12.5 HB3 LEU 14 - HD2 LYS 20 far 0 73 0 - 9.4-10.8 HB2 LYS 24 - HD3 LYS 90 far 0 42 0 - 9.4-10.6 HB2 LYS 73 - HD3 LYS 68 far 0 37 0 - 9.5-12.0 HB3 MET 74 - HD2 LYS 47 far 0 77 0 - 9.7-13.9 HB2 LYS 33 - HD2 LYS 12 far 0 57 0 - 9.7-13.3 HB3 ARG 46 - HD2 LYS 39 far 0 57 0 - 9.8-11.3 HB3 LEU 14 - HD3 LYS 20 far 0 73 0 - 9.8-12.0 HB3 ARG 46 - HD2 LYS 73 far 0 58 0 - 9.9-14.7 HB2 GLU 43 - HD2 LYS 73 far 0 54 0 - 9.9-15.4 HB2 LYS 73 - HD2 LYS 68 far 0 39 0 - 9.9-12.0 HB3 MET 74 - HD3 LYS 47 far 0 76 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 919 from cnoeabs.peaks (1.46, 1.67, 29.19 ppm; 2.44 A): 11 out of 78 assignments used, quality = 1.00: HB2 ARG 91 + HB3 ARG 91 OK 73 73 100 100 1.8-1.8 1.8=100 HG2 LYS 47 + HD3 LYS 47 OK 59 65 100 91 2.3-2.6 3.0=56, 1.8/2175=8...(61) HG3 ARG 91 + HB3 ARG 91 OK 48 97 60 82 2.3-3.0 2.8=63, 4.8/7443=13...(9) * HG2 LYS 20 + HD3 LYS 20 OK 46 100 55 84 2.4-2.9 2.8=63, 848/5.3=10...(34) HG2 LYS 20 + HD2 LYS 20 OK 38 100 45 86 2.2-3.0 2.8=63, 848/5.3=10...(37) HG2 LYS 47 + HD2 LYS 47 OK 32 66 55 90 2.3-3.0 3.0=56, 1.8/2175=13...(62) HG3 LYS 39 + HD2 LYS 39 OK 32 67 50 96 2.5-3.0 3.0=56, 1720/1.8=36...(39) HG2 LYS 12 + HD3 LYS 12 OK 31 61 55 93 2.3-3.0 3.0=55, 463/3.0=22...(50) HG2 LYS 12 + HD2 LYS 12 OK 31 61 55 93 2.3-3.0 3.0=55, 463/3.0=22...(50) HG2 LYS 73 + HD2 LYS 73 OK 27 44 70 88 2.3-3.0 3.0=57, 1.8/3278=9...(57) HG2 LYS 73 + HD3 LYS 73 OK 20 43 55 86 2.4-3.0 3.0=57, 1.8/3278=10...(50) HG2 LYS 13 - HD3 LYS 13 poor 19 32 65 91 2.3-3.0 3.0=57, 474/2.9=8...(51) HG2 LYS 13 - HD2 LYS 13 poor 16 36 45 - 2.3-3.0 HG LEU 64 - HD2 LYS 68 poor 10 39 25 - 2.2-5.1 HG LEU 64 - HD3 LYS 68 far 2 37 5 - 2.3-5.0 HG2 LYS 73 - HD2 LYS 39 far 0 43 0 - 4.8-9.7 HG12 ILE 7 - HG12 ILE 15 far 0 42 0 - 5.0-5.8 HB3 LEU 64 - HD2 LYS 68 far 0 29 0 - 5.1-8.1 HB3 LEU 64 - HD3 LYS 68 far 0 28 0 - 5.2-7.9 HG2 LYS 20 - HD3 LYS 24 far 0 54 0 - 5.3-10.4 HB2 LEU 38 - HD2 LYS 39 far 0 75 0 - 5.5-8.2 HG3 LYS 39 - HD2 LYS 73 far 0 68 0 - 5.6-10.3 HG2 LYS 12 - HG12 ILE 15 far 0 65 0 - 5.7-6.4 QB ALA 22 - HD3 LYS 20 far 0 90 0 - 5.8-8.6 HG2 LYS 20 - HD2 LYS 24 far 0 56 0 - 5.9-9.0 QB ALA 22 - HD2 LYS 24 far 0 45 0 - 5.9-7.9 HG2 LYS 20 - HD3 LYS 90 far 0 61 0 - 6.0-10.5 HB2 ARG 91 - HD3 LYS 90 far 0 41 0 - 6.1-7.4 QB ALA 22 - HD3 LYS 24 far 0 43 0 - 6.2-8.6 HG3 LYS 39 - HD3 LYS 73 far 0 67 0 - 6.6-11.1 QB ALA 22 - HD2 LYS 20 far 0 89 0 - 6.8-8.7 HG2 LYS 13 - HD3 LYS 12 far 0 47 0 - 6.9-8.9 HG2 LYS 12 - HD2 LYS 13 far 0 47 0 - 7.3-9.6 HG2 LYS 13 - HD2 LYS 12 far 0 47 0 - 7.4-9.5 HG LEU 38 - HD2 LYS 39 far 0 75 0 - 7.4-9.1 HG2 LYS 12 - HD3 LYS 13 far 0 43 0 - 7.5-9.9 HG2 LYS 66 - HD2 LYS 68 far 0 28 0 - 7.5-9.4 HG LEU 29 - HG12 ILE 15 far 0 56 0 - 7.6-9.0 HD2 LYS 82 - HD3 LYS 68 far 0 48 0 - 7.6-10.5 HG2 LYS 66 - HD3 LYS 68 far 0 27 0 - 7.6-9.5 HG13 ILE 76 - HD2 LYS 73 far 0 63 0 - 7.9-12.0 HD2 LYS 82 - HD2 LYS 68 far 0 50 0 - 7.9-10.6 HG13 ILE 76 - HD2 LYS 47 far 0 87 0 - 7.9-11.4 HG2 LYS 13 - HD2 LYS 20 far 0 82 0 - 7.9-10.6 HD2 LYS 40 - HD2 LYS 39 far 0 73 0 - 7.9-10.4 HG2 LYS 20 - HD3 LYS 13 far 0 46 0 - 8.1-13.0 QB ALA 22 - HD3 LYS 90 far 0 49 0 - 8.3-9.6 HG3 ARG 91 - HD3 LYS 90 far 0 60 0 - 8.3-9.8 HG13 ILE 76 - HD3 LYS 73 far 0 61 0 - 8.4-12.1 HG2 LYS 13 - HD3 LYS 20 far 0 82 0 - 8.5-12.2 HD3 LYS 40 - HD2 LYS 39 far 0 73 0 - 8.5-11.4 QB ALA 22 - HG12 ILE 15 far 0 56 0 - 8.5-9.5 HG13 ILE 76 - HD3 LYS 47 far 0 86 0 - 8.7-11.2 HG13 ILE 52 - HD3 LYS 47 far 0 98 0 - 8.7-11.3 HG2 LYS 20 - HD2 LYS 13 far 0 51 0 - 8.7-13.4 HB2 LEU 27 - HD2 LYS 24 far 0 56 0 - 8.8-11.3 HG2 LYS 13 - HG12 ILE 15 far 0 50 0 - 8.9-10.6 HG2 LYS 12 - HD2 LYS 20 far 0 98 0 - 8.9-11.4 HG12 ILE 7 - HD3 LYS 90 far 0 36 0 - 9.0-11.4 HG2 LYS 12 - HD3 LYS 20 far 0 98 0 - 9.0-13.0 HG3 LYS 66 - HD2 LYS 68 far 0 26 0 - 9.0-10.8 HG2 LYS 73 - HD2 LYS 68 far 0 27 0 - 9.2-11.6 HG3 LYS 66 - HD3 LYS 68 far 0 25 0 - 9.2-10.9 HB2 LEU 38 - HD2 LYS 73 far 0 76 0 - 9.3-12.7 HG LEU 29 - HD3 LYS 20 far 0 90 0 - 9.3-12.8 HG13 ILE 76 - HD2 LYS 39 far 0 62 0 - 9.4-11.7 HG2 LYS 66 - HD2 LYS 73 far 0 45 0 - 9.4-12.9 HB2 LEU 27 - HD3 LYS 24 far 0 54 0 - 9.4-11.8 HG2 LYS 20 - HD2 LYS 12 far 0 65 0 - 9.4-13.7 HG2 LYS 73 - HD3 LYS 68 far 0 26 0 - 9.5-11.1 HG2 LYS 13 - HD3 LYS 90 far 0 43 0 - 9.5-12.5 HG3 LYS 66 - HD2 LYS 39 far 0 42 0 - 9.5-11.7 HG3 LYS 66 - HD2 LYS 73 far 0 42 0 - 9.6-12.5 HG2 LYS 20 - HD3 LYS 12 far 0 65 0 - 9.7-14.1 HG LEU 38 - HD2 LYS 68 far 0 50 0 - 9.8-11.4 HG LEU 38 - HD3 LYS 68 far 0 48 0 - 9.8-11.2 HG2 LYS 20 - HG12 ILE 15 far 0 69 0 - 9.8-11.9 HG2 LYS 66 - HD3 LYS 73 far 0 44 0 - 9.9-13.4 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 73 assignments used, quality = 1.00: * HE2 LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 20 + HD2 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 2.3-3.0 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 2.3-3.0 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 48 48 100 100 2.4-3.0 3.0=100 HE3 LYS 90 + HD3 LYS 90 OK 47 47 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 45 45 100 100 2.3-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 44 44 100 100 2.5-3.0 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 2.5-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 37 37 100 100 2.3-3.0 3.0=100 HE2 LYS 73 - HD2 LYS 39 far 0 37 0 - 3.9-12.4 HE3 LYS 73 - HD2 LYS 39 far 0 45 0 - 4.0-12.2 HE3 LYS 94 - HD3 LYS 24 far 0 54 0 - 4.1-12.4 HG2 MET 21 - HD3 LYS 90 far 0 42 0 - 4.2-5.4 HE3 LYS 20 - HD3 LYS 24 far 0 54 0 - 4.4-10.9 HE3 LYS 90 - HD3 LYS 20 far 0 87 0 - 4.4-8.4 HE3 LYS 94 - HB3 ARG 91 far 0 97 0 - 4.4-10.1 HE2 LYS 20 - HD3 LYS 90 far 0 61 0 - 4.7-10.7 HG2 MET 21 - HD3 LYS 24 far 0 37 0 - 5.1-8.0 HE2 LYS 94 - HB3 ARG 91 far 0 96 0 - 5.1-10.1 HE3 LYS 94 - HD2 LYS 24 far 0 56 0 - 5.2-13.3 HE3 LYS 20 - HD2 LYS 24 far 0 56 0 - 5.2-9.9 HE2 LYS 20 - HD3 LYS 24 far 0 54 0 - 5.3-10.5 HG2 MET 21 - HD2 LYS 24 far 0 39 0 - 5.5-8.4 HE3 LYS 90 - HD2 LYS 20 far 0 86 0 - 5.6-8.5 HE2 LYS 94 - HD3 LYS 24 far 0 53 0 - 5.7-12.3 HE3 LYS 39 - HD2 LYS 73 far 0 44 0 - 5.8-9.6 HB2 ASN 10 - HD2 LYS 12 far 0 58 0 - 5.9-11.0 HG2 MET 21 - HD3 LYS 20 far 0 81 0 - 6.0-9.1 HE3 LYS 20 - HD3 LYS 90 far 0 61 0 - 6.2-10.3 HE3 LYS 20 - HD3 LYS 13 far 0 46 0 - 6.3-10.9 HE2 LYS 20 - HD2 LYS 24 far 0 56 0 - 6.4-10.6 HB2 ASN 10 - HD3 LYS 12 far 0 58 0 - 6.4-10.1 HE3 LYS 66 - HD2 LYS 68 far 0 47 0 - 6.5-11.8 HE3 LYS 39 - HD3 LYS 73 far 0 43 0 - 6.7-10.3 HE3 LYS 66 - HD3 LYS 68 far 0 45 0 - 6.8-11.8 HE3 LYS 66 - HD2 LYS 73 far 0 72 0 - 6.9-12.4 HG2 MET 21 - HB3 ARG 91 far 0 75 0 - 6.9-7.5 HG2 MET 21 - HD2 LYS 20 far 0 80 0 - 6.9-9.4 HE2 LYS 94 - HD2 LYS 24 far 0 55 0 - 6.9-12.9 HE3 LYS 20 - HD2 LYS 13 far 0 51 0 - 7.0-11.8 HE3 LYS 90 - HD2 LYS 24 far 0 43 0 - 7.1-11.6 HE2 LYS 20 - HD2 LYS 13 far 0 51 0 - 7.1-12.4 HE2 LYS 66 - HD2 LYS 39 far 0 66 0 - 7.1-12.9 HB2 ASN 10 - HG12 ILE 15 far 0 62 0 - 7.1-8.1 HE2 LYS 66 - HD2 LYS 73 far 0 67 0 - 7.1-12.5 HE3 LYS 66 - HD3 LYS 73 far 0 70 0 - 7.2-13.1 HE3 LYS 90 - HD3 LYS 24 far 0 41 0 - 7.3-10.7 HE2 LYS 20 - HD3 LYS 13 far 0 46 0 - 7.3-12.0 HE3 LYS 90 - HB3 ARG 91 far 0 81 0 - 7.4-8.9 HE2 LYS 66 - HD3 LYS 73 far 0 66 0 - 7.4-13.0 HE2 LYS 66 - HD3 LYS 68 far 0 42 0 - 7.5-11.5 HE3 LYS 90 - HD2 LYS 13 far 0 38 0 - 7.7-13.0 HE2 LYS 66 - HD2 LYS 68 far 0 43 0 - 7.8-11.6 HE3 LYS 66 - HD2 LYS 39 far 0 71 0 - 7.9-13.4 HE3 LYS 90 - HD3 LYS 13 far 0 35 0 - 8.0-12.7 HE3 LYS 94 - HD3 LYS 90 far 0 61 0 - 8.2-13.0 HE2 LYS 20 - HD2 LYS 12 far 0 65 0 - 8.6-14.3 HE2 LYS 94 - HD3 LYS 90 far 0 59 0 - 9.0-13.0 HE2 LYS 20 - HD3 LYS 12 far 0 65 0 - 9.2-14.5 HE3 LYS 20 - HD2 LYS 12 far 0 65 0 - 9.3-14.9 HE3 LYS 73 - HD3 LYS 68 far 0 27 0 - 9.3-14.2 HE2 LYS 20 - HG12 ILE 15 far 0 69 0 - 9.5-12.8 HE3 LYS 73 - HD2 LYS 68 far 0 28 0 - 9.5-14.4 HE3 LYS 68 - HD3 LYS 73 far 0 74 0 - 9.6-14.5 HE3 LYS 20 - HD3 LYS 12 far 0 65 0 - 9.6-14.1 HE2 LYS 73 - HD2 LYS 68 far 0 23 0 - 9.7-14.6 HE3 LYS 68 - HD2 LYS 73 far 0 75 0 - 9.9-14.4 HB2 ASN 10 - HD2 LYS 13 far 0 45 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 924 from cnoeabs.peaks (2.91, 1.67, 29.19 ppm; 3.09 A): 14 out of 73 assignments used, quality = 1.00: * HE3 LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 20 + HD2 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 2.3-3.0 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 2.3-3.0 3.0=100 HE3 LYS 90 + HD3 LYS 90 OK 48 48 100 100 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 47 47 100 100 2.4-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 47 47 100 100 2.3-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 45 45 100 100 2.5-3.0 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 2.5-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 38 38 100 100 2.3-3.0 3.0=100 HE2 LYS 73 - HD2 LYS 39 far 0 39 0 - 3.9-12.4 HE3 LYS 73 - HD2 LYS 39 far 0 46 0 - 4.0-12.2 HE3 LYS 94 - HD3 LYS 24 far 0 54 0 - 4.1-12.4 HG2 MET 21 - HD3 LYS 90 far 0 43 0 - 4.2-5.4 HE3 LYS 20 - HD3 LYS 24 far 0 54 0 - 4.4-10.9 HE3 LYS 90 - HD3 LYS 20 far 0 88 0 - 4.4-8.4 HE3 LYS 94 - HB3 ARG 91 far 0 97 0 - 4.4-10.1 HE2 LYS 20 - HD3 LYS 90 far 0 61 0 - 4.7-10.7 HG2 MET 21 - HD3 LYS 24 far 0 38 0 - 5.1-8.0 HE2 LYS 94 - HB3 ARG 91 far 0 96 0 - 5.1-10.1 HE3 LYS 94 - HD2 LYS 24 far 0 56 0 - 5.2-13.3 HE3 LYS 20 - HD2 LYS 24 far 0 56 0 - 5.2-9.9 HE2 LYS 20 - HD3 LYS 24 far 0 54 0 - 5.3-10.5 HG2 MET 21 - HD2 LYS 24 far 0 40 0 - 5.5-8.4 HE3 LYS 90 - HD2 LYS 20 far 0 88 0 - 5.6-8.5 HE2 LYS 94 - HD3 LYS 24 far 0 53 0 - 5.7-12.3 HE3 LYS 39 - HD2 LYS 73 far 0 42 0 - 5.8-9.6 HB2 ASN 10 - HD2 LYS 12 far 0 59 0 - 5.9-11.0 HG2 MET 21 - HD3 LYS 20 far 0 82 0 - 6.0-9.1 HE3 LYS 20 - HD3 LYS 90 far 0 61 0 - 6.2-10.3 HE3 LYS 20 - HD3 LYS 13 far 0 46 0 - 6.3-10.9 HE2 LYS 20 - HD2 LYS 24 far 0 56 0 - 6.4-10.6 HB2 ASN 10 - HD3 LYS 12 far 0 59 0 - 6.4-10.1 HE3 LYS 66 - HD2 LYS 68 far 0 46 0 - 6.5-11.8 HE3 LYS 39 - HD3 LYS 73 far 0 41 0 - 6.7-10.3 HE3 LYS 66 - HD3 LYS 68 far 0 45 0 - 6.8-11.8 HE3 LYS 66 - HD2 LYS 73 far 0 71 0 - 6.9-12.4 HG2 MET 21 - HB3 ARG 91 far 0 77 0 - 6.9-7.5 HG2 MET 21 - HD2 LYS 20 far 0 82 0 - 6.9-9.4 HE2 LYS 94 - HD2 LYS 24 far 0 55 0 - 6.9-12.9 HE3 LYS 20 - HD2 LYS 13 far 0 51 0 - 7.0-11.8 HE3 LYS 90 - HD2 LYS 24 far 0 44 0 - 7.1-11.6 HE2 LYS 20 - HD2 LYS 13 far 0 51 0 - 7.1-12.4 HE2 LYS 66 - HD2 LYS 39 far 0 65 0 - 7.1-12.9 HB2 ASN 10 - HG12 ILE 15 far 0 62 0 - 7.1-8.1 HE2 LYS 66 - HD2 LYS 73 far 0 66 0 - 7.1-12.5 HE3 LYS 66 - HD3 LYS 73 far 0 70 0 - 7.2-13.1 HE3 LYS 90 - HD3 LYS 24 far 0 42 0 - 7.3-10.7 HE2 LYS 20 - HD3 LYS 13 far 0 46 0 - 7.3-12.0 HE3 LYS 90 - HB3 ARG 91 far 0 83 0 - 7.4-8.9 HE2 LYS 66 - HD3 LYS 73 far 0 65 0 - 7.4-13.0 HE2 LYS 66 - HD3 LYS 68 far 0 41 0 - 7.5-11.5 HE3 LYS 90 - HD2 LYS 13 far 0 39 0 - 7.7-13.0 HE2 LYS 66 - HD2 LYS 68 far 0 43 0 - 7.8-11.6 HE3 LYS 66 - HD2 LYS 39 far 0 70 0 - 7.9-13.4 HE3 LYS 90 - HD3 LYS 13 far 0 36 0 - 8.0-12.7 HE3 LYS 94 - HD3 LYS 90 far 0 61 0 - 8.2-13.0 HE2 LYS 20 - HD2 LYS 12 far 0 65 0 - 8.6-14.3 HE2 LYS 94 - HD3 LYS 90 far 0 60 0 - 9.0-13.0 HE2 LYS 20 - HD3 LYS 12 far 0 65 0 - 9.2-14.5 HE3 LYS 20 - HD2 LYS 12 far 0 65 0 - 9.3-14.9 HE3 LYS 73 - HD3 LYS 68 far 0 28 0 - 9.3-14.2 HE2 LYS 20 - HG12 ILE 15 far 0 69 0 - 9.5-12.8 HE3 LYS 73 - HD2 LYS 68 far 0 29 0 - 9.5-14.4 HE3 LYS 68 - HD3 LYS 73 far 0 73 0 - 9.6-14.5 HE3 LYS 20 - HD3 LYS 12 far 0 65 0 - 9.6-14.1 HE2 LYS 73 - HD2 LYS 68 far 0 24 0 - 9.7-14.6 HE3 LYS 68 - HD2 LYS 73 far 0 75 0 - 9.9-14.4 HB2 ASN 10 - HD2 LYS 13 far 0 45 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 925 from cnoeabs.peaks (7.68, 1.67, 29.19 ppm; 5.70 A increased from 5.07 A): 5 out of 14 assignments used, quality = 1.00: * H MET 21 + HD3 LYS 20 OK 100 100 100 100 3.8-5.9 6325/3.5=94, 6324/3.5=90...(11) H MET 21 + HD2 LYS 20 OK 95 100 95 100 4.2-6.2 6325/3.5=94, 6324/3.5=90...(10) H ALA 25 + HD2 LYS 24 OK 34 41 85 98 4.6-6.5 6402/3.0=61, 6400/3.6=55...(8) H MET 21 + HD2 LYS 24 OK 32 56 65 87 4.2-6.8 3.0/8564=50, ~8564=28...(7) H ALA 25 + HD3 LYS 24 OK 25 39 65 98 5.0-6.7 6402/3.0=61, 6400/3.6=55...(8) H MET 21 - HD3 LYS 24 poor 19 54 35 - 4.5-8.1 H MET 21 - HD3 LYS 90 far 3 61 5 - 5.9-7.1 H LEU 64 - HD2 LYS 68 far 0 29 0 - 6.0-8.8 H LEU 64 - HD3 LYS 68 far 0 28 0 - 6.3-8.7 H SER 85 - HD3 LYS 90 far 0 61 0 - 8.0-9.9 H SER 85 - HB3 ARG 91 far 0 97 0 - 8.6-9.2 H GLU 98 - HD3 LYS 24 far 0 36 0 - 9.0-13.9 H ALA 25 - HD3 LYS 20 far 0 84 0 - 9.0-11.5 H SER 85 - HG12 ILE 15 far 0 68 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 926 from cnoeabs.peaks (7.79, 2.91, 41.80 ppm; 5.21 A increased from 4.63 A): 4 out of 11 assignments used, quality = 1.00: * H LYS 20 + HE2 LYS 20 OK 95 100 95 100 3.1-5.5 6309/3.6=84, 893/3.6=81...(13) H LYS 20 + HE3 LYS 20 OK 85 100 85 100 4.1-5.6 6309/3.6=84, 893/3.6=81...(15) H LYS 66 + HE2 LYS 66 OK 77 86 90 100 4.2-5.7 7072/3.6=89, 7074/2.9=88...(26) H LYS 66 + HE3 LYS 66 OK 61 94 65 100 2.7-5.8 7071/3.6=89, 7074/2.9=88...(25) H LYS 66 - HE3 LYS 68 far 15 98 15 - 5.3-8.3 H LYS 66 - HE2 LYS 68 far 0 99 0 - 5.6-8.2 H LYS 20 - HE3 LYS 90 far 0 73 0 - 6.5-8.2 H GLU 99 - HE2 LYS 94 far 0 99 0 - 7.0-10.6 H GLU 99 - HE3 LYS 94 far 0 100 0 - 7.1-10.3 H VAL 78 - HE2 LYS 68 far 0 61 0 - 7.9-11.5 H VAL 78 - HE3 LYS 68 far 0 61 0 - 8.2-11.2 Violated in 0 structures by 0.00 A. Peak 927 from cnoeabs.peaks (4.05, 2.91, 41.80 ppm; 4.13 A increased from 3.67 A): 5 out of 22 assignments used, quality = 0.96: HA LYS 66 + HE2 LYS 66 OK 62 69 90 100 2.5-4.5 2942/2.9=49, 2879=33...(43) HA LYS 66 + HE3 LYS 66 OK 58 77 75 100 2.5-4.8 2942/2.9=49, 2874/3.6=33...(45) HA GLU 17 + HE3 LYS 90 OK 53 73 90 80 3.3-5.3 ~10433=31, 2.9/8978=18...(17) HA GLU 17 + HE3 LYS 20 OK 34 100 50 69 2.6-5.4 916/3.0=17, 916/3.0=15...(16) HA GLU 17 + HE2 LYS 20 OK 24 100 35 69 2.0-5.6 916/3.0=17, 916/3.0=15...(16) HA GLU 16 - HE2 LYS 20 poor 20 100 20 - 3.2-6.7 HA LYS 20 - HE3 LYS 20 far 5 100 5 - 2.7-6.2 ! HA LYS 20 - HE2 LYS 20 far 5 100 5 - 4.2-6.1 HA GLU 95 - HE2 LYS 94 far 4 75 5 - 4.3-6.8 HA GLU 16 - HE3 LYS 20 far 0 100 0 - 4.6-7.5 HA GLU 95 - HE3 LYS 94 far 0 79 0 - 4.8-6.8 HA LEU 70 - HE2 LYS 66 far 0 59 0 - 5.4-9.4 HA PRO 86 - HE3 LYS 90 far 0 38 0 - 5.6-6.8 HA LEU 70 - HE3 LYS 66 far 0 67 0 - 5.6-9.2 HA LYS 66 - HE3 LYS 68 far 0 83 0 - 5.8-8.8 HA LYS 66 - HE2 LYS 68 far 0 84 0 - 6.7-8.7 HA PRO 86 - HE2 LYS 20 far 0 61 0 - 7.7-11.6 HA GLU 16 - HE3 LYS 90 far 0 72 0 - 8.0-10.1 HA LYS 20 - HE3 LYS 90 far 0 73 0 - 8.1-9.3 HA PRO 86 - HE3 LYS 20 far 0 61 0 - 8.7-12.0 HA LEU 70 - HE3 LYS 68 far 0 73 0 - 9.0-10.9 HA LEU 70 - HE2 LYS 68 far 0 73 0 - 9.2-11.2 Violated in 0 structures by 0.00 A. Peak 928 from cnoeabs.peaks (1.89, 2.91, 41.80 ppm; 4.55 A increased from 3.64 A): 8 out of 31 assignments used, quality = 1.00: HB2 LYS 20 + HE3 LYS 20 OK 100 100 100 100 2.0-4.7 4.7=89, 868/1.8=23...(69) * HB2 LYS 20 + HE2 LYS 20 OK 95 100 95 100 2.3-5.5 4.7=89, 4.0/6313=22...(67) HB3 LYS 68 + HE3 LYS 68 OK 93 93 100 100 2.0-4.5 5.0=75, 3014/3.6=26...(60) HB3 LYS 68 + HE2 LYS 68 OK 89 94 95 100 2.3-4.9 5.0=75, 3014/3.6=26...(60) HB2 LYS 94 + HE3 LYS 94 OK 71 71 100 100 2.0-4.8 4.8=86, 1.8/4266=31...(31) HB2 LYS 94 + HE2 LYS 94 OK 61 68 90 100 2.0-5.1 4.8=86, 1.8/4206=37...(32) HB3 LYS 66 + HE3 LYS 66 OK 44 74 60 100 3.6-5.5 4.7=89, ~2943=56...(32) HB3 LYS 66 + HE2 LYS 66 OK 36 65 55 100 3.6-5.5 4.7=89, ~2943=56...(32) HB2 ARG 19 - HE2 LYS 20 far 0 100 0 - 5.3-8.3 HB2 ARG 19 - HE3 LYS 20 far 0 100 0 - 5.7-8.5 HB2 LYS 20 - HE3 LYS 90 far 0 73 0 - 6.5-7.8 HB2 LYS 12 - HE2 LYS 20 far 0 85 0 - 6.8-11.1 HB3 LYS 39 - HE2 LYS 66 far 0 67 0 - 7.0-13.5 HB3 LYS 39 - HE3 LYS 66 far 0 76 0 - 7.3-12.6 HB3 LYS 13 - HE2 LYS 20 far 0 85 0 - 7.3-10.5 HB3 LYS 66 - HE3 LYS 68 far 0 80 0 - 7.6-10.3 HB3 LYS 13 - HE3 LYS 90 far 0 56 0 - 7.6-10.5 HB3 LYS 66 - HE2 LYS 68 far 0 80 0 - 7.9-10.0 HB3 LYS 13 - HE3 LYS 20 far 0 85 0 - 7.9-11.7 HB3 LYS 68 - HE3 LYS 66 far 0 88 0 - 7.9-11.4 HB2 LYS 12 - HE3 LYS 20 far 0 85 0 - 7.9-12.2 HB2 LYS 94 - HE3 LYS 90 far 0 45 0 - 8.3-10.7 HB2 LYS 13 - HE2 LYS 20 far 0 82 0 - 8.4-11.8 HB3 LYS 12 - HE2 LYS 20 far 0 88 0 - 8.6-12.7 HB3 LEU 14 - HE2 LYS 20 far 0 98 0 - 9.1-12.8 HB3 LYS 68 - HE2 LYS 66 far 0 79 0 - 9.1-11.1 HB2 LYS 13 - HE3 LYS 20 far 0 82 0 - 9.2-13.0 HB2 LYS 13 - HE3 LYS 90 far 0 53 0 - 9.3-11.9 HB3 LEU 14 - HE3 LYS 90 far 0 68 0 - 9.3-11.1 HB3 LYS 12 - HE3 LYS 20 far 0 88 0 - 9.5-13.7 HB3 GLU 104 - HE2 LYS 68 far 0 93 0 - 9.7-30.5 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 36 assignments used, quality = 0.99: HB3 LYS 20 + HE3 LYS 20 OK 69 100 70 98 2.0-4.5 4.7=51, 871/6313=16...(57) HB2 GLU 17 + HE3 LYS 90 OK 61 72 90 94 2.1-4.1 ~10433=36, 12027/3.8=34...(20) * HB3 LYS 20 + HE2 LYS 20 OK 59 100 60 98 2.1-4.7 4.7=51, 1.8/868=17...(55) HB2 LYS 94 + HE2 LYS 94 OK 52 96 55 98 2.0-5.1 4.8=49, 1.8/4206=29...(32) HB2 LYS 94 + HE3 LYS 94 OK 48 98 50 98 2.0-4.8 4.8=49, 4191/3.0=29...(31) HB3 ARG 19 - HE2 LYS 20 far 5 100 5 - 4.0-7.0 HB2 GLU 17 - HE2 LYS 20 far 5 100 5 - 3.8-8.0 HB2 GLU 17 - HE3 LYS 20 far 0 100 0 - 4.9-7.8 HB3 LYS 24 - HE3 LYS 94 far 0 81 0 - 5.2-11.0 HB3 LYS 20 - HE3 LYS 90 far 0 73 0 - 5.2-7.6 HB3 ARG 19 - HE3 LYS 20 far 0 100 0 - 5.2-7.2 HB2 LYS 24 - HE3 LYS 94 far 0 81 0 - 6.5-11.1 HB2 LYS 24 - HE3 LYS 20 far 0 81 0 - 6.6-10.7 HB3 LYS 24 - HE2 LYS 94 far 0 77 0 - 6.6-10.6 HB3 LYS 13 - HE2 LYS 20 far 0 92 0 - 7.3-10.5 HB2 LYS 24 - HE2 LYS 20 far 0 81 0 - 7.4-11.2 HB3 LYS 13 - HE3 LYS 90 far 0 62 0 - 7.6-10.5 HB2 LYS 24 - HE2 LYS 94 far 0 77 0 - 7.7-10.8 HB3 LYS 13 - HE3 LYS 20 far 0 92 0 - 7.9-11.7 HB3 LYS 24 - HE2 LYS 20 far 0 81 0 - 7.9-12.2 HB2 LYS 73 - HE2 LYS 66 far 0 73 0 - 8.0-11.8 HB2 LYS 73 - HE3 LYS 66 far 0 82 0 - 8.0-11.6 HB3 LYS 24 - HE3 LYS 20 far 0 81 0 - 8.0-11.9 HB2 LYS 94 - HE3 LYS 90 far 0 69 0 - 8.3-10.7 HB2 LYS 24 - HE3 LYS 90 far 0 52 0 - 8.4-9.8 HB2 LYS 13 - HE2 LYS 20 far 0 94 0 - 8.4-11.8 HB3 ARG 19 - HE3 LYS 90 far 0 73 0 - 8.8-10.2 HB3 LYS 73 - HE3 LYS 66 far 0 83 0 - 9.0-12.4 HB2 LYS 73 - HE3 LYS 68 far 0 87 0 - 9.1-12.1 HB3 LEU 14 - HE2 LYS 20 far 0 73 0 - 9.1-12.8 HB3 LYS 73 - HE2 LYS 66 far 0 74 0 - 9.1-12.7 HB2 LYS 13 - HE3 LYS 20 far 0 94 0 - 9.2-13.0 HB2 LYS 13 - HE3 LYS 90 far 0 64 0 - 9.3-11.9 HB3 LYS 24 - HE3 LYS 90 far 0 52 0 - 9.3-10.9 HB3 LEU 14 - HE3 LYS 90 far 0 46 0 - 9.3-11.1 HG3 GLU 88 - HE3 LYS 90 far 0 71 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 930 from cnoeabs.peaks (1.46, 2.91, 41.80 ppm; 3.81 A increased from 3.38 A): 8 out of 48 assignments used, quality = 1.00: * HG2 LYS 20 + HE2 LYS 20 OK 100 100 100 100 2.1-3.8 3.6=100 HG2 LYS 20 + HE3 LYS 20 OK 100 100 100 100 2.3-4.0 3.6=100 HG3 LYS 66 + HE3 LYS 66 OK 60 60 100 100 2.3-3.8 3.6=100 HG2 LYS 66 + HE2 LYS 66 OK 55 55 100 100 2.2-3.8 3.6=100 HG2 LYS 66 + HE3 LYS 66 OK 51 63 80 100 2.1-4.2 3.6=100 HG LEU 64 + HE2 LYS 68 OK 49 88 60 94 2.2-5.6 ~10264=33, ~11010=31...(22) HG3 LYS 66 + HE2 LYS 66 OK 42 52 80 100 2.4-4.1 3.6=100 HG LEU 64 + HE3 LYS 68 OK 33 87 40 94 2.0-5.7 ~10264=33, ~11010=31...(20) HG3 ARG 91 - HE2 LYS 94 far 15 98 15 - 3.2-9.3 HG3 ARG 91 - HE3 LYS 94 far 10 100 10 - 2.1-9.5 HB2 ARG 91 - HE3 LYS 94 far 8 79 10 - 3.5-9.2 HB2 ARG 91 - HE2 LYS 94 far 4 75 5 - 3.7-9.3 HB3 LEU 64 - HE3 LYS 68 far 0 71 0 - 4.8-8.6 HB3 LEU 64 - HE2 LYS 68 far 0 71 0 - 5.1-8.6 HG2 LYS 20 - HE3 LYS 90 far 0 73 0 - 5.5-9.1 HB2 ARG 91 - HE3 LYS 90 far 0 51 0 - 6.4-8.4 HG2 LYS 73 - HE3 LYS 66 far 0 61 0 - 6.6-10.5 HG2 LYS 73 - HE2 LYS 66 far 0 54 0 - 6.7-10.3 HG2 LYS 66 - HE3 LYS 68 far 0 69 0 - 6.9-10.2 QB ALA 22 - HE2 LYS 20 far 0 90 0 - 7.0-9.2 QB ALA 22 - HE3 LYS 20 far 0 89 0 - 7.1-9.7 HB2 LEU 38 - HE2 LYS 66 far 0 89 0 - 7.1-11.0 HD2 LYS 82 - HE2 LYS 68 far 0 100 0 - 7.3-11.3 HB2 LEU 38 - HE3 LYS 66 far 0 96 0 - 7.3-10.6 HG LEU 64 - HE3 LYS 66 far 0 82 0 - 7.4-11.1 HD2 LYS 82 - HE3 LYS 68 far 0 100 0 - 7.4-11.3 HG LEU 38 - HE2 LYS 66 far 0 89 0 - 7.4-10.8 HG3 LYS 39 - HE3 LYS 66 far 0 90 0 - 7.5-14.3 HG LEU 38 - HE3 LYS 66 far 0 96 0 - 7.5-10.7 HG2 LYS 66 - HE2 LYS 68 far 0 69 0 - 7.5-10.3 HG2 LYS 12 - HE2 LYS 20 far 0 98 0 - 7.6-13.4 HG2 LYS 13 - HE3 LYS 20 far 0 82 0 - 7.6-13.2 HG3 LYS 39 - HE2 LYS 66 far 0 81 0 - 8.2-14.2 HB3 LEU 64 - HE3 LYS 66 far 0 65 0 - 8.4-11.9 HG2 LYS 13 - HE2 LYS 20 far 0 82 0 - 8.4-11.8 HG3 LYS 66 - HE3 LYS 68 far 0 65 0 - 8.6-11.8 QB ALA 22 - HE3 LYS 90 far 0 60 0 - 8.7-9.3 HG2 LYS 73 - HE3 LYS 68 far 0 67 0 - 8.9-12.0 HG LEU 64 - HE2 LYS 66 far 0 73 0 - 8.9-10.8 QB ALA 22 - HE3 LYS 94 far 0 89 0 - 8.9-11.5 HG2 LYS 73 - HE2 LYS 68 far 0 67 0 - 8.9-12.4 HG2 LYS 12 - HE3 LYS 20 far 0 98 0 - 9.0-14.4 HG3 ARG 91 - HE3 LYS 90 far 0 73 0 - 9.1-11.0 HG3 LYS 66 - HE2 LYS 68 far 0 65 0 - 9.2-11.7 HG LEU 38 - HE3 LYS 68 far 0 100 0 - 9.3-12.6 QB ALA 22 - HE2 LYS 94 far 0 86 0 - 9.6-11.5 HG2 LYS 13 - HE3 LYS 90 far 0 53 0 - 9.6-12.1 HB3 LEU 64 - HE2 LYS 66 far 0 57 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 931 from cnoeabs.peaks (1.67, 2.91, 41.80 ppm; 2.74 A): 13 out of 73 assignments used, quality = 1.00: HD2 LYS 20 + HE2 LYS 20 OK 87 100 100 87 2.3-3.0 3.0=77, 3.5/868=6...(23) HD2 LYS 20 + HE3 LYS 20 OK 87 100 100 87 2.3-3.0 3.0=77, 3.5/868=5...(23) HD3 LYS 20 + HE2 LYS 20 OK 87 100 100 87 2.3-3.0 3.0=77, 1729/3.6=7...(22) HD3 LYS 20 + HE3 LYS 20 OK 87 100 100 87 2.2-3.0 3.0=77, 1729/3.6=7...(22) HD2 LYS 68 + HE2 LYS 68 OK 84 89 100 94 2.2-3.0 3.0=77, 3.0/4267=7...(49) HD2 LYS 68 + HE3 LYS 68 OK 84 89 100 94 2.3-3.0 3.0=77, 3.0/4267=9...(47) HD3 LYS 68 + HE2 LYS 68 OK 83 88 100 94 2.2-3.0 3.0=77, 3.0/4267=7...(50) HD3 LYS 68 + HE3 LYS 68 OK 82 87 100 94 2.4-3.0 3.0=77, 3.0/4267=9...(48) HD3 LYS 66 + HE3 LYS 66 OK 69 76 100 91 2.3-3.0 2.9=82, 2943/4.7=13...(10) HD3 LYS 66 + HE2 LYS 66 OK 61 67 100 91 2.3-3.0 2.9=82, 2943/4.7=13...(10) HD3 LYS 90 + HE3 LYS 90 OK 54 60 100 91 2.2-3.0 3.0=80, 2.9/4005=16...(17) HG2 LYS 68 + HE3 LYS 68 OK 46 73 70 90 2.3-4.2 3.6=44, 1.8/4267=12...(55) * HG3 LYS 20 + HE2 LYS 20 OK 34 100 40 84 2.4-4.2 3.6=46, 893/6313=7...(52) HG3 LYS 20 - HE3 LYS 20 poor 20 100 20 - 2.5-4.2 HG2 LYS 68 - HE2 LYS 68 poor 15 73 20 - 2.8-4.2 HG LEU 70 - HE2 LYS 66 far 4 71 5 - 2.9-7.0 HG LEU 70 - HE3 LYS 66 far 0 80 0 - 3.1-6.9 HD3 LYS 24 - HE3 LYS 94 far 0 89 0 - 4.1-12.4 HD3 LYS 24 - HE3 LYS 20 far 0 89 0 - 4.4-10.9 HD3 LYS 20 - HE3 LYS 90 far 0 73 0 - 4.4-8.4 HB3 ARG 91 - HE3 LYS 94 far 0 99 0 - 4.4-10.1 HD3 LYS 90 - HE2 LYS 20 far 0 90 0 - 4.7-10.7 HG3 LYS 20 - HE3 LYS 90 far 0 73 0 - 4.9-8.9 HB3 ARG 91 - HE2 LYS 94 far 0 97 0 - 5.1-10.1 HD2 LYS 24 - HE3 LYS 94 far 0 91 0 - 5.2-13.3 HD2 LYS 24 - HE3 LYS 20 far 0 91 0 - 5.2-9.9 HD3 LYS 24 - HE2 LYS 20 far 0 90 0 - 5.3-10.5 HG2 PRO 86 - HE3 LYS 90 far 0 64 0 - 5.5-7.5 HD2 LYS 20 - HE3 LYS 90 far 0 73 0 - 5.6-8.5 HG2 LYS 68 - HE3 LYS 66 far 0 67 0 - 5.6-9.4 HD3 LYS 24 - HE2 LYS 94 far 0 86 0 - 5.7-12.3 HD3 LYS 90 - HE3 LYS 20 far 0 89 0 - 6.2-10.3 HD3 LYS 13 - HE3 LYS 20 far 0 81 0 - 6.3-10.9 HD2 LYS 24 - HE2 LYS 20 far 0 91 0 - 6.4-10.6 HD2 LYS 68 - HE3 LYS 66 far 0 83 0 - 6.5-11.8 HD3 LYS 66 - HE3 LYS 68 far 0 81 0 - 6.6-10.5 HG2 LYS 68 - HE2 LYS 66 far 0 59 0 - 6.7-9.1 HB3 ARG 79 - HE2 LYS 68 far 0 92 0 - 6.8-12.3 HD3 LYS 68 - HE3 LYS 66 far 0 82 0 - 6.8-11.8 HD2 LYS 73 - HE3 LYS 66 far 0 95 0 - 6.9-12.4 HD2 LYS 24 - HE2 LYS 94 far 0 87 0 - 6.9-12.9 HD2 LYS 13 - HE3 LYS 20 far 0 84 0 - 7.0-11.8 HD2 LYS 24 - HE3 LYS 90 far 0 61 0 - 7.1-11.6 HD2 LYS 13 - HE2 LYS 20 far 0 84 0 - 7.1-12.4 HD2 LYS 39 - HE2 LYS 66 far 0 77 0 - 7.1-12.9 HD2 LYS 73 - HE2 LYS 66 far 0 87 0 - 7.1-12.5 HD3 LYS 73 - HE3 LYS 66 far 0 95 0 - 7.2-13.1 HD3 LYS 24 - HE3 LYS 90 far 0 60 0 - 7.3-10.7 HD3 LYS 13 - HE2 LYS 20 far 0 81 0 - 7.3-12.0 HB3 ARG 91 - HE3 LYS 90 far 0 71 0 - 7.4-8.9 HD3 LYS 73 - HE2 LYS 66 far 0 86 0 - 7.4-13.0 HD3 LYS 66 - HE2 LYS 68 far 0 82 0 - 7.4-10.5 HD3 LYS 68 - HE2 LYS 66 far 0 73 0 - 7.5-11.5 HD2 LYS 13 - HE3 LYS 90 far 0 55 0 - 7.7-13.0 HB3 ARG 79 - HE3 LYS 68 far 0 91 0 - 7.8-12.8 HG2 PRO 86 - HE2 LYS 20 far 0 94 0 - 7.8-11.7 HD2 LYS 68 - HE2 LYS 66 far 0 74 0 - 7.8-11.6 HD2 LYS 39 - HE3 LYS 66 far 0 86 0 - 7.9-13.4 HD3 LYS 13 - HE3 LYS 90 far 0 52 0 - 8.0-12.7 HD3 LYS 90 - HE3 LYS 94 far 0 89 0 - 8.2-13.0 HG LEU 70 - HE3 LYS 68 far 0 86 0 - 8.4-10.9 HD2 LYS 12 - HE2 LYS 20 far 0 84 0 - 8.6-14.3 HD3 LYS 39 - HE2 LYS 66 far 0 57 0 - 8.7-13.4 HG2 PRO 86 - HE3 LYS 20 far 0 94 0 - 8.8-12.5 HD3 LYS 90 - HE2 LYS 94 far 0 86 0 - 9.0-13.0 HD3 LYS 12 - HE2 LYS 20 far 0 84 0 - 9.2-14.5 HD2 LYS 12 - HE3 LYS 20 far 0 84 0 - 9.3-14.9 HD3 LYS 39 - HE3 LYS 66 far 0 65 0 - 9.3-14.1 HG LEU 70 - HE2 LYS 68 far 0 87 0 - 9.4-11.0 HG12 ILE 15 - HE2 LYS 20 far 0 93 0 - 9.5-12.8 HD3 LYS 73 - HE3 LYS 68 far 0 99 0 - 9.6-14.5 HD3 LYS 12 - HE3 LYS 20 far 0 84 0 - 9.6-14.1 HD2 LYS 73 - HE3 LYS 68 far 0 99 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 932 from cnoeabs.peaks (1.68, 2.91, 41.80 ppm; 2.74 A): 13 out of 75 assignments used, quality = 1.00: * HD2 LYS 20 + HE2 LYS 20 OK 87 100 100 87 2.3-3.0 3.0=77, 3.5/868=6...(23) HD2 LYS 20 + HE3 LYS 20 OK 87 100 100 87 2.3-3.0 3.0=77, 3.5/868=5...(23) HD3 LYS 20 + HE2 LYS 20 OK 87 100 100 87 2.3-3.0 3.0=77, 1729/3.6=6...(22) HD3 LYS 20 + HE3 LYS 20 OK 86 100 100 86 2.2-3.0 3.0=77, 1729/3.6=6...(22) HD2 LYS 68 + HE2 LYS 68 OK 80 85 100 94 2.2-3.0 3.0=77, 3.0/4267=7...(48) HD2 LYS 68 + HE3 LYS 68 OK 80 85 100 94 2.3-3.0 3.0=77, 3.0/4267=9...(47) HD3 LYS 68 + HE2 LYS 68 OK 79 84 100 94 2.2-3.0 3.0=77, 3.0/4267=7...(49) HD3 LYS 68 + HE3 LYS 68 OK 78 83 100 94 2.4-3.0 3.0=77, 3.0/4267=9...(47) HD3 LYS 66 + HE3 LYS 66 OK 74 80 100 92 2.3-3.0 2.9=82, 2943/4.7=14...(11) HD3 LYS 66 + HE2 LYS 66 OK 66 71 100 92 2.3-3.0 2.9=82, 2943/4.7=14...(11) HD3 LYS 90 + HE3 LYS 90 OK 58 63 100 91 2.2-3.0 3.0=80, 2.9/4005=16...(17) HG2 LYS 68 + HE3 LYS 68 OK 42 67 70 90 2.3-4.2 3.6=44, 1.8/4267=12...(54) HG3 LYS 20 + HE2 LYS 20 OK 34 100 40 84 2.4-4.2 3.6=46, 893/6313=7...(52) HG3 LYS 20 - HE3 LYS 20 poor 20 100 20 - 2.5-4.2 HG2 LYS 68 - HE2 LYS 68 poor 13 67 20 - 2.8-4.2 HG LEU 70 - HE2 LYS 66 far 4 75 5 - 2.9-7.0 HG LEU 70 - HE3 LYS 66 far 0 84 0 - 3.1-6.9 HD3 LYS 24 - HE3 LYS 94 far 0 93 0 - 4.1-12.4 HD3 LYS 24 - HE3 LYS 20 far 0 93 0 - 4.4-10.9 HD3 LYS 20 - HE3 LYS 90 far 0 73 0 - 4.4-8.4 HB3 ARG 91 - HE3 LYS 94 far 0 100 0 - 4.4-10.1 HD3 LYS 90 - HE2 LYS 20 far 0 93 0 - 4.7-10.7 HG3 LYS 20 - HE3 LYS 90 far 0 73 0 - 4.9-8.9 HB3 ARG 91 - HE2 LYS 94 far 0 98 0 - 5.1-10.1 HD2 LYS 24 - HE3 LYS 94 far 0 94 0 - 5.2-13.3 HD2 LYS 24 - HE3 LYS 20 far 0 94 0 - 5.2-9.9 HD3 LYS 24 - HE2 LYS 20 far 0 93 0 - 5.3-10.5 HG2 PRO 86 - HE3 LYS 90 far 0 67 0 - 5.5-7.5 HD2 LYS 20 - HE3 LYS 90 far 0 73 0 - 5.6-8.5 HG2 LYS 68 - HE3 LYS 66 far 0 61 0 - 5.6-9.4 HD3 LYS 24 - HE2 LYS 94 far 0 90 0 - 5.7-12.3 HB3 LEU 70 - HE2 LYS 66 far 0 48 0 - 5.9-9.9 HB3 LEU 70 - HE3 LYS 66 far 0 56 0 - 6.0-9.8 HD3 LYS 90 - HE3 LYS 20 far 0 93 0 - 6.2-10.3 HD3 LYS 13 - HE3 LYS 20 far 0 85 0 - 6.3-10.9 HD2 LYS 24 - HE2 LYS 20 far 0 94 0 - 6.4-10.6 HD2 LYS 68 - HE3 LYS 66 far 0 79 0 - 6.5-11.8 HD3 LYS 66 - HE3 LYS 68 far 0 86 0 - 6.6-10.5 HG2 LYS 68 - HE2 LYS 66 far 0 54 0 - 6.7-9.1 HB3 ARG 79 - HE2 LYS 68 far 0 88 0 - 6.8-12.3 HD3 LYS 68 - HE3 LYS 66 far 0 77 0 - 6.8-11.8 HD2 LYS 73 - HE3 LYS 66 far 0 94 0 - 6.9-12.4 HD2 LYS 24 - HE2 LYS 94 far 0 91 0 - 6.9-12.9 HD2 LYS 13 - HE3 LYS 20 far 0 88 0 - 7.0-11.8 HD2 LYS 24 - HE3 LYS 90 far 0 64 0 - 7.1-11.6 HD2 LYS 13 - HE2 LYS 20 far 0 88 0 - 7.1-12.4 HD2 LYS 39 - HE2 LYS 66 far 0 73 0 - 7.1-12.9 HD2 LYS 73 - HE2 LYS 66 far 0 86 0 - 7.1-12.5 HD3 LYS 73 - HE3 LYS 66 far 0 93 0 - 7.2-13.1 HD3 LYS 24 - HE3 LYS 90 far 0 63 0 - 7.3-10.7 HD3 LYS 13 - HE2 LYS 20 far 0 85 0 - 7.3-12.0 HB3 ARG 91 - HE3 LYS 90 far 0 73 0 - 7.4-8.9 HD3 LYS 73 - HE2 LYS 66 far 0 84 0 - 7.4-13.0 HD3 LYS 66 - HE2 LYS 68 far 0 87 0 - 7.4-10.5 HD3 LYS 68 - HE2 LYS 66 far 0 69 0 - 7.5-11.5 HD2 LYS 13 - HE3 LYS 90 far 0 58 0 - 7.7-13.0 HB3 ARG 79 - HE3 LYS 68 far 0 87 0 - 7.8-12.8 HG2 PRO 86 - HE2 LYS 20 far 0 96 0 - 7.8-11.7 HD2 LYS 68 - HE2 LYS 66 far 0 70 0 - 7.8-11.6 HD2 LYS 39 - HE3 LYS 66 far 0 82 0 - 7.9-13.4 HD3 LYS 13 - HE3 LYS 90 far 0 56 0 - 8.0-12.7 HD3 LYS 90 - HE3 LYS 94 far 0 93 0 - 8.2-13.0 HG LEU 70 - HE3 LYS 68 far 0 90 0 - 8.4-10.9 HD2 LYS 12 - HE2 LYS 20 far 0 88 0 - 8.6-14.3 HD3 LYS 39 - HE2 LYS 66 far 0 52 0 - 8.7-13.4 HG2 PRO 86 - HE3 LYS 20 far 0 96 0 - 8.8-12.5 HD3 LYS 90 - HE2 LYS 94 far 0 90 0 - 9.0-13.0 HD3 LYS 12 - HE2 LYS 20 far 0 88 0 - 9.2-14.5 HD2 LYS 12 - HE3 LYS 20 far 0 88 0 - 9.3-14.9 HD3 LYS 39 - HE3 LYS 66 far 0 60 0 - 9.3-14.1 HG LEU 70 - HE2 LYS 68 far 0 91 0 - 9.4-11.0 HG12 ILE 15 - HE2 LYS 20 far 0 96 0 - 9.5-12.8 HD3 LYS 73 - HE3 LYS 68 far 0 98 0 - 9.6-14.5 HD3 LYS 12 - HE3 LYS 20 far 0 88 0 - 9.6-14.1 HD2 LYS 73 - HE3 LYS 68 far 0 98 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 933 from cnoeabs.peaks (1.67, 2.91, 41.80 ppm; 2.74 A): 13 out of 73 assignments used, quality = 1.00: HD2 LYS 20 + HE2 LYS 20 OK 87 100 100 87 2.3-3.0 3.0=77, 3.5/868=6...(23) HD2 LYS 20 + HE3 LYS 20 OK 87 100 100 87 2.3-3.0 3.0=77, 3.5/868=5...(23) * HD3 LYS 20 + HE2 LYS 20 OK 87 100 100 87 2.3-3.0 3.0=77, 1729/3.6=7...(22) HD3 LYS 20 + HE3 LYS 20 OK 87 100 100 87 2.2-3.0 3.0=77, 1729/3.6=7...(22) HD2 LYS 68 + HE2 LYS 68 OK 84 89 100 94 2.2-3.0 3.0=77, 3.0/4267=7...(49) HD2 LYS 68 + HE3 LYS 68 OK 84 89 100 94 2.3-3.0 3.0=77, 3.0/4267=9...(47) HD3 LYS 68 + HE2 LYS 68 OK 83 88 100 94 2.2-3.0 3.0=77, 3.0/4267=7...(50) HD3 LYS 68 + HE3 LYS 68 OK 82 87 100 94 2.4-3.0 3.0=77, 3.0/4267=9...(48) HD3 LYS 66 + HE3 LYS 66 OK 69 76 100 91 2.3-3.0 2.9=82, 2943/4.7=13...(10) HD3 LYS 66 + HE2 LYS 66 OK 61 67 100 91 2.3-3.0 2.9=82, 2943/4.7=13...(10) HD3 LYS 90 + HE3 LYS 90 OK 54 60 100 91 2.2-3.0 3.0=80, 2.9/4005=16...(17) HG2 LYS 68 + HE3 LYS 68 OK 46 73 70 90 2.3-4.2 3.6=44, 1.8/4267=12...(55) HG3 LYS 20 + HE2 LYS 20 OK 34 100 40 84 2.4-4.2 3.6=46, 893/6313=7...(52) HG3 LYS 20 - HE3 LYS 20 poor 20 100 20 - 2.5-4.2 HG2 LYS 68 - HE2 LYS 68 poor 15 73 20 - 2.8-4.2 HG LEU 70 - HE2 LYS 66 far 4 71 5 - 2.9-7.0 HG LEU 70 - HE3 LYS 66 far 0 80 0 - 3.1-6.9 HD3 LYS 24 - HE3 LYS 94 far 0 89 0 - 4.1-12.4 HD3 LYS 24 - HE3 LYS 20 far 0 89 0 - 4.4-10.9 HD3 LYS 20 - HE3 LYS 90 far 0 73 0 - 4.4-8.4 HB3 ARG 91 - HE3 LYS 94 far 0 99 0 - 4.4-10.1 HD3 LYS 90 - HE2 LYS 20 far 0 90 0 - 4.7-10.7 HG3 LYS 20 - HE3 LYS 90 far 0 73 0 - 4.9-8.9 HB3 ARG 91 - HE2 LYS 94 far 0 97 0 - 5.1-10.1 HD2 LYS 24 - HE3 LYS 94 far 0 91 0 - 5.2-13.3 HD2 LYS 24 - HE3 LYS 20 far 0 91 0 - 5.2-9.9 HD3 LYS 24 - HE2 LYS 20 far 0 90 0 - 5.3-10.5 HG2 PRO 86 - HE3 LYS 90 far 0 64 0 - 5.5-7.5 HD2 LYS 20 - HE3 LYS 90 far 0 73 0 - 5.6-8.5 HG2 LYS 68 - HE3 LYS 66 far 0 67 0 - 5.6-9.4 HD3 LYS 24 - HE2 LYS 94 far 0 86 0 - 5.7-12.3 HD3 LYS 90 - HE3 LYS 20 far 0 89 0 - 6.2-10.3 HD3 LYS 13 - HE3 LYS 20 far 0 81 0 - 6.3-10.9 HD2 LYS 24 - HE2 LYS 20 far 0 91 0 - 6.4-10.6 HD2 LYS 68 - HE3 LYS 66 far 0 83 0 - 6.5-11.8 HD3 LYS 66 - HE3 LYS 68 far 0 81 0 - 6.6-10.5 HG2 LYS 68 - HE2 LYS 66 far 0 59 0 - 6.7-9.1 HB3 ARG 79 - HE2 LYS 68 far 0 92 0 - 6.8-12.3 HD3 LYS 68 - HE3 LYS 66 far 0 82 0 - 6.8-11.8 HD2 LYS 73 - HE3 LYS 66 far 0 95 0 - 6.9-12.4 HD2 LYS 24 - HE2 LYS 94 far 0 87 0 - 6.9-12.9 HD2 LYS 13 - HE3 LYS 20 far 0 84 0 - 7.0-11.8 HD2 LYS 24 - HE3 LYS 90 far 0 61 0 - 7.1-11.6 HD2 LYS 13 - HE2 LYS 20 far 0 84 0 - 7.1-12.4 HD2 LYS 39 - HE2 LYS 66 far 0 77 0 - 7.1-12.9 HD2 LYS 73 - HE2 LYS 66 far 0 87 0 - 7.1-12.5 HD3 LYS 73 - HE3 LYS 66 far 0 95 0 - 7.2-13.1 HD3 LYS 24 - HE3 LYS 90 far 0 60 0 - 7.3-10.7 HD3 LYS 13 - HE2 LYS 20 far 0 81 0 - 7.3-12.0 HB3 ARG 91 - HE3 LYS 90 far 0 71 0 - 7.4-8.9 HD3 LYS 73 - HE2 LYS 66 far 0 86 0 - 7.4-13.0 HD3 LYS 66 - HE2 LYS 68 far 0 82 0 - 7.4-10.5 HD3 LYS 68 - HE2 LYS 66 far 0 73 0 - 7.5-11.5 HD2 LYS 13 - HE3 LYS 90 far 0 55 0 - 7.7-13.0 HB3 ARG 79 - HE3 LYS 68 far 0 91 0 - 7.8-12.8 HG2 PRO 86 - HE2 LYS 20 far 0 94 0 - 7.8-11.7 HD2 LYS 68 - HE2 LYS 66 far 0 74 0 - 7.8-11.6 HD2 LYS 39 - HE3 LYS 66 far 0 86 0 - 7.9-13.4 HD3 LYS 13 - HE3 LYS 90 far 0 52 0 - 8.0-12.7 HD3 LYS 90 - HE3 LYS 94 far 0 89 0 - 8.2-13.0 HG LEU 70 - HE3 LYS 68 far 0 86 0 - 8.4-10.9 HD2 LYS 12 - HE2 LYS 20 far 0 84 0 - 8.6-14.3 HD3 LYS 39 - HE2 LYS 66 far 0 57 0 - 8.7-13.4 HG2 PRO 86 - HE3 LYS 20 far 0 94 0 - 8.8-12.5 HD3 LYS 90 - HE2 LYS 94 far 0 86 0 - 9.0-13.0 HD3 LYS 12 - HE2 LYS 20 far 0 84 0 - 9.2-14.5 HD2 LYS 12 - HE3 LYS 20 far 0 84 0 - 9.3-14.9 HD3 LYS 39 - HE3 LYS 66 far 0 65 0 - 9.3-14.1 HG LEU 70 - HE2 LYS 68 far 0 87 0 - 9.4-11.0 HG12 ILE 15 - HE2 LYS 20 far 0 93 0 - 9.5-12.8 HD3 LYS 73 - HE3 LYS 68 far 0 99 0 - 9.6-14.5 HD3 LYS 12 - HE3 LYS 20 far 0 84 0 - 9.6-14.1 HD2 LYS 73 - HE3 LYS 68 far 0 99 0 - 9.9-14.4 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; 6.40 A increased from 5.69 A): 3 out of 16 assignments used, quality = 0.99: * H MET 21 + HE2 LYS 20 OK 85 100 85 100 3.8-6.9 6325/4.7=91, 6324/4.7=87...(9) H MET 21 + HE3 LYS 20 OK 85 100 85 100 4.1-7.2 6325/4.7=91, 6324/4.7=87...(9) H MET 21 + HE3 LYS 90 OK 72 73 100 99 5.6-6.4 10441/3.8=84...(4) H LEU 64 - HE3 LYS 68 poor 19 71 35 76 6.0-9.3 4.5/10265=32...(7) H LEU 64 - HE2 LYS 68 poor 18 71 25 - 6.3-9.3 H GLU 98 - HE3 LYS 94 poor 16 79 35 59 5.1-8.6 7582/6.0=46...(4) H GLU 98 - HE2 LYS 94 poor 15 75 20 - 4.6-9.2 H LEU 64 - HE3 LYS 66 poor 13 65 20 - 6.2-9.6 H ALA 25 - HE3 LYS 94 far 0 84 0 - 6.7-11.6 H LEU 64 - HE2 LYS 66 far 0 57 0 - 7.5-9.6 H ALA 25 - HE2 LYS 94 far 0 80 0 - 7.7-11.8 H ALA 25 - HE3 LYS 20 far 0 84 0 - 9.0-12.7 H MET 21 - HE3 LYS 94 far 0 100 0 - 9.8-12.1 H MET 21 - HE2 LYS 94 far 0 99 0 - 9.8-12.4 H ALA 25 - HE2 LYS 20 far 0 84 0 - 9.9-12.2 H SER 85 - HE3 LYS 90 far 0 73 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 937 from cnoeabs.peaks (7.79, 2.91, 41.80 ppm; 5.21 A increased from 4.63 A): 4 out of 11 assignments used, quality = 1.00: H LYS 20 + HE2 LYS 20 OK 95 100 95 100 3.1-5.5 6309/3.6=84, 893/3.6=81...(13) * H LYS 20 + HE3 LYS 20 OK 85 100 85 100 4.1-5.6 6309/3.6=84, 893/3.6=81...(15) H LYS 66 + HE2 LYS 66 OK 75 84 90 100 4.2-5.7 7072/3.6=89, 7074/2.9=88...(26) H LYS 66 + HE3 LYS 66 OK 61 93 65 100 2.7-5.8 7071/3.6=89, 7074/2.9=88...(25) H LYS 66 - HE3 LYS 68 far 15 98 15 - 5.3-8.3 H LYS 66 - HE2 LYS 68 far 0 99 0 - 5.6-8.2 H LYS 20 - HE3 LYS 90 far 0 76 0 - 6.5-8.2 H GLU 99 - HE2 LYS 94 far 0 99 0 - 7.0-10.6 H GLU 99 - HE3 LYS 94 far 0 100 0 - 7.1-10.3 H VAL 78 - HE2 LYS 68 far 0 61 0 - 7.9-11.5 H VAL 78 - HE3 LYS 68 far 0 60 0 - 8.2-11.2 Violated in 0 structures by 0.00 A. Peak 938 from cnoeabs.peaks (4.05, 2.91, 41.80 ppm; 4.13 A increased from 3.67 A): 5 out of 22 assignments used, quality = 0.96: HA LYS 66 + HE2 LYS 66 OK 60 67 90 100 2.5-4.5 2942/2.9=49, 2879=33...(43) HA LYS 66 + HE3 LYS 66 OK 57 76 75 100 2.5-4.8 2942/2.9=49, 2874/3.6=33...(45) HA GLU 17 + HE3 LYS 90 OK 55 76 90 81 3.3-5.3 ~10433=31, 2.9/8978=19...(17) HA GLU 17 + HE3 LYS 20 OK 34 100 50 69 2.6-5.4 916/3.0=17, 916/3.0=15...(16) HA GLU 17 + HE2 LYS 20 OK 24 100 35 69 2.0-5.6 916/3.0=17, 916/3.0=15...(16) HA GLU 16 - HE2 LYS 20 poor 20 100 20 - 3.2-6.7 ! HA LYS 20 - HE3 LYS 20 far 5 100 5 - 2.7-6.2 HA LYS 20 - HE2 LYS 20 far 5 100 5 - 4.2-6.1 HA GLU 95 - HE2 LYS 94 far 4 76 5 - 4.3-6.8 HA GLU 16 - HE3 LYS 20 far 0 100 0 - 4.6-7.5 HA GLU 95 - HE3 LYS 94 far 0 79 0 - 4.8-6.8 HA LEU 70 - HE2 LYS 66 far 0 57 0 - 5.4-9.4 HA PRO 86 - HE3 LYS 90 far 0 39 0 - 5.6-6.8 HA LEU 70 - HE3 LYS 66 far 0 66 0 - 5.6-9.2 HA LYS 66 - HE3 LYS 68 far 0 83 0 - 5.8-8.8 HA LYS 66 - HE2 LYS 68 far 0 83 0 - 6.7-8.7 HA PRO 86 - HE2 LYS 20 far 0 61 0 - 7.7-11.6 HA GLU 16 - HE3 LYS 90 far 0 74 0 - 8.0-10.1 HA LYS 20 - HE3 LYS 90 far 0 76 0 - 8.1-9.3 HA PRO 86 - HE3 LYS 20 far 0 61 0 - 8.7-12.0 HA LEU 70 - HE3 LYS 68 far 0 72 0 - 9.0-10.9 HA LEU 70 - HE2 LYS 68 far 0 73 0 - 9.2-11.2 Violated in 0 structures by 0.00 A. Peak 939 from cnoeabs.peaks (1.89, 2.91, 41.80 ppm; 4.55 A increased from 3.64 A): 8 out of 31 assignments used, quality = 1.00: * HB2 LYS 20 + HE3 LYS 20 OK 100 100 100 100 2.0-4.7 4.7=89, 868/1.8=23...(69) HB2 LYS 20 + HE2 LYS 20 OK 95 100 95 100 2.3-5.5 4.7=89, 4.0/6314=22...(67) HB3 LYS 68 + HE3 LYS 68 OK 93 93 100 100 2.0-4.5 5.0=75, 3014/3.6=26...(60) HB3 LYS 68 + HE2 LYS 68 OK 89 94 95 100 2.3-4.9 5.0=75, 3014/3.6=26...(60) HB2 LYS 94 + HE3 LYS 94 OK 71 71 100 100 2.0-4.8 4.8=86, 1.8/4266=31...(31) HB2 LYS 94 + HE2 LYS 94 OK 62 69 90 100 2.0-5.1 4.8=86, 1.8/4206=37...(32) HB3 LYS 66 + HE3 LYS 66 OK 44 73 60 100 3.6-5.5 4.7=89, ~2943=56...(32) HB3 LYS 66 + HE2 LYS 66 OK 35 64 55 100 3.6-5.5 4.7=89, ~2943=56...(32) HB2 ARG 19 - HE2 LYS 20 far 0 100 0 - 5.3-8.3 HB2 ARG 19 - HE3 LYS 20 far 0 100 0 - 5.7-8.5 HB2 LYS 20 - HE3 LYS 90 far 0 76 0 - 6.5-7.8 HB2 LYS 12 - HE2 LYS 20 far 0 85 0 - 6.8-11.1 HB3 LYS 39 - HE2 LYS 66 far 0 65 0 - 7.0-13.5 HB3 LYS 39 - HE3 LYS 66 far 0 75 0 - 7.3-12.6 HB3 LYS 13 - HE2 LYS 20 far 0 85 0 - 7.3-10.5 HB3 LYS 66 - HE3 LYS 68 far 0 79 0 - 7.6-10.3 HB3 LYS 13 - HE3 LYS 90 far 0 58 0 - 7.6-10.5 HB3 LYS 66 - HE2 LYS 68 far 0 80 0 - 7.9-10.0 HB3 LYS 13 - HE3 LYS 20 far 0 85 0 - 7.9-11.7 HB3 LYS 68 - HE3 LYS 66 far 0 87 0 - 7.9-11.4 HB2 LYS 12 - HE3 LYS 20 far 0 85 0 - 7.9-12.2 HB2 LYS 94 - HE3 LYS 90 far 0 47 0 - 8.3-10.7 HB2 LYS 13 - HE2 LYS 20 far 0 82 0 - 8.4-11.8 HB3 LYS 12 - HE2 LYS 20 far 0 88 0 - 8.6-12.7 HB3 LEU 14 - HE2 LYS 20 far 0 98 0 - 9.1-12.8 HB3 LYS 68 - HE2 LYS 66 far 0 77 0 - 9.1-11.1 HB2 LYS 13 - HE3 LYS 20 far 0 82 0 - 9.2-13.0 HB2 LYS 13 - HE3 LYS 90 far 0 55 0 - 9.3-11.9 HB3 LEU 14 - HE3 LYS 90 far 0 71 0 - 9.3-11.1 HB3 LYS 12 - HE3 LYS 20 far 0 88 0 - 9.5-13.7 HB3 GLU 104 - HE2 LYS 68 far 0 93 0 - 9.7-30.5 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 36 assignments used, quality = 0.99: * HB3 LYS 20 + HE3 LYS 20 OK 69 100 70 98 2.0-4.5 4.7=51, 871/6314=16...(57) HB2 GLU 17 + HE3 LYS 90 OK 63 74 90 94 2.1-4.1 ~10433=36, 12027/3.8=34...(20) HB3 LYS 20 + HE2 LYS 20 OK 59 100 60 98 2.1-4.7 4.7=51, 1.8/868=17...(55) HB2 LYS 94 + HE2 LYS 94 OK 52 96 55 98 2.0-5.1 4.8=49, 1.8/4206=29...(32) HB2 LYS 94 + HE3 LYS 94 OK 48 98 50 98 2.0-4.8 4.8=49, 4191/3.0=29...(31) HB3 ARG 19 - HE2 LYS 20 far 5 100 5 - 4.0-7.0 HB2 GLU 17 - HE2 LYS 20 far 5 100 5 - 3.8-8.0 HB2 GLU 17 - HE3 LYS 20 far 0 100 0 - 4.9-7.8 HB3 LYS 24 - HE3 LYS 94 far 0 80 0 - 5.2-11.0 HB3 LYS 20 - HE3 LYS 90 far 0 76 0 - 5.2-7.6 HB3 ARG 19 - HE3 LYS 20 far 0 100 0 - 5.2-7.2 HB2 LYS 24 - HE3 LYS 94 far 0 80 0 - 6.5-11.1 HB2 LYS 24 - HE3 LYS 20 far 0 81 0 - 6.6-10.7 HB3 LYS 24 - HE2 LYS 94 far 0 78 0 - 6.6-10.6 HB3 LYS 13 - HE2 LYS 20 far 0 92 0 - 7.3-10.5 HB2 LYS 24 - HE2 LYS 20 far 0 81 0 - 7.4-11.2 HB3 LYS 13 - HE3 LYS 90 far 0 64 0 - 7.6-10.5 HB2 LYS 24 - HE2 LYS 94 far 0 78 0 - 7.7-10.8 HB3 LYS 13 - HE3 LYS 20 far 0 92 0 - 7.9-11.7 HB3 LYS 24 - HE2 LYS 20 far 0 81 0 - 7.9-12.2 HB2 LYS 73 - HE2 LYS 66 far 0 71 0 - 8.0-11.8 HB2 LYS 73 - HE3 LYS 66 far 0 81 0 - 8.0-11.6 HB3 LYS 24 - HE3 LYS 20 far 0 81 0 - 8.0-11.9 HB2 LYS 94 - HE3 LYS 90 far 0 72 0 - 8.3-10.7 HB2 LYS 24 - HE3 LYS 90 far 0 54 0 - 8.4-9.8 HB2 LYS 13 - HE2 LYS 20 far 0 94 0 - 8.4-11.8 HB3 ARG 19 - HE3 LYS 90 far 0 75 0 - 8.8-10.2 HB3 LYS 73 - HE3 LYS 66 far 0 82 0 - 9.0-12.4 HB2 LYS 73 - HE3 LYS 68 far 0 87 0 - 9.1-12.1 HB3 LEU 14 - HE2 LYS 20 far 0 73 0 - 9.1-12.8 HB3 LYS 73 - HE2 LYS 66 far 0 72 0 - 9.1-12.7 HB2 LYS 13 - HE3 LYS 20 far 0 94 0 - 9.2-13.0 HB2 LYS 13 - HE3 LYS 90 far 0 66 0 - 9.3-11.9 HB3 LYS 24 - HE3 LYS 90 far 0 54 0 - 9.3-10.9 HB3 LEU 14 - HE3 LYS 90 far 0 48 0 - 9.3-11.1 HG3 GLU 88 - HE3 LYS 90 far 0 73 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 941 from cnoeabs.peaks (1.46, 2.91, 41.80 ppm; 3.81 A increased from 3.38 A): 8 out of 48 assignments used, quality = 1.00: * HG2 LYS 20 + HE3 LYS 20 OK 100 100 100 100 2.3-4.0 3.6=100 HG2 LYS 20 + HE2 LYS 20 OK 100 100 100 100 2.1-3.8 3.6=100 HG3 LYS 66 + HE3 LYS 66 OK 58 58 100 100 2.3-3.8 3.6=100 HG2 LYS 66 + HE2 LYS 66 OK 54 54 100 100 2.2-3.8 3.6=100 HG2 LYS 66 + HE3 LYS 66 OK 50 62 80 100 2.1-4.2 3.6=100 HG LEU 64 + HE2 LYS 68 OK 49 88 60 94 2.2-5.6 ~10264=33, ~11010=31...(22) HG3 LYS 66 + HE2 LYS 66 OK 40 50 80 100 2.4-4.1 3.6=100 HG LEU 64 + HE3 LYS 68 OK 33 87 40 94 2.0-5.7 ~10264=33, ~11010=31...(20) HG3 ARG 91 - HE2 LYS 94 far 15 99 15 - 3.2-9.3 HG3 ARG 91 - HE3 LYS 94 far 10 100 10 - 2.1-9.5 HB2 ARG 91 - HE3 LYS 94 far 8 79 10 - 3.5-9.2 HB2 ARG 91 - HE2 LYS 94 far 4 76 5 - 3.7-9.3 HB3 LEU 64 - HE3 LYS 68 far 0 70 0 - 4.8-8.6 HB3 LEU 64 - HE2 LYS 68 far 0 71 0 - 5.1-8.6 HG2 LYS 20 - HE3 LYS 90 far 0 76 0 - 5.5-9.1 HB2 ARG 91 - HE3 LYS 90 far 0 53 0 - 6.4-8.4 HG2 LYS 73 - HE3 LYS 66 far 0 60 0 - 6.6-10.5 HG2 LYS 73 - HE2 LYS 66 far 0 52 0 - 6.7-10.3 HG2 LYS 66 - HE3 LYS 68 far 0 68 0 - 6.9-10.2 QB ALA 22 - HE2 LYS 20 far 0 89 0 - 7.0-9.2 QB ALA 22 - HE3 LYS 20 far 0 90 0 - 7.1-9.7 HB2 LEU 38 - HE2 LYS 66 far 0 87 0 - 7.1-11.0 HD2 LYS 82 - HE2 LYS 68 far 0 100 0 - 7.3-11.3 HB2 LEU 38 - HE3 LYS 66 far 0 96 0 - 7.3-10.6 HG LEU 64 - HE3 LYS 66 far 0 81 0 - 7.4-11.1 HD2 LYS 82 - HE3 LYS 68 far 0 100 0 - 7.4-11.3 HG LEU 38 - HE2 LYS 66 far 0 87 0 - 7.4-10.8 HG3 LYS 39 - HE3 LYS 66 far 0 89 0 - 7.5-14.3 HG LEU 38 - HE3 LYS 66 far 0 96 0 - 7.5-10.7 HG2 LYS 66 - HE2 LYS 68 far 0 69 0 - 7.5-10.3 HG2 LYS 12 - HE2 LYS 20 far 0 98 0 - 7.6-13.4 HG2 LYS 13 - HE3 LYS 20 far 0 82 0 - 7.6-13.2 HG3 LYS 39 - HE2 LYS 66 far 0 79 0 - 8.2-14.2 HB3 LEU 64 - HE3 LYS 66 far 0 64 0 - 8.4-11.9 HG2 LYS 13 - HE2 LYS 20 far 0 82 0 - 8.4-11.8 HG3 LYS 66 - HE3 LYS 68 far 0 64 0 - 8.6-11.8 QB ALA 22 - HE3 LYS 90 far 0 62 0 - 8.7-9.3 HG2 LYS 73 - HE3 LYS 68 far 0 66 0 - 8.9-12.0 HG LEU 64 - HE2 LYS 66 far 0 71 0 - 8.9-10.8 QB ALA 22 - HE3 LYS 94 far 0 89 0 - 8.9-11.5 HG2 LYS 73 - HE2 LYS 68 far 0 67 0 - 8.9-12.4 HG2 LYS 12 - HE3 LYS 20 far 0 98 0 - 9.0-14.4 HG3 ARG 91 - HE3 LYS 90 far 0 75 0 - 9.1-11.0 HG3 LYS 66 - HE2 LYS 68 far 0 65 0 - 9.2-11.7 HG LEU 38 - HE3 LYS 68 far 0 100 0 - 9.3-12.6 QB ALA 22 - HE2 LYS 94 far 0 87 0 - 9.6-11.5 HG2 LYS 13 - HE3 LYS 90 far 0 55 0 - 9.6-12.1 HB3 LEU 64 - HE2 LYS 66 far 0 56 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 942 from cnoeabs.peaks (1.67, 2.91, 41.80 ppm; 2.74 A): 13 out of 73 assignments used, quality = 1.00: HD2 LYS 20 + HE2 LYS 20 OK 87 100 100 87 2.3-3.0 3.0=77, 3.5/868=6...(23) HD2 LYS 20 + HE3 LYS 20 OK 87 100 100 87 2.3-3.0 3.0=77, 3.5/868=5...(23) HD3 LYS 20 + HE2 LYS 20 OK 87 100 100 87 2.3-3.0 3.0=77, 1729/3.6=7...(22) HD3 LYS 20 + HE3 LYS 20 OK 87 100 100 87 2.2-3.0 3.0=77, 1729/3.6=7...(22) HD2 LYS 68 + HE2 LYS 68 OK 84 89 100 94 2.2-3.0 3.0=77, 3.0/4267=7...(49) HD2 LYS 68 + HE3 LYS 68 OK 83 88 100 94 2.3-3.0 3.0=77, 3.0/4267=9...(47) HD3 LYS 68 + HE2 LYS 68 OK 83 88 100 94 2.2-3.0 3.0=77, 3.0/4267=7...(50) HD3 LYS 68 + HE3 LYS 68 OK 82 87 100 94 2.4-3.0 3.0=77, 3.0/4267=9...(48) HD3 LYS 66 + HE3 LYS 66 OK 68 75 100 91 2.3-3.0 2.9=82, 2943/4.7=13...(10) HD3 LYS 66 + HE2 LYS 66 OK 60 65 100 91 2.3-3.0 2.9=82, 2943/4.7=13...(10) HD3 LYS 90 + HE3 LYS 90 OK 57 62 100 91 2.2-3.0 3.0=80, 2.9/4005=17...(17) HG2 LYS 68 + HE3 LYS 68 OK 45 72 70 90 2.3-4.2 3.6=44, 1.8/4267=12...(55) HG3 LYS 20 + HE2 LYS 20 OK 34 100 40 84 2.4-4.2 3.6=46, 893/6314=7...(52) ! HG3 LYS 20 - HE3 LYS 20 poor 17 100 20 84 2.5-4.2 3.6=46, 893/6314=6...(53) HG2 LYS 68 - HE2 LYS 68 poor 15 73 20 - 2.8-4.2 HG LEU 70 - HE2 LYS 66 far 3 70 5 - 2.9-7.0 HG LEU 70 - HE3 LYS 66 far 0 79 0 - 3.1-6.9 HD3 LYS 24 - HE3 LYS 94 far 0 89 0 - 4.1-12.4 HD3 LYS 24 - HE3 LYS 20 far 0 90 0 - 4.4-10.9 HD3 LYS 20 - HE3 LYS 90 far 0 76 0 - 4.4-8.4 HB3 ARG 91 - HE3 LYS 94 far 0 99 0 - 4.4-10.1 HD3 LYS 90 - HE2 LYS 20 far 0 89 0 - 4.7-10.7 HG3 LYS 20 - HE3 LYS 90 far 0 76 0 - 4.9-8.9 HB3 ARG 91 - HE2 LYS 94 far 0 98 0 - 5.1-10.1 HD2 LYS 24 - HE3 LYS 94 far 0 91 0 - 5.2-13.3 HD2 LYS 24 - HE3 LYS 20 far 0 91 0 - 5.2-9.9 HD3 LYS 24 - HE2 LYS 20 far 0 89 0 - 5.3-10.5 HG2 PRO 86 - HE3 LYS 90 far 0 66 0 - 5.5-7.5 HD2 LYS 20 - HE3 LYS 90 far 0 76 0 - 5.6-8.5 HG2 LYS 68 - HE3 LYS 66 far 0 66 0 - 5.6-9.4 HD3 LYS 24 - HE2 LYS 94 far 0 87 0 - 5.7-12.3 HD3 LYS 90 - HE3 LYS 20 far 0 90 0 - 6.2-10.3 HD3 LYS 13 - HE3 LYS 20 far 0 81 0 - 6.3-10.9 HD2 LYS 24 - HE2 LYS 20 far 0 91 0 - 6.4-10.6 HD2 LYS 68 - HE3 LYS 66 far 0 82 0 - 6.5-11.8 HD3 LYS 66 - HE3 LYS 68 far 0 81 0 - 6.6-10.5 HG2 LYS 68 - HE2 LYS 66 far 0 57 0 - 6.7-9.1 HB3 ARG 79 - HE2 LYS 68 far 0 91 0 - 6.8-12.3 HD3 LYS 68 - HE3 LYS 66 far 0 81 0 - 6.8-11.8 HD2 LYS 73 - HE3 LYS 66 far 0 94 0 - 6.9-12.4 HD2 LYS 24 - HE2 LYS 94 far 0 88 0 - 6.9-12.9 HD2 LYS 13 - HE3 LYS 20 far 0 84 0 - 7.0-11.8 HD2 LYS 24 - HE3 LYS 90 far 0 63 0 - 7.1-11.6 HD2 LYS 13 - HE2 LYS 20 far 0 84 0 - 7.1-12.4 HD2 LYS 39 - HE2 LYS 66 far 0 75 0 - 7.1-12.9 HD2 LYS 73 - HE2 LYS 66 far 0 85 0 - 7.1-12.5 HD3 LYS 73 - HE3 LYS 66 far 0 94 0 - 7.2-13.1 HD3 LYS 24 - HE3 LYS 90 far 0 62 0 - 7.3-10.7 HD3 LYS 13 - HE2 LYS 20 far 0 81 0 - 7.3-12.0 HB3 ARG 91 - HE3 LYS 90 far 0 74 0 - 7.4-8.9 HD3 LYS 73 - HE2 LYS 66 far 0 84 0 - 7.4-13.0 HD3 LYS 66 - HE2 LYS 68 far 0 82 0 - 7.4-10.5 HD3 LYS 68 - HE2 LYS 66 far 0 71 0 - 7.5-11.5 HD2 LYS 13 - HE3 LYS 90 far 0 57 0 - 7.7-13.0 HB3 ARG 79 - HE3 LYS 68 far 0 91 0 - 7.8-12.8 HG2 PRO 86 - HE2 LYS 20 far 0 94 0 - 7.8-11.7 HD2 LYS 68 - HE2 LYS 66 far 0 72 0 - 7.8-11.6 HD2 LYS 39 - HE3 LYS 66 far 0 84 0 - 7.9-13.4 HD3 LYS 13 - HE3 LYS 90 far 0 54 0 - 8.0-12.7 HD3 LYS 90 - HE3 LYS 94 far 0 89 0 - 8.2-13.0 HG LEU 70 - HE3 LYS 68 far 0 86 0 - 8.4-10.9 HD2 LYS 12 - HE2 LYS 20 far 0 84 0 - 8.6-14.3 HD3 LYS 39 - HE2 LYS 66 far 0 56 0 - 8.7-13.4 HG2 PRO 86 - HE3 LYS 20 far 0 94 0 - 8.8-12.5 HD3 LYS 90 - HE2 LYS 94 far 0 87 0 - 9.0-13.0 HD3 LYS 12 - HE2 LYS 20 far 0 84 0 - 9.2-14.5 HD2 LYS 12 - HE3 LYS 20 far 0 84 0 - 9.3-14.9 HD3 LYS 39 - HE3 LYS 66 far 0 64 0 - 9.3-14.1 HG LEU 70 - HE2 LYS 68 far 0 86 0 - 9.4-11.0 HG12 ILE 15 - HE2 LYS 20 far 0 93 0 - 9.5-12.8 HD3 LYS 73 - HE3 LYS 68 far 0 98 0 - 9.6-14.5 HD3 LYS 12 - HE3 LYS 20 far 0 84 0 - 9.6-14.1 HD2 LYS 73 - HE3 LYS 68 far 0 99 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 943 from cnoeabs.peaks (1.68, 2.91, 41.80 ppm; 2.74 A): 13 out of 75 assignments used, quality = 1.00: HD2 LYS 20 + HE2 LYS 20 OK 87 100 100 87 2.3-3.0 3.0=77, 3.5/868=6...(23) * HD2 LYS 20 + HE3 LYS 20 OK 87 100 100 87 2.3-3.0 3.0=77, 3.5/868=5...(23) HD3 LYS 20 + HE2 LYS 20 OK 87 100 100 87 2.3-3.0 3.0=77, 1729/3.6=6...(22) HD3 LYS 20 + HE3 LYS 20 OK 86 100 100 86 2.2-3.0 3.0=77, 1729/3.6=6...(22) HD2 LYS 68 + HE2 LYS 68 OK 80 85 100 94 2.2-3.0 3.0=77, 3.0/4267=7...(48) HD2 LYS 68 + HE3 LYS 68 OK 79 84 100 94 2.3-3.0 3.0=77, 3.0/4267=9...(47) HD3 LYS 68 + HE2 LYS 68 OK 79 83 100 94 2.2-3.0 3.0=77, 3.0/4267=7...(49) HD3 LYS 68 + HE3 LYS 68 OK 78 83 100 94 2.4-3.0 3.0=77, 3.0/4267=9...(47) HD3 LYS 66 + HE3 LYS 66 OK 73 79 100 92 2.3-3.0 2.9=82, 2943/4.7=14...(11) HD3 LYS 66 + HE2 LYS 66 OK 64 70 100 92 2.3-3.0 2.9=82, 2943/4.7=14...(11) HD3 LYS 90 + HE3 LYS 90 OK 60 65 100 92 2.2-3.0 3.0=80, 2.9/4005=17...(17) HG2 LYS 68 + HE3 LYS 68 OK 42 66 70 90 2.3-4.2 3.6=44, 1.8/4267=12...(54) HG3 LYS 20 + HE2 LYS 20 OK 34 100 40 84 2.4-4.2 3.6=46, 893/6314=7...(52) HG3 LYS 20 - HE3 LYS 20 poor 20 100 20 - 2.5-4.2 HG2 LYS 68 - HE2 LYS 68 poor 13 67 20 - 2.8-4.2 HG LEU 70 - HE2 LYS 66 far 4 74 5 - 2.9-7.0 HG LEU 70 - HE3 LYS 66 far 0 83 0 - 3.1-6.9 HD3 LYS 24 - HE3 LYS 94 far 0 93 0 - 4.1-12.4 HD3 LYS 24 - HE3 LYS 20 far 0 93 0 - 4.4-10.9 HD3 LYS 20 - HE3 LYS 90 far 0 76 0 - 4.4-8.4 HB3 ARG 91 - HE3 LYS 94 far 0 100 0 - 4.4-10.1 HD3 LYS 90 - HE2 LYS 20 far 0 93 0 - 4.7-10.7 HG3 LYS 20 - HE3 LYS 90 far 0 76 0 - 4.9-8.9 HB3 ARG 91 - HE2 LYS 94 far 0 99 0 - 5.1-10.1 HD2 LYS 24 - HE3 LYS 94 far 0 94 0 - 5.2-13.3 HD2 LYS 24 - HE3 LYS 20 far 0 94 0 - 5.2-9.9 HD3 LYS 24 - HE2 LYS 20 far 0 93 0 - 5.3-10.5 HG2 PRO 86 - HE3 LYS 90 far 0 69 0 - 5.5-7.5 HD2 LYS 20 - HE3 LYS 90 far 0 76 0 - 5.6-8.5 HG2 LYS 68 - HE3 LYS 66 far 0 60 0 - 5.6-9.4 HD3 LYS 24 - HE2 LYS 94 far 0 91 0 - 5.7-12.3 HB3 LEU 70 - HE2 LYS 66 far 0 47 0 - 5.9-9.9 HB3 LEU 70 - HE3 LYS 66 far 0 55 0 - 6.0-9.8 HD3 LYS 90 - HE3 LYS 20 far 0 93 0 - 6.2-10.3 HD3 LYS 13 - HE3 LYS 20 far 0 85 0 - 6.3-10.9 HD2 LYS 24 - HE2 LYS 20 far 0 94 0 - 6.4-10.6 HD2 LYS 68 - HE3 LYS 66 far 0 78 0 - 6.5-11.8 HD3 LYS 66 - HE3 LYS 68 far 0 86 0 - 6.6-10.5 HG2 LYS 68 - HE2 LYS 66 far 0 52 0 - 6.7-9.1 HB3 ARG 79 - HE2 LYS 68 far 0 88 0 - 6.8-12.3 HD3 LYS 68 - HE3 LYS 66 far 0 76 0 - 6.8-11.8 HD2 LYS 73 - HE3 LYS 66 far 0 93 0 - 6.9-12.4 HD2 LYS 24 - HE2 LYS 94 far 0 92 0 - 6.9-12.9 HD2 LYS 13 - HE3 LYS 20 far 0 88 0 - 7.0-11.8 HD2 LYS 24 - HE3 LYS 90 far 0 66 0 - 7.1-11.6 HD2 LYS 13 - HE2 LYS 20 far 0 88 0 - 7.1-12.4 HD2 LYS 39 - HE2 LYS 66 far 0 71 0 - 7.1-12.9 HD2 LYS 73 - HE2 LYS 66 far 0 84 0 - 7.1-12.5 HD3 LYS 73 - HE3 LYS 66 far 0 92 0 - 7.2-13.1 HD3 LYS 24 - HE3 LYS 90 far 0 65 0 - 7.3-10.7 HD3 LYS 13 - HE2 LYS 20 far 0 85 0 - 7.3-12.0 HB3 ARG 91 - HE3 LYS 90 far 0 75 0 - 7.4-8.9 HD3 LYS 73 - HE2 LYS 66 far 0 83 0 - 7.4-13.0 HD3 LYS 66 - HE2 LYS 68 far 0 86 0 - 7.4-10.5 HD3 LYS 68 - HE2 LYS 66 far 0 67 0 - 7.5-11.5 HD2 LYS 13 - HE3 LYS 90 far 0 61 0 - 7.7-13.0 HB3 ARG 79 - HE3 LYS 68 far 0 87 0 - 7.8-12.8 HG2 PRO 86 - HE2 LYS 20 far 0 96 0 - 7.8-11.7 HD2 LYS 68 - HE2 LYS 66 far 0 68 0 - 7.8-11.6 HD2 LYS 39 - HE3 LYS 66 far 0 81 0 - 7.9-13.4 HD3 LYS 13 - HE3 LYS 90 far 0 58 0 - 8.0-12.7 HD3 LYS 90 - HE3 LYS 94 far 0 93 0 - 8.2-13.0 HG LEU 70 - HE3 LYS 68 far 0 89 0 - 8.4-10.9 HD2 LYS 12 - HE2 LYS 20 far 0 88 0 - 8.6-14.3 HD3 LYS 39 - HE2 LYS 66 far 0 50 0 - 8.7-13.4 HG2 PRO 86 - HE3 LYS 20 far 0 96 0 - 8.8-12.5 HD3 LYS 90 - HE2 LYS 94 far 0 91 0 - 9.0-13.0 HD3 LYS 12 - HE2 LYS 20 far 0 88 0 - 9.2-14.5 HD2 LYS 12 - HE3 LYS 20 far 0 88 0 - 9.3-14.9 HD3 LYS 39 - HE3 LYS 66 far 0 58 0 - 9.3-14.1 HG LEU 70 - HE2 LYS 68 far 0 90 0 - 9.4-11.0 HG12 ILE 15 - HE2 LYS 20 far 0 96 0 - 9.5-12.8 HD3 LYS 73 - HE3 LYS 68 far 0 97 0 - 9.6-14.5 HD3 LYS 12 - HE3 LYS 20 far 0 88 0 - 9.6-14.1 HD2 LYS 73 - HE3 LYS 68 far 0 98 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 944 from cnoeabs.peaks (1.67, 2.91, 41.80 ppm; 2.74 A): 13 out of 73 assignments used, quality = 1.00: HD2 LYS 20 + HE2 LYS 20 OK 87 100 100 87 2.3-3.0 3.0=77, 3.5/868=6...(23) HD2 LYS 20 + HE3 LYS 20 OK 87 100 100 87 2.3-3.0 3.0=77, 3.5/868=5...(23) HD3 LYS 20 + HE2 LYS 20 OK 87 100 100 87 2.3-3.0 3.0=77, 1729/3.6=7...(22) * HD3 LYS 20 + HE3 LYS 20 OK 87 100 100 87 2.2-3.0 3.0=77, 1729/3.6=7...(22) HD2 LYS 68 + HE2 LYS 68 OK 84 89 100 94 2.2-3.0 3.0=77, 3.0/4267=7...(49) HD2 LYS 68 + HE3 LYS 68 OK 83 88 100 94 2.3-3.0 3.0=77, 3.0/4267=9...(47) HD3 LYS 68 + HE2 LYS 68 OK 83 88 100 94 2.2-3.0 3.0=77, 3.0/4267=7...(50) HD3 LYS 68 + HE3 LYS 68 OK 82 87 100 94 2.4-3.0 3.0=77, 3.0/4267=9...(48) HD3 LYS 66 + HE3 LYS 66 OK 68 75 100 91 2.3-3.0 2.9=82, 2943/4.7=13...(10) HD3 LYS 66 + HE2 LYS 66 OK 60 65 100 91 2.3-3.0 2.9=82, 2943/4.7=13...(10) HD3 LYS 90 + HE3 LYS 90 OK 57 62 100 91 2.2-3.0 3.0=80, 2.9/4005=17...(17) HG2 LYS 68 + HE3 LYS 68 OK 45 72 70 90 2.3-4.2 3.6=44, 1.8/4267=12...(55) HG3 LYS 20 + HE2 LYS 20 OK 34 100 40 84 2.4-4.2 3.6=46, 893/6314=7...(52) HG3 LYS 20 - HE3 LYS 20 poor 17 100 20 84 2.5-4.2 3.6=46, 893/6314=6...(53) HG2 LYS 68 - HE2 LYS 68 poor 15 73 20 - 2.8-4.2 HG LEU 70 - HE2 LYS 66 far 3 70 5 - 2.9-7.0 HG LEU 70 - HE3 LYS 66 far 0 79 0 - 3.1-6.9 HD3 LYS 24 - HE3 LYS 94 far 0 89 0 - 4.1-12.4 HD3 LYS 24 - HE3 LYS 20 far 0 90 0 - 4.4-10.9 HD3 LYS 20 - HE3 LYS 90 far 0 76 0 - 4.4-8.4 HB3 ARG 91 - HE3 LYS 94 far 0 99 0 - 4.4-10.1 HD3 LYS 90 - HE2 LYS 20 far 0 89 0 - 4.7-10.7 HG3 LYS 20 - HE3 LYS 90 far 0 76 0 - 4.9-8.9 HB3 ARG 91 - HE2 LYS 94 far 0 98 0 - 5.1-10.1 HD2 LYS 24 - HE3 LYS 94 far 0 91 0 - 5.2-13.3 HD2 LYS 24 - HE3 LYS 20 far 0 91 0 - 5.2-9.9 HD3 LYS 24 - HE2 LYS 20 far 0 89 0 - 5.3-10.5 HG2 PRO 86 - HE3 LYS 90 far 0 66 0 - 5.5-7.5 HD2 LYS 20 - HE3 LYS 90 far 0 76 0 - 5.6-8.5 HG2 LYS 68 - HE3 LYS 66 far 0 66 0 - 5.6-9.4 HD3 LYS 24 - HE2 LYS 94 far 0 87 0 - 5.7-12.3 HD3 LYS 90 - HE3 LYS 20 far 0 90 0 - 6.2-10.3 HD3 LYS 13 - HE3 LYS 20 far 0 81 0 - 6.3-10.9 HD2 LYS 24 - HE2 LYS 20 far 0 91 0 - 6.4-10.6 HD2 LYS 68 - HE3 LYS 66 far 0 82 0 - 6.5-11.8 HD3 LYS 66 - HE3 LYS 68 far 0 81 0 - 6.6-10.5 HG2 LYS 68 - HE2 LYS 66 far 0 57 0 - 6.7-9.1 HB3 ARG 79 - HE2 LYS 68 far 0 91 0 - 6.8-12.3 HD3 LYS 68 - HE3 LYS 66 far 0 81 0 - 6.8-11.8 HD2 LYS 73 - HE3 LYS 66 far 0 94 0 - 6.9-12.4 HD2 LYS 24 - HE2 LYS 94 far 0 88 0 - 6.9-12.9 HD2 LYS 13 - HE3 LYS 20 far 0 84 0 - 7.0-11.8 HD2 LYS 24 - HE3 LYS 90 far 0 63 0 - 7.1-11.6 HD2 LYS 13 - HE2 LYS 20 far 0 84 0 - 7.1-12.4 HD2 LYS 39 - HE2 LYS 66 far 0 75 0 - 7.1-12.9 HD2 LYS 73 - HE2 LYS 66 far 0 85 0 - 7.1-12.5 HD3 LYS 73 - HE3 LYS 66 far 0 94 0 - 7.2-13.1 HD3 LYS 24 - HE3 LYS 90 far 0 62 0 - 7.3-10.7 HD3 LYS 13 - HE2 LYS 20 far 0 81 0 - 7.3-12.0 HB3 ARG 91 - HE3 LYS 90 far 0 74 0 - 7.4-8.9 HD3 LYS 73 - HE2 LYS 66 far 0 84 0 - 7.4-13.0 HD3 LYS 66 - HE2 LYS 68 far 0 82 0 - 7.4-10.5 HD3 LYS 68 - HE2 LYS 66 far 0 71 0 - 7.5-11.5 HD2 LYS 13 - HE3 LYS 90 far 0 57 0 - 7.7-13.0 HB3 ARG 79 - HE3 LYS 68 far 0 91 0 - 7.8-12.8 HG2 PRO 86 - HE2 LYS 20 far 0 94 0 - 7.8-11.7 HD2 LYS 68 - HE2 LYS 66 far 0 72 0 - 7.8-11.6 HD2 LYS 39 - HE3 LYS 66 far 0 84 0 - 7.9-13.4 HD3 LYS 13 - HE3 LYS 90 far 0 54 0 - 8.0-12.7 HD3 LYS 90 - HE3 LYS 94 far 0 89 0 - 8.2-13.0 HG LEU 70 - HE3 LYS 68 far 0 86 0 - 8.4-10.9 HD2 LYS 12 - HE2 LYS 20 far 0 84 0 - 8.6-14.3 HD3 LYS 39 - HE2 LYS 66 far 0 56 0 - 8.7-13.4 HG2 PRO 86 - HE3 LYS 20 far 0 94 0 - 8.8-12.5 HD3 LYS 90 - HE2 LYS 94 far 0 87 0 - 9.0-13.0 HD3 LYS 12 - HE2 LYS 20 far 0 84 0 - 9.2-14.5 HD2 LYS 12 - HE3 LYS 20 far 0 84 0 - 9.3-14.9 HD3 LYS 39 - HE3 LYS 66 far 0 64 0 - 9.3-14.1 HG LEU 70 - HE2 LYS 68 far 0 86 0 - 9.4-11.0 HG12 ILE 15 - HE2 LYS 20 far 0 93 0 - 9.5-12.8 HD3 LYS 73 - HE3 LYS 68 far 0 98 0 - 9.6-14.5 HD3 LYS 12 - HE3 LYS 20 far 0 84 0 - 9.6-14.1 HD2 LYS 73 - HE3 LYS 68 far 0 99 0 - 9.9-14.4 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 2 assignments used, quality = 1.00: * H MET 21 + HA MET 21 OK 100 100 100 100 2.8-2.9 3.0=100 H ALA 25 - HA MET 21 far 0 84 0 - 4.3-4.8 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 5 assignments used, quality = 1.00: * HB2 MET 21 + HA MET 21 OK 100 100 100 100 2.9-2.9 3.0=100 HB3 LYS 94 - HA MET 21 far 0 81 0 - 5.6-6.5 HG12 ILE 93 - HA MET 21 far 0 98 0 - 6.6-7.6 HB2 GLU 23 - HA MET 21 far 0 65 0 - 6.7-6.9 HB2 GLU 16 - HA MET 21 far 0 85 0 - 9.3-10.3 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 3 assignments used, quality = 1.00: HG3 MET 21 + HA MET 21 OK 100 100 100 100 2.1-2.6 3.9=100 * HB3 MET 21 + HA MET 21 OK 100 100 100 100 2.7-2.8 3.0=100 HG3 GLU 17 - HA MET 21 far 0 77 0 - 7.5-9.7 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 8 assignments used, quality = 1.00: * HG2 MET 21 + HA MET 21 OK 100 100 100 100 3.4-3.6 3.9=100 HE2 LYS 24 - HA MET 21 poor 18 90 20 - 3.6-6.7 HE3 LYS 24 - HA MET 21 far 13 90 15 - 2.1-6.9 HE3 LYS 20 - HA MET 21 far 0 82 0 - 5.6-8.7 HE2 LYS 20 - HA MET 21 far 0 81 0 - 5.7-9.0 HE3 LYS 90 - HA MET 21 far 0 100 0 - 6.1-7.3 HE3 LYS 94 - HA MET 21 far 0 79 0 - 7.2-10.3 HE2 LYS 94 - HA MET 21 far 0 92 0 - 7.5-10.3 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 3 assignments used, quality = 1.00: * HG3 MET 21 + HA MET 21 OK 100 100 100 100 2.1-2.6 3.9=100 HB3 MET 21 + HA MET 21 OK 100 100 100 100 2.7-2.8 3.0=100 HG3 GLU 17 - HA MET 21 far 0 79 0 - 7.5-9.7 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 5 assignments used, quality = 1.00: * QE MET 21 + HA MET 21 OK 100 100 100 100 2.1-2.8 994=98, 997/3.9=51...(23) HG3 GLU 104 - HA HIS 106 far 0 99 0 - 4.9-9.1 HB2 GLU 23 - HA MET 21 far 0 98 0 - 6.7-6.9 HB2 GLU 16 - HA MET 21 far 0 88 0 - 9.3-10.3 HB3 PRO 86 - HA MET 21 far 0 100 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 955 from cnoeabs.peaks (8.81, 4.41, 57.01 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 22 + HA MET 21 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 956 from cnoeabs.peaks (7.57, 4.41, 57.01 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 24 + HA MET 21 OK 100 100 100 100 3.2-3.6 6373=100, 1073/1072=82...(12) Violated in 0 structures by 0.00 A. Peak 957 from cnoeabs.peaks (1.96, 4.41, 57.01 ppm; 3.52 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LYS 24 + HA MET 21 OK 100 100 100 100 2.2-2.9 1072=100, 1061/6373=49...(7) HB3 LYS 24 - HA MET 21 far 15 100 15 - 3.4-4.5 HB3 LYS 20 - HA MET 21 far 0 81 0 - 3.9-4.5 HB2 GLU 17 - HA MET 21 far 0 91 0 - 6.8-7.4 HB3 ARG 19 - HA MET 21 far 0 71 0 - 7.3-8.0 QE MET 1 - HA HIS 106 far 0 94 0 - 8.9-15.7 Violated in 0 structures by 0.00 A. Peak 958 from cnoeabs.peaks (1.96, 4.41, 57.01 ppm; 3.52 A): 1 out of 6 assignments used, quality = 1.00: HB2 LYS 24 + HA MET 21 OK 100 100 100 100 2.2-2.9 1072=100, 1061/6373=49...(7) ! HB3 LYS 24 - HA MET 21 far 15 100 15 - 3.4-4.5 HB3 LYS 20 - HA MET 21 far 0 81 0 - 3.9-4.5 HB2 GLU 17 - HA MET 21 far 0 91 0 - 6.8-7.4 HB3 ARG 19 - HA MET 21 far 0 71 0 - 7.3-8.0 QE MET 1 - HA HIS 106 far 0 94 0 - 8.9-15.7 Violated in 0 structures by 0.00 A. Peak 959 from cnoeabs.peaks (3.77, 2.05, 32.03 ppm; 4.37 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 18 + HB2 MET 21 OK 100 100 100 100 2.5-3.2 770=100, 6319/6333=65...(11) HA ARG 19 - HB2 MET 21 far 0 70 0 - 5.1-6.0 HA ALA 18 - HB3 LYS 94 far 0 53 0 - 7.7-8.8 Violated in 0 structures by 0.00 A. Peak 960 from cnoeabs.peaks (7.68, 2.05, 32.03 ppm; 3.67 A): 1 out of 5 assignments used, quality = 1.00: * H MET 21 + HB2 MET 21 OK 100 100 100 100 2.1-2.1 6333=100, 6345/6347=60...(14) H GLU 98 - HB3 LYS 94 far 0 35 0 - 5.5-6.8 H ALA 25 - HB2 MET 21 far 0 84 0 - 6.2-6.6 H ALA 25 - HB3 LYS 94 far 0 38 0 - 6.4-7.8 H MET 21 - HB3 LYS 94 far 0 53 0 - 7.5-8.4 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 2.9-2.9 3.0=100 HA MET 21 - HB3 LYS 94 far 0 53 0 - 5.6-6.5 HA ALA 25 - HB3 LYS 94 far 0 53 0 - 5.8-7.7 HA ALA 25 - HB2 MET 21 far 0 100 0 - 8.0-8.8 Violated in 0 structures by 0.00 A. Peak 962 from cnoeabs.peaks (2.05, 2.05, 32.03 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 MET 21 + HB2 MET 21 OK 100 100 - 100 HB3 LYS 94 + HB3 LYS 94 OK 36 36 - 100 Peak 963 from cnoeabs.peaks (2.40, 2.05, 32.03 ppm; 3.60 A): 2 out of 6 assignments used, quality = 1.00: * HB3 MET 21 + HB2 MET 21 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 MET 21 + HB2 MET 21 OK 100 100 100 100 2.4-2.7 3.0=100 HB3 MET 21 - HB3 LYS 94 far 0 53 0 - 4.5-5.4 HG3 MET 21 - HB3 LYS 94 far 0 53 0 - 5.0-6.2 HG3 GLU 17 - HB2 MET 21 far 0 77 0 - 6.3-7.7 HG3 GLU 99 - HB3 LYS 94 far 0 25 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 964 from cnoeabs.peaks (2.94, 2.05, 32.03 ppm; 3.52 A): 1 out of 14 assignments used, quality = 1.00: * HG2 MET 21 + HB2 MET 21 OK 100 100 100 100 2.2-2.4 3.0=100 HE2 LYS 94 - HB3 LYS 94 poor 13 44 30 - 2.8-4.8 HE3 LYS 94 - HB3 LYS 94 poor 11 35 30 - 2.8-4.7 HG2 MET 21 - HB3 LYS 94 far 0 53 0 - 4.0-5.2 HE3 LYS 24 - HB2 MET 21 far 0 90 0 - 4.8-9.6 HE2 LYS 20 - HB2 MET 21 far 0 81 0 - 5.1-8.7 HE3 LYS 90 - HB2 MET 21 far 0 100 0 - 5.2-5.9 HE3 LYS 20 - HB2 MET 21 far 0 82 0 - 5.4-8.6 HE2 LYS 24 - HB2 MET 21 far 0 90 0 - 6.1-9.5 HE2 LYS 24 - HB3 LYS 94 far 0 42 0 - 6.6-11.3 HE3 LYS 90 - HB3 LYS 94 far 0 52 0 - 6.9-9.9 HE3 LYS 24 - HB3 LYS 94 far 0 42 0 - 6.9-11.6 HE2 LYS 94 - HB2 MET 21 far 0 92 0 - 8.3-10.9 HE3 LYS 94 - HB2 MET 21 far 0 79 0 - 8.4-10.5 Violated in 0 structures by 0.00 A. Peak 965 from cnoeabs.peaks (2.40, 2.05, 32.03 ppm; 3.60 A): 2 out of 6 assignments used, quality = 1.00: HB3 MET 21 + HB2 MET 21 OK 100 100 100 100 1.8-1.8 1.8=100 * HG3 MET 21 + HB2 MET 21 OK 100 100 100 100 2.4-2.7 3.0=100 HB3 MET 21 - HB3 LYS 94 far 0 53 0 - 4.5-5.4 HG3 MET 21 - HB3 LYS 94 far 0 53 0 - 5.0-6.2 HG3 GLU 17 - HB2 MET 21 far 0 79 0 - 6.3-7.7 HG3 GLU 99 - HB3 LYS 94 far 0 26 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 966 from cnoeabs.peaks (2.10, 2.05, 32.03 ppm; 2.94 A): 1 out of 7 assignments used, quality = 0.53: QE MET 21 + HB3 LYS 94 OK 53 53 100 100 2.0-2.5 995=100, 8536/7509=30...(12) ! QE MET 21 - HB2 MET 21 far 0 100 0 - 3.3-3.4 HB3 PRO 86 - HB2 MET 21 far 0 100 0 - 7.4-8.0 HB2 GLU 16 - HB2 MET 21 far 0 88 0 - 8.0-9.0 HB2 PRO 86 - HB2 MET 21 far 0 91 0 - 8.1-8.7 HB2 GLU 23 - HB2 MET 21 far 0 98 0 - 8.3-8.7 HB3 GLU 88 - HB3 LYS 94 far 0 43 0 - 9.9-11.2 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 2.8-3.0 6347=100, 6345/6333=80...(15) H ALA 22 - HB3 LYS 94 far 0 53 0 - 7.2-8.0 Violated in 0 structures by 0.00 A. Peak 968 from cnoeabs.peaks (3.77, 2.40, 32.03 ppm; 4.95 A): 2 out of 4 assignments used, quality = 1.00: * HA ALA 18 + HB3 MET 21 OK 100 100 100 100 3.6-4.3 770/1.8=98, 6319/4.0=66...(11) HA ALA 18 + HG3 MET 21 OK 83 98 85 100 4.6-5.4 770/3.0=86, 8490/1.8=68...(11) HA ARG 19 - HB3 MET 21 far 0 70 0 - 5.8-6.7 HA ARG 19 - HG3 MET 21 far 0 65 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 969 from cnoeabs.peaks (7.68, 2.40, 32.03 ppm; 4.05 A): 2 out of 5 assignments used, quality = 1.00: * H MET 21 + HB3 MET 21 OK 100 100 100 100 3.3-3.4 4.0=100 H MET 21 + HG3 MET 21 OK 98 98 100 100 3.2-3.6 6333/3.0=76, 6331/1.8=72...(13) H ALA 25 - HB3 MET 21 far 0 84 0 - 5.0-5.4 H ALA 25 - HG3 MET 21 far 0 80 0 - 6.5-7.1 H GLU 98 - HB3 MET 21 far 0 79 0 - 8.9-9.9 Violated in 0 structures by 0.00 A. Peak 970 from cnoeabs.peaks (4.41, 2.40, 32.03 ppm; 4.06 A): 2 out of 4 assignments used, quality = 1.00: * HA MET 21 + HB3 MET 21 OK 100 100 100 100 2.7-2.8 3.0=100 HA MET 21 + HG3 MET 21 OK 98 98 100 100 2.1-2.6 3.9=100 HA ALA 25 - HB3 MET 21 far 0 100 0 - 6.5-7.3 HA ALA 25 - HG3 MET 21 far 0 98 0 - 8.0-8.9 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 10 assignments used, quality = 1.00: * HB2 MET 21 + HB3 MET 21 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 MET 21 + HG3 MET 21 OK 98 98 100 100 2.4-2.7 3.0=100 HG12 ILE 93 - HB3 MET 21 far 0 98 0 - 4.1-5.0 HB3 LYS 94 - HB3 MET 21 far 0 81 0 - 4.5-5.4 HB3 LYS 94 - HG3 MET 21 far 0 76 0 - 5.0-6.2 HG12 ILE 93 - HG3 MET 21 far 0 94 0 - 6.8-7.8 HB2 GLU 23 - HB3 MET 21 far 0 65 0 - 8.3-8.5 HB2 GLU 16 - HG3 MET 21 far 0 81 0 - 8.6-9.8 HB2 GLU 23 - HG3 MET 21 far 0 62 0 - 8.7-9.3 HB2 GLU 16 - HB3 MET 21 far 0 85 0 - 9.8-10.7 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 2.4-2.7 3.0=86, 997/4.3=24...(17) HE3 LYS 24 - HG3 MET 21 far 0 85 0 - 3.5-8.1 HE3 LYS 90 - HG3 MET 21 far 0 98 0 - 4.1-5.1 HE2 LYS 20 - HG3 MET 21 far 0 76 0 - 4.2-9.3 HE2 LYS 24 - HG3 MET 21 far 0 85 0 - 4.5-8.1 HE3 LYS 24 - HB3 MET 21 far 0 90 0 - 4.8-9.0 HE3 LYS 20 - HG3 MET 21 far 0 78 0 - 4.8-8.7 HE2 LYS 24 - HB3 MET 21 far 0 90 0 - 5.8-9.2 HE3 LYS 90 - HB3 MET 21 far 0 100 0 - 6.2-7.3 HE2 LYS 20 - HB3 MET 21 far 0 81 0 - 6.6-10.2 HE2 LYS 94 - HG3 MET 21 far 0 88 0 - 6.7-9.9 HE3 LYS 20 - HB3 MET 21 far 0 82 0 - 6.9-10.2 HE2 LYS 94 - HB3 MET 21 far 0 92 0 - 7.1-9.6 HE3 LYS 94 - HG3 MET 21 far 0 75 0 - 7.2-9.6 HE3 LYS 94 - HB3 MET 21 far 0 79 0 - 7.2-9.2 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 10 assignments used, quality = 1.00: * QE MET 21 + HB3 MET 21 OK 98 100 100 98 1.9-2.1 997/3.0=56, 4.3=52...(12) QE MET 21 + HG3 MET 21 OK 98 98 100 100 2.6-3.4 3.4=100 HB3 PRO 86 - HG3 MET 21 far 0 97 0 - 7.4-8.4 HB2 GLU 23 - HB3 MET 21 far 0 98 0 - 8.3-8.5 HB2 PRO 86 - HG3 MET 21 far 0 87 0 - 8.5-9.5 HB2 GLU 16 - HG3 MET 21 far 0 84 0 - 8.6-9.8 HB2 GLU 23 - HG3 MET 21 far 0 95 0 - 8.7-9.3 HB3 PRO 86 - HB3 MET 21 far 0 100 0 - 8.8-9.3 HB2 PRO 86 - HB3 MET 21 far 0 91 0 - 9.6-10.2 HB2 GLU 16 - HB3 MET 21 far 0 88 0 - 9.8-10.7 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 2.8-3.0 4.6=100 H ALA 22 + HG3 MET 21 OK 98 98 100 100 4.8-4.9 6347/3.0=94, 984/1.8=82...(16) Violated in 0 structures by 0.00 A. Peak 977 from cnoeabs.peaks (7.68, 2.94, 31.91 ppm; 4.35 A increased from 4.09 A): 1 out of 3 assignments used, quality = 1.00: * H MET 21 + HG2 MET 21 OK 100 100 100 100 3.7-4.2 6335=100, 6333/3.0=83...(15) H ALA 25 - HG2 MET 21 far 0 84 0 - 6.9-7.6 H GLU 98 - HG2 MET 21 far 0 79 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 978 from cnoeabs.peaks (4.41, 2.94, 31.91 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 21 + HG2 MET 21 OK 100 100 100 100 3.4-3.6 3.9=100 HA ALA 25 - HG2 MET 21 far 0 100 0 - 7.9-9.3 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 6 assignments used, quality = 1.00: * HB2 MET 21 + HG2 MET 21 OK 100 100 100 100 2.2-2.4 3.0=100 HB3 LYS 94 - HG2 MET 21 far 0 81 0 - 4.0-5.2 HG12 ILE 93 - HG2 MET 21 far 0 98 0 - 5.6-6.6 HB2 GLU 16 - HG2 MET 21 far 0 85 0 - 8.7-10.7 HB3 GLU 88 - HG2 MET 21 far 0 82 0 - 9.7-10.2 HB2 GLU 23 - HG2 MET 21 far 0 65 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 980 from cnoeabs.peaks (2.40, 2.94, 31.91 ppm; 2.89 A): 2 out of 3 assignments used, quality = 1.00: HG3 MET 21 + HG2 MET 21 OK 100 100 100 100 1.8-1.8 1.8=100 * HB3 MET 21 + HG2 MET 21 OK 98 100 100 98 2.4-2.7 3.0=89, 4.3/997=25...(17) HG3 GLU 17 - HG2 MET 21 far 0 77 0 - 5.6-8.3 Violated in 0 structures by 0.00 A. Peak 981 from cnoeabs.peaks (2.94, 2.94, 31.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 21 + HG2 MET 21 OK 100 100 - 100 Peak 982 from cnoeabs.peaks (2.40, 2.94, 31.91 ppm; 2.89 A): 2 out of 3 assignments used, quality = 1.00: * HG3 MET 21 + HG2 MET 21 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 MET 21 + HG2 MET 21 OK 98 100 100 98 2.4-2.7 3.0=89, 4.3/997=25...(17) HG3 GLU 17 - HG2 MET 21 far 0 79 0 - 5.6-8.3 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 2.7-3.4 3.4=100 HB3 PRO 86 - HG2 MET 21 far 0 100 0 - 6.7-8.0 HB2 PRO 86 - HG2 MET 21 far 0 91 0 - 7.8-9.2 HB2 GLU 16 - HG2 MET 21 far 0 88 0 - 8.7-10.7 HB3 GLU 88 - HG2 MET 21 far 0 91 0 - 9.7-10.2 HB2 GLU 23 - HG2 MET 21 far 0 98 0 - 9.9-10.3 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 4.9-5.1 6347/3.0=94, 6349=86...(18) Violated in 0 structures by 0.00 A. Peak 985 from cnoeabs.peaks (7.68, 2.40, 31.91 ppm; 4.05 A): 2 out of 5 assignments used, quality = 1.00: * H MET 21 + HG3 MET 21 OK 100 100 100 100 3.2-3.6 6333/3.0=76, 6331/1.8=72...(13) H MET 21 + HB3 MET 21 OK 98 98 100 100 3.3-3.4 4.0=100 H ALA 25 - HB3 MET 21 far 0 80 0 - 5.0-5.4 H ALA 25 - HG3 MET 21 far 0 84 0 - 6.5-7.1 H GLU 98 - HB3 MET 21 far 0 75 0 - 8.9-9.9 Violated in 0 structures by 0.00 A. Peak 986 from cnoeabs.peaks (4.41, 2.40, 31.91 ppm; 4.06 A): 2 out of 4 assignments used, quality = 1.00: * HA MET 21 + HG3 MET 21 OK 100 100 100 100 2.1-2.6 3.9=100 HA MET 21 + HB3 MET 21 OK 98 98 100 100 2.7-2.8 3.0=100 HA ALA 25 - HB3 MET 21 far 0 98 0 - 6.5-7.3 HA ALA 25 - HG3 MET 21 far 0 100 0 - 8.0-8.9 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 10 assignments used, quality = 1.00: * HB2 MET 21 + HG3 MET 21 OK 100 100 100 100 2.4-2.7 3.0=100 HB2 MET 21 + HB3 MET 21 OK 98 98 100 100 1.8-1.8 1.8=100 HG12 ILE 93 - HB3 MET 21 far 0 94 0 - 4.1-5.0 HB3 LYS 94 - HB3 MET 21 far 0 76 0 - 4.5-5.4 HB3 LYS 94 - HG3 MET 21 far 0 81 0 - 5.0-6.2 HG12 ILE 93 - HG3 MET 21 far 0 98 0 - 6.8-7.8 HB2 GLU 23 - HB3 MET 21 far 0 62 0 - 8.3-8.5 HB2 GLU 16 - HG3 MET 21 far 0 85 0 - 8.6-9.8 HB2 GLU 23 - HG3 MET 21 far 0 65 0 - 8.7-9.3 HB2 GLU 16 - HB3 MET 21 far 0 81 0 - 9.8-10.7 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 2.4-2.7 3.0=86, 997/4.3=24...(17) HE3 LYS 24 - HG3 MET 21 far 0 90 0 - 3.5-8.1 HE3 LYS 90 - HG3 MET 21 far 0 100 0 - 4.1-5.1 HE2 LYS 20 - HG3 MET 21 far 0 81 0 - 4.2-9.3 HE2 LYS 24 - HG3 MET 21 far 0 90 0 - 4.5-8.1 HE3 LYS 24 - HB3 MET 21 far 0 85 0 - 4.8-9.0 HE3 LYS 20 - HG3 MET 21 far 0 82 0 - 4.8-8.7 HE2 LYS 24 - HB3 MET 21 far 0 85 0 - 5.8-9.2 HE3 LYS 90 - HB3 MET 21 far 0 98 0 - 6.2-7.3 HE2 LYS 20 - HB3 MET 21 far 0 76 0 - 6.6-10.2 HE2 LYS 94 - HG3 MET 21 far 0 92 0 - 6.7-9.9 HE3 LYS 20 - HB3 MET 21 far 0 78 0 - 6.9-10.2 HE2 LYS 94 - HB3 MET 21 far 0 88 0 - 7.1-9.6 HE3 LYS 94 - HG3 MET 21 far 0 79 0 - 7.2-9.6 HE3 LYS 94 - HB3 MET 21 far 0 75 0 - 7.2-9.2 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 10 assignments used, quality = 1.00: * QE MET 21 + HG3 MET 21 OK 100 100 100 100 2.6-3.4 3.4=100 QE MET 21 + HB3 MET 21 OK 96 98 100 98 1.9-2.1 997/3.0=56, 4.3=52...(12) HB3 PRO 86 - HG3 MET 21 far 0 100 0 - 7.4-8.4 HB2 GLU 23 - HB3 MET 21 far 0 95 0 - 8.3-8.5 HB2 PRO 86 - HG3 MET 21 far 0 91 0 - 8.5-9.5 HB2 GLU 16 - HG3 MET 21 far 0 88 0 - 8.6-9.8 HB2 GLU 23 - HG3 MET 21 far 0 98 0 - 8.7-9.3 HB3 PRO 86 - HB3 MET 21 far 0 97 0 - 8.8-9.3 HB2 PRO 86 - HB3 MET 21 far 0 87 0 - 9.6-10.2 HB2 GLU 16 - HB3 MET 21 far 0 84 0 - 9.8-10.7 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 4.8-4.9 6347/3.0=94, 984/1.8=82...(16) H ALA 22 + HB3 MET 21 OK 98 98 100 100 2.8-3.0 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): 1 out of 3 assignments used, quality = 0.83: H ALA 25 + QE MET 21 OK 83 84 100 99 3.4-3.9 2.9/8551=76, 8612=64...(10) ! H MET 21 - QE MET 21 poor 20 100 20 100 4.2-4.4 3.0/954=66, 6345/6351=58...(12) H GLU 98 - QE MET 21 far 0 79 0 - 5.5-6.7 Violated in 0 structures by 0.00 A. Peak 994 from cnoeabs.peaks (4.41, 2.10, 17.93 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 21 + QE MET 21 OK 100 100 100 100 2.1-2.8 954=100, 3.9/997=52...(23) HA ALA 25 - QE MET 21 far 15 100 15 - 3.8-4.6 Violated in 0 structures by 0.00 A. Peak 995 from cnoeabs.peaks (2.05, 2.10, 17.93 ppm; 2.40 A): 1 out of 10 assignments used, quality = 0.64: HB3 LYS 94 + QE MET 21 OK 64 81 100 79 2.0-2.5 966=54, 7509/8536=18...(8) ! HB2 MET 21 - QE MET 21 far 0 100 0 - 3.3-3.4 HG12 ILE 93 - QE MET 21 far 0 98 0 - 4.5-5.2 HB2 GLU 98 - QE MET 21 far 0 100 0 - 6.5-7.9 HB2 GLU 23 - QE MET 21 far 0 65 0 - 7.1-7.5 HB3 GLU 98 - QE MET 21 far 0 100 0 - 7.8-8.9 HB2 GLU 99 - QE MET 21 far 0 100 0 - 8.7-11.6 HB3 GLU 88 - QE MET 21 far 0 82 0 - 9.4-10.2 HB3 GLU 99 - QE MET 21 far 0 98 0 - 9.7-11.2 HB2 GLU 16 - QE MET 21 far 0 85 0 - 9.9-10.8 Violated in 2 structures by 0.00 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 2.6-3.4 3.4=100 * HB3 MET 21 + QE MET 21 OK 99 100 100 99 1.9-2.1 3.0/997=60, 4.3=58...(12) HG3 GLU 17 - QE MET 21 far 0 77 0 - 7.8-9.5 HG3 GLU 99 - QE MET 21 far 0 59 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 997 from cnoeabs.peaks (2.94, 2.10, 17.93 ppm; 3.26 A): 1 out of 8 assignments used, quality = 0.99: * HG2 MET 21 + QE MET 21 OK 99 100 100 99 2.7-3.4 3.4=91, 3.9/954=34...(17) HE3 LYS 94 - QE MET 21 far 0 79 0 - 3.6-6.1 HE2 LYS 94 - QE MET 21 far 0 92 0 - 3.9-6.1 HE2 LYS 24 - QE MET 21 far 0 90 0 - 3.9-7.4 HE3 LYS 24 - QE MET 21 far 0 90 0 - 4.1-7.5 HE3 LYS 90 - QE MET 21 far 0 100 0 - 5.6-7.4 HE2 LYS 20 - QE MET 21 far 0 81 0 - 6.8-10.1 HE3 LYS 20 - QE MET 21 far 0 82 0 - 7.1-9.9 Violated in 4 structures by 0.02 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 2.6-3.4 3.4=100 HB3 MET 21 + QE MET 21 OK 99 100 100 99 1.9-2.1 3.0/997=60, 4.3=58...(12) HG3 GLU 17 - QE MET 21 far 0 79 0 - 7.8-9.5 HG3 GLU 99 - QE MET 21 far 0 61 0 - 9.2-10.4 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 3.8-3.9 6351=100, 3.6/954=89...(15) 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 - 9.2-9.7 H SER 59 - HA ALA 67 far 0 57 0 - 9.6-10.0 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): 2 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 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 11 50 85 27 2.5-3.3 ~9526=14, 2.1/1659=5...(6) HB2 LEU 27 - HA ALA 22 far 9 90 10 - 3.0-3.9 HB2 LEU 38 - HA ALA 67 far 0 55 0 - 4.1-5.2 QB ALA 71 - HA ALA 67 far 0 49 0 - 4.2-4.7 HG13 ILE 76 - HA ALA 71 far 0 61 0 - 4.5-5.3 HG3 LYS 39 - HA ALA 71 far 0 60 0 - 5.8-8.4 HG LEU 29 - HA ALA 22 far 0 100 0 - 6.3-6.6 HG3 LYS 39 - HA ALA 67 far 0 64 0 - 7.1-10.3 HB2 LEU 38 - HA ALA 71 far 0 51 0 - 7.1-8.9 HG LEU 38 - HA ALA 71 far 0 46 0 - 7.2-7.9 HG2 LYS 20 - HA ALA 22 far 0 90 0 - 7.2-9.6 HG12 ILE 7 - HA ALA 22 far 0 99 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 1004 from cnoeabs.peaks (8.28, 3.83, 55.43 ppm; 3.56 A): 2 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...(12) H ALA 71 + HA ALA 71 OK 54 54 100 100 2.8-2.8 3.0=100 H LEU 27 - HA ALA 22 far 7 68 10 - 3.8-4.2 H ALA 71 - HA ALA 67 far 0 58 0 - 4.0-4.4 H LYS 94 - HA ALA 22 far 0 98 0 - 6.1-6.8 H PHE 45 - HA ALA 71 far 0 54 0 - 8.6-9.1 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 3.1-3.6 6394=100, 6408/1154=56...(15) H MET 74 + HA ALA 71 OK 31 33 100 95 3.5-3.7 9590/2.1=33, 4.8/9613=31...(14) H MET 21 - HA ALA 22 far 0 84 0 - 5.2-5.4 H LEU 64 - HA ALA 67 far 0 64 0 - 6.9-7.1 H MET 74 - HA ALA 67 far 0 36 0 - 8.8-9.2 H GLU 37 - HA ALA 67 far 0 42 0 - 9.1-9.9 H ASN 60 - HA ALA 67 far 0 55 0 - 9.7-10.0 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 15 assignments used, quality = 0.99: * QB ALA 25 + HA ALA 22 OK 96 100 100 96 2.3-3.2 1154=60, 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 13 43 50 58 3.1-3.7 3.9/7140=20, 3.0/9539=17...(6) HB3 LEU 42 - HA ALA 71 far 0 33 0 - 3.9-4.5 HB2 LEU 70 - HA ALA 71 far 0 40 0 - 4.2-4.5 HB3 LEU 27 - HA ALA 22 far 0 100 0 - 4.7-5.7 HG2 LYS 39 - HA ALA 71 far 0 60 0 - 5.4-6.6 HG3 LYS 68 - HA ALA 67 far 0 63 0 - 6.3-6.6 QB ALA 67 - HA ALA 71 far 0 61 0 - 6.4-6.9 HG12 ILE 8 - HA ALA 67 far 0 50 0 - 6.9-7.3 QB ALA 89 - HA ALA 22 far 0 100 0 - 7.3-7.7 HG2 LYS 39 - HA ALA 67 far 0 64 0 - 7.5-9.3 HB3 LEU 42 - HA ALA 67 far 0 36 0 - 8.1-8.8 HG3 LYS 68 - HA ALA 71 far 0 58 0 - 8.2-8.6 HG2 LYS 94 - HA ALA 22 far 0 100 0 - 8.3-10.1 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 2.3-2.8 787=60, 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 - 4.3-4.8 HA SER 97 - QB ALA 22 far 0 100 0 - 7.0-8.1 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 - 9.1-9.7 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 4 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 89 95 100 94 2.3-2.8 787=55, 786/6353=28...(17) HA LYS 94 - QB ALA 22 far 0 59 0 - 6.6-7.4 HA SER 97 - QB ALA 22 far 0 99 0 - 7.0-8.1 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 2.5-2.7 6363=100, 6354/6353=63...(18) H LEU 27 + QB ALA 22 OK 27 68 60 66 3.6-4.0 8638/2.1=27, 8637/4.5=19...(8) H LYS 94 - QB ALA 22 far 0 98 0 - 6.4-7.1 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 2.8-2.8 3.0=100 H LEU 27 + HA GLU 23 OK 34 68 65 76 3.3-3.9 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 2.4-2.5 3.0=100 QE MET 21 - HA GLU 23 far 0 98 0 - 6.4-6.6 HG3 GLU 28 - HA GLU 23 far 0 88 0 - 7.1-9.2 HG2 GLU 28 - HA GLU 23 far 0 88 0 - 7.1-9.4 HB2 MET 21 - HA GLU 23 far 0 65 0 - 7.9-8.0 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; 3.82 A increased from 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 23 + HA GLU 23 OK 100 100 100 100 3.5-3.8 1.8/1043=81, 4.2=77...(13) Violated in 0 structures by 0.00 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 2.3-2.7 1043=100, 1.8/1016=75...(21) 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 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 1019 from cnoeabs.peaks (4.05, 2.09, 29.16 ppm; 3.18 A): 1 out of 9 assignments used, quality = 0.95: HA GLU 16 + HB2 GLU 16 OK 95 95 100 100 2.8-3.0 3.0=100 HA GLU 17 - HB2 GLU 16 far 0 96 0 - 3.8-4.4 ! HA LYS 20 - HB2 GLU 23 far 0 100 0 - 4.5-5.0 HA LYS 66 - HB3 GLU 35 far 0 68 0 - 6.2-7.3 HA LYS 20 - HB2 GLU 16 far 0 96 0 - 7.1-7.9 HA PRO 86 - HB2 GLU 16 far 0 55 0 - 7.7-8.6 HA LEU 70 - HB3 GLU 35 far 0 58 0 - 7.8-9.1 HA ARG 46 - HB3 GLU 43 far 0 62 0 - 7.9-8.1 HA GLU 16 - HB2 GLU 23 far 0 100 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 1020 from cnoeabs.peaks (8.28, 2.09, 29.16 ppm; 3.64 A increased from 3.43 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 23 + HB2 GLU 23 OK 100 100 100 100 3.6-3.6 6365=89, 6366/1.8=83...(8) H PHE 45 - HB3 GLU 43 far 0 69 0 - 4.7-5.1 H LEU 27 - HB2 GLU 23 far 0 68 0 - 5.7-6.2 H ALA 71 - HB3 GLU 35 far 0 80 0 - 8.9-10.0 H GLU 23 - HB2 GLU 16 far 0 96 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 1021 from cnoeabs.peaks (4.15, 2.09, 29.16 ppm; 3.04 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 23 + HB2 GLU 23 OK 100 100 100 100 2.4-2.5 3.0=100 HA LYS 13 + HB2 GLU 16 OK 46 95 60 81 3.0-3.8 493=58, 6226/6237=32...(5) HA LYS 47 - HB3 GLU 43 far 0 76 0 - 7.9-9.1 HA GLU 62 - HB3 GLU 35 far 0 69 0 - 8.6-10.2 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): 2 out of 10 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 poor 15 44 35 - 2.2-3.0 HB2 PRO 86 - HB2 GLU 16 far 0 63 0 - 6.1-7.1 HG2 GLU 44 - HB3 GLU 43 far 0 66 0 - 6.5-6.9 HB2 GLU 69 - HB3 GLU 35 far 0 66 0 - 7.9-9.1 HB3 GLU 37 - HB3 GLU 35 far 0 65 0 - 8.5-9.0 HB3 GLU 69 - HB3 GLU 35 far 0 66 0 - 8.7-9.9 HB3 GLU 37 - HB3 GLU 43 far 0 54 0 - 9.4-10.1 HG2 GLU 69 - HB3 GLU 35 far 0 66 0 - 9.4-11.2 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 9 assignments used, quality = 1.00: * HG2 GLU 23 + HB2 GLU 23 OK 99 100 100 99 2.7-3.0 2.9=87, 4303/1.8=52...(13) HG3 GLU 16 + HB2 GLU 16 OK 71 74 100 97 2.2-2.8 3.0=77, 1.8/713=28...(17) HG2 GLU 17 - HB2 GLU 16 far 0 77 0 - 3.4-5.7 HG2 GLU 62 - HB3 GLU 35 far 0 87 0 - 6.8-10.1 HG2 GLU 63 - HB3 GLU 35 far 0 69 0 - 7.0-9.2 HG2 GLU 37 - HB3 GLU 35 far 0 84 0 - 7.1-9.4 HG3 GLU 62 - HB3 GLU 35 far 0 87 0 - 7.7-11.5 HG2 GLU 23 - HB2 GLU 16 far 0 96 0 - 9.0-9.9 HG2 GLU 37 - HB3 GLU 43 far 0 72 0 - 9.9-12.1 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 7 assignments used, quality = 1.00: * HG3 GLU 23 + HB2 GLU 23 OK 100 100 100 100 2.7-2.9 2.9=100 HB2 ASP 36 - HB3 GLU 35 far 0 81 0 - 5.9-7.4 HB3 ASP 36 - HB3 GLU 35 far 0 80 0 - 6.2-7.4 HG3 GLU 63 - HB3 GLU 35 far 0 69 0 - 7.3-8.9 HG2 MET 74 - HB3 GLU 43 far 0 41 0 - 8.2-9.8 HB3 ASP 36 - HB3 GLU 43 far 0 69 0 - 9.4-11.5 HB2 ASP 36 - HB3 GLU 43 far 0 70 0 - 9.8-12.0 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 3 assignments used, quality = 0.99: * H LYS 24 + HB2 GLU 23 OK 98 100 100 98 3.8-4.0 1034/1.8=69, 4.6=54...(7) H GLU 44 + HB3 GLU 43 OK 53 54 100 97 2.4-2.7 4.4=64, 6706/1.8=55...(8) H LEU 14 - HB2 GLU 16 far 0 84 0 - 5.3-6.4 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 2.4-2.9 3.0=100 * HA LYS 20 + HB3 GLU 23 OK 64 100 100 64 3.0-3.5 855/6366=33...(4) HA GLU 95 + HB3 GLU 95 OK 45 45 100 100 2.3-3.0 3.0=100 HA LYS 66 + HB2 GLU 69 OK 35 45 100 77 2.1-2.5 2883=45, 7119/4.0=25...(9) HA LYS 66 - HB3 GLU 69 far 0 45 0 - 3.5-4.0 HA LEU 70 - HB3 GLU 69 far 0 38 0 - 3.9-4.1 HA GLU 17 - HB3 GLU 16 far 0 95 0 - 4.1-4.9 HA LEU 70 - HB2 GLU 69 far 0 38 0 - 4.5-4.7 HB2 SER 49 - HB3 GLN 50 far 0 66 0 - 5.6-7.0 HA LYS 20 - HB3 GLU 16 far 0 95 0 - 5.8-8.7 HA PRO 86 - HB3 GLU 16 far 0 54 0 - 8.0-9.4 HA ARG 46 - HB3 GLN 50 far 0 54 0 - 8.2-8.9 HA GLU 16 - HB3 GLU 23 far 0 100 0 - 8.4-9.6 HA GLU 17 - HB3 GLU 23 far 0 100 0 - 8.6-9.2 Violated in 0 structures by 0.00 A. Peak 1028 from cnoeabs.peaks (8.28, 2.15, 29.16 ppm; 3.40 A): 1 out of 7 assignments used, quality = 1.00: * H GLU 23 + HB3 GLU 23 OK 100 100 100 100 2.5-2.7 6366=100, 1020/1.8=65...(10) H LYS 94 - HB3 GLU 95 far 0 63 0 - 4.4-6.2 H ALA 71 - HB2 GLU 69 far 0 55 0 - 4.9-5.3 H ALA 71 - HB3 GLU 69 far 0 55 0 - 5.3-5.7 H LEU 27 - HB3 GLU 23 far 0 68 0 - 6.1-6.6 H LEU 103 - HB3 GLU 95 far 0 63 0 - 7.3-17.3 H GLU 23 - HB3 GLU 16 far 0 95 0 - 8.9-11.2 Violated in 0 structures by 0.00 A. Peak 1029 from cnoeabs.peaks (4.15, 2.15, 29.16 ppm; 3.26 A): 1 out of 11 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 far 9 94 10 - 2.4-5.1 HA GLU 99 - HB3 GLU 95 far 0 53 0 - 6.0-8.1 HA MET 1 - HB3 GLN 50 far 0 64 0 - 6.2-7.5 HA LYS 73 - HB3 GLU 69 far 0 46 0 - 6.5-6.9 HA GLN 72 - HB3 GLU 69 far 0 60 0 - 7.2-7.7 HA LYS 47 - HB3 GLN 50 far 0 67 0 - 7.4-8.7 HA GLU 62 - HB2 GLU 69 far 0 46 0 - 7.6-7.9 HA GLN 72 - HB2 GLU 69 far 0 60 0 - 7.7-8.2 HA LYS 73 - HB2 GLU 69 far 0 46 0 - 7.9-8.3 HA GLU 62 - HB3 GLU 69 far 0 46 0 - 9.0-9.3 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 20 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 - 5.1-6.2 QE MET 21 - HB3 GLU 23 far 0 98 0 - 6.0-6.5 HB2 PRO 86 - HB3 GLU 16 far 0 64 0 - 6.3-8.1 QE MET 21 - HB3 GLU 95 far 0 63 0 - 6.5-8.0 HB2 MET 21 - HB3 GLU 23 far 0 65 0 - 6.6-7.1 HB3 PRO 86 - HB3 GLU 16 far 0 86 0 - 7.2-8.5 HB2 MET 21 - HB3 GLU 16 far 0 58 0 - 7.9-9.9 HB3 GLU 35 - HB2 GLU 69 far 0 61 0 - 7.9-9.1 HB3 LEU 38 - HB2 GLU 69 far 0 57 0 - 8.2-10.1 HB2 LEU 64 - HB2 GLU 69 far 0 45 0 - 8.5-8.9 HB3 GLU 88 - HB3 GLU 95 far 0 64 0 - 8.6-10.4 HB3 GLU 35 - HB3 GLU 69 far 0 61 0 - 8.7-9.9 HB3 LEU 38 - HB3 GLU 69 far 0 57 0 - 9.1-11.1 HG3 GLU 28 - HB3 GLU 23 far 0 88 0 - 9.6-11.9 QE MET 21 - HB3 GLU 16 far 0 91 0 - 9.7-11.6 HG2 GLU 28 - HB3 GLU 23 far 0 88 0 - 9.9-12.1 HB2 MET 74 - HB3 GLU 69 far 0 47 0 - 9.9-11.0 HB3 GLU 62 - HB2 GLU 69 far 0 62 0 - 9.9-10.2 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 2.2-2.3 2.9=95, 1024/1.8=40...(15) HG3 GLU 16 + HB3 GLU 16 OK 71 72 100 98 2.2-2.9 3.0=84, 1024/1.8=29...(17) HG2 GLU 95 + HB3 GLU 95 OK 66 67 100 99 2.3-3.0 2.9=93, 4302/1.8=70...(9) HB2 GLU 48 - HB3 GLN 50 far 0 47 0 - 3.4-5.0 HG2 GLU 17 - HB3 GLU 16 far 0 76 0 - 3.9-6.9 HB3 GLN 72 - HB3 GLU 69 far 0 35 0 - 4.4-5.1 HB3 GLN 72 - HB2 GLU 69 far 0 35 0 - 5.0-5.6 HG3 GLU 62 - HB2 GLU 69 far 0 61 0 - 7.6-10.0 HG2 GLU 62 - HB2 GLU 69 far 0 61 0 - 7.6-9.8 HG2 GLU 23 - HB3 GLU 16 far 0 95 0 - 7.7-10.7 HD3 ARG 81 - HB3 GLU 95 far 0 34 0 - 8.3-11.4 HG3 GLU 62 - HB3 GLU 69 far 0 61 0 - 8.7-11.2 HG2 GLU 62 - HB3 GLU 69 far 0 61 0 - 8.8-10.9 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 2.7-3.0 2.9=100 HG3 GLU 95 + HB3 GLU 95 OK 38 38 100 100 2.2-3.0 2.9=100 HG3 GLU 98 - HB3 GLU 95 far 0 59 0 - 5.7-7.3 HD2 ARG 91 - HB3 GLU 95 far 0 66 0 - 5.9-8.1 HG2 MET 74 - HB3 GLU 69 far 0 32 0 - 7.4-8.6 HG2 MET 74 - HB2 GLU 69 far 0 32 0 - 8.1-9.2 HG3 GLU 23 - HB3 GLU 16 far 0 95 0 - 8.9-12.0 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 = 0.99: * H LYS 24 + HB3 GLU 23 OK 99 100 100 99 2.7-2.9 6376/6366=66, 4.6=63...(8) H LEU 14 - HB3 GLU 16 far 0 83 0 - 4.9-7.4 H ILE 76 - HB3 GLU 69 far 0 57 0 - 9.7-10.1 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 4 assignments used, quality = 1.00: * H GLU 23 + HG2 GLU 23 OK 100 100 100 100 2.3-3.1 6367=94, 1042/1.8=85...(10) H LYS 94 - HG2 GLU 95 far 8 83 10 - 4.3-6.2 H LEU 27 - HG2 GLU 23 far 0 68 0 - 6.6-7.3 H LEU 103 - HG2 GLU 95 far 0 83 0 - 9.4-16.7 Violated in 0 structures by 0.00 A. Peak 1036 from cnoeabs.peaks (4.15, 2.27, 36.23 ppm; 3.26 A): 2 out of 8 assignments used, quality = 0.62: HA GLU 62 + HG2 GLU 62 OK 39 41 100 95 2.1-3.5 4.0=56, 2728/1.8=25...(19) HA GLU 62 + HG3 GLU 62 OK 38 41 100 92 2.2-3.5 4.0=56, 2728/1.8=26...(12) HA LYS 13 - HG3 GLU 16 poor 15 48 50 63 2.7-4.0 493/3.0=45, 6226/6240=26...(5) ! HA GLU 23 - HG2 GLU 23 far 15 100 15 - 3.5-3.8 HA LYS 13 - HG2 GLU 17 far 0 53 0 - 4.1-6.5 HB2 SER 59 - HG2 GLU 63 far 0 53 0 - 4.8-6.6 HA GLU 62 - HG2 GLU 63 far 0 42 0 - 5.7-7.3 HA GLU 99 - HG2 GLU 95 far 0 71 0 - 6.4-9.5 Violated in 0 structures by 0.00 A. Peak 1037 from cnoeabs.peaks (2.09, 2.27, 36.23 ppm; 2.60 A): 3 out of 28 assignments used, quality = 0.86: * HB2 GLU 23 + HG2 GLU 23 OK 56 100 60 93 2.7-3.0 2.9=73, 3.0/1016=25...(11) HB2 GLU 16 + HG3 GLU 16 OK 43 47 100 92 2.2-2.8 3.0=64, 700/1.8=28...(15) HB3 GLU 62 + HG3 GLU 62 OK 42 55 90 85 2.3-3.0 2.9=70, 7007/4.9=15...(8) HB3 PRO 86 - HG2 GLU 17 poor 12 47 25 - 2.0-4.0 HB3 GLU 62 - HG2 GLU 62 far 8 55 15 - 2.6-3.0 HB2 PRO 86 - HG2 GLU 17 poor 6 32 20 - 2.8-4.1 HB2 GLU 16 - HG2 GLU 17 far 0 51 0 - 3.4-5.7 HB3 GLU 62 - HG2 GLU 63 far 0 56 0 - 4.3-6.9 QE MET 21 - HG2 GLU 95 far 0 83 0 - 6.1-8.0 HB2 MET 21 - HG2 GLU 23 far 0 65 0 - 6.6-7.6 HB2 MET 21 - HG2 GLU 17 far 0 29 0 - 6.7-7.9 HB3 GLU 35 - HG2 GLU 62 far 0 54 0 - 6.8-10.1 QE MET 21 - HG2 GLU 23 far 0 98 0 - 6.8-7.6 HB2 LEU 64 - HG2 GLU 63 far 0 41 0 - 6.9-7.4 HB3 GLU 35 - HG2 GLU 63 far 0 56 0 - 7.0-9.2 HB2 LEU 64 - HG3 GLU 62 far 0 40 0 - 7.0-8.3 HB2 LEU 64 - HG2 GLU 62 far 0 40 0 - 7.1-8.3 HB2 PRO 86 - HG3 GLU 16 far 0 29 0 - 7.6-8.8 HB3 GLU 35 - HG3 GLU 62 far 0 54 0 - 7.7-11.5 HB3 LEU 38 - HG2 GLU 63 far 0 52 0 - 8.0-9.6 HB3 GLU 88 - HG2 GLU 95 far 0 85 0 - 8.1-10.7 QE MET 21 - HG2 GLU 17 far 0 51 0 - 8.4-9.9 HB3 PRO 86 - HG3 GLU 16 far 0 42 0 - 8.4-9.5 HG3 GLU 28 - HG2 GLU 23 far 0 88 0 - 8.8-11.2 HB2 GLU 16 - HG2 GLU 23 far 0 99 0 - 9.0-9.9 HG2 GLU 28 - HG2 GLU 23 far 0 88 0 - 9.2-11.6 HB2 MET 21 - HG2 GLU 95 far 0 51 0 - 9.5-12.2 HB VAL 83 - HG2 GLU 17 far 0 39 0 - 9.6-11.2 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 15 assignments used, quality = 0.98: * HB3 GLU 23 + HG2 GLU 23 OK 95 100 100 95 2.2-2.3 2.9=74, 1.8/1024=34...(13) HB3 GLU 16 + HG3 GLU 16 OK 42 46 100 92 2.2-2.9 3.0=65, 1.8/1024=25...(13) HB3 GLU 95 + HG2 GLU 95 OK 23 86 30 88 2.3-3.0 2.9=72, 7540/7541=21...(8) HB2 PRO 86 - HG2 GLU 17 poor 6 31 20 - 2.8-4.1 HB3 GLU 16 - HG2 GLU 17 far 0 51 0 - 3.9-6.9 HG2 GLU 69 - HG3 GLU 62 far 0 39 0 - 7.0-10.2 HG2 GLU 69 - HG2 GLU 62 far 0 39 0 - 7.2-9.6 HB2 GLU 69 - HG3 GLU 62 far 0 39 0 - 7.6-10.0 HB2 GLU 69 - HG2 GLU 62 far 0 39 0 - 7.6-9.8 HB2 PRO 86 - HG3 GLU 16 far 0 28 0 - 7.6-8.8 HB3 GLU 16 - HG2 GLU 23 far 0 98 0 - 7.7-10.7 HG2 GLU 88 - HG2 GLU 17 far 0 51 0 - 8.6-12.6 HB3 GLU 69 - HG3 GLU 62 far 0 39 0 - 8.7-11.2 HB3 GLU 69 - HG2 GLU 62 far 0 39 0 - 8.8-10.9 HG2 GLU 88 - HG2 GLU 95 far 0 83 0 - 9.7-12.5 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 12 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 HB2 ASP 61 - HG3 GLU 62 far 0 47 0 - 4.0-7.2 HG3 GLU 98 - HG2 GLU 95 far 0 78 0 - 4.9-7.9 HB2 ASP 61 - HG2 GLU 62 far 0 47 0 - 5.1-7.0 HD2 ARG 91 - HG2 GLU 95 far 0 86 0 - 5.2-8.1 HG3 GLU 63 - HG2 GLU 62 far 0 41 0 - 5.3-7.0 HG3 GLU 63 - HG3 GLU 62 far 0 41 0 - 5.8-6.8 HB2 ASP 87 - HG2 GLU 17 far 0 53 0 - 6.3-9.3 HB3 ASP 87 - HG2 GLU 17 far 0 53 0 - 7.4-9.8 HB2 ASP 61 - HG2 GLU 63 far 0 48 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 1041 from cnoeabs.peaks (7.57, 2.27, 36.23 ppm; 4.94 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 24 + HG2 GLU 23 OK 100 100 100 100 4.2-4.6 6380=100, 1034/2.9=84...(7) H LEU 14 - HG2 GLU 17 far 4 44 10 - 5.1-7.2 H LEU 14 - HG3 GLU 16 far 0 40 0 - 5.3-6.6 HD22 ASN 10 - HG2 GLU 63 far 0 35 0 - 6.8-10.9 H GLU 88 - HG2 GLU 17 far 0 54 0 - 6.8-9.0 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 2.1-2.9 6368=90, 6366/2.9=63...(11) H LEU 27 - HG3 GLU 23 far 0 68 0 - 5.1-5.9 H LYS 94 - HG3 GLU 98 far 0 69 0 - 6.0-7.3 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 2.3-2.7 1017=80, 1016/1.8=65...(21) HB2 SER 59 - HG3 GLU 63 far 0 53 0 - 4.9-7.4 HA GLU 62 - HG3 GLU 63 far 0 42 0 - 5.7-6.1 HA GLU 99 - HG3 GLU 98 far 0 58 0 - 6.2-6.6 Violated in 0 structures by 0.00 A. Peak 1044 from cnoeabs.peaks (2.09, 2.49, 36.23 ppm; 3.02 A): 1 out of 10 assignments used, quality = 1.00: * HB2 GLU 23 + HG3 GLU 23 OK 100 100 100 100 2.7-2.9 2.9=100 HB3 GLU 62 - HG3 GLU 63 far 0 56 0 - 4.1-5.4 QE MET 21 - HG3 GLU 98 far 0 69 0 - 5.5-6.7 HB2 LEU 64 - HG3 GLU 63 far 0 41 0 - 6.5-6.9 QE MET 21 - HG3 GLU 23 far 0 98 0 - 6.8-7.5 HB2 MET 21 - HG3 GLU 23 far 0 65 0 - 7.0-8.0 HG3 GLU 28 - HG3 GLU 23 far 0 88 0 - 7.3-9.7 HB3 GLU 35 - HG3 GLU 63 far 0 56 0 - 7.3-8.9 HG2 GLU 28 - HG3 GLU 23 far 0 88 0 - 7.4-10.0 HB3 LEU 38 - HG3 GLU 63 far 0 52 0 - 8.5-10.1 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 2.7-3.0 2.9=100 HB3 GLU 95 - HG3 GLU 98 far 0 72 0 - 5.7-7.3 HB3 GLU 16 - HG3 GLU 23 far 0 98 0 - 8.9-12.0 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 5 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 95 - HG3 GLU 98 far 0 73 0 - 4.9-7.9 HG2 GLU 62 - HG3 GLU 63 far 0 55 0 - 5.3-7.0 HG3 GLU 62 - HG3 GLU 63 far 0 55 0 - 5.8-6.8 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 2 assignments used, quality = 1.00: * H LYS 24 + HG3 GLU 23 OK 100 100 100 100 4.3-4.8 6380/1.8=87, 1034/2.9=83...(6) HD22 ASN 10 - HG3 GLU 63 far 0 35 0 - 7.6-11.5 Violated in 0 structures by 0.00 A. Peak 1049 from cnoeabs.peaks (7.57, 4.10, 58.26 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 24 + HA LYS 24 OK 100 100 100 100 2.8-2.9 3.0=100 H ILE 76 - HA ARG 46 far 0 60 0 - 6.5-7.4 H GLU 44 - HA ARG 46 far 0 45 0 - 6.6-6.9 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 2.4-2.9 3.0=74, 2.9/1096=32...(28) * HB2 LYS 24 + HA LYS 24 OK 98 100 100 98 2.7-3.0 3.0=74, 1073/3.0=39...(25) HB3 ARG 46 + HA ARG 46 OK 60 64 100 94 2.7-3.0 3.0=76, 6750/3.0=25...(14) HB2 ARG 46 + HA ARG 46 OK 57 60 100 94 2.4-3.0 3.0=76, 2067/3.0=18...(14) HB3 LYS 47 - HA ARG 46 far 0 32 0 - 5.6-5.9 QE MET 74 - HA ARG 46 far 0 31 0 - 5.8-6.3 HB3 MET 74 - HA ARG 46 far 0 64 0 - 5.9-7.4 HB2 LYS 47 - HA ARG 46 far 0 63 0 - 6.5-6.6 HB3 LYS 20 - HA LYS 24 far 0 81 0 - 6.9-8.6 HB2 GLU 44 - HA ARG 46 far 0 32 0 - 7.5-7.9 HB2 LYS 73 - HA LYS 66 far 0 67 0 - 7.7-8.5 HB3 GLU 44 - HA ARG 46 far 0 32 0 - 8.2-8.7 QE MET 74 - HA LYS 66 far 0 33 0 - 8.3-9.5 HB3 LYS 73 - HA LYS 66 far 0 67 0 - 9.2-9.7 QE MET 1 - HA ARG 46 far 0 59 0 - 9.6-10.6 HB3 MET 74 - HA LYS 66 far 0 68 0 - 10.0-11.5 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 2.4-2.9 3.0=74, 2.9/1096=32...(28) HB2 LYS 24 + HA LYS 24 OK 98 100 100 98 2.7-3.0 3.0=74, 1073/3.0=39...(25) HB3 ARG 46 + HA ARG 46 OK 60 64 100 94 2.7-3.0 3.0=76, 6750/3.0=25...(14) HB2 ARG 46 + HA ARG 46 OK 57 60 100 94 2.4-3.0 3.0=76, 2067/3.0=18...(14) HB3 LYS 47 - HA ARG 46 far 0 32 0 - 5.6-5.9 QE MET 74 - HA ARG 46 far 0 31 0 - 5.8-6.3 HB3 MET 74 - HA ARG 46 far 0 64 0 - 5.9-7.4 HB2 LYS 47 - HA ARG 46 far 0 63 0 - 6.5-6.6 HB3 LYS 20 - HA LYS 24 far 0 81 0 - 6.9-8.6 HB2 GLU 44 - HA ARG 46 far 0 32 0 - 7.5-7.9 HB2 LYS 73 - HA LYS 66 far 0 67 0 - 7.7-8.5 HB3 GLU 44 - HA ARG 46 far 0 32 0 - 8.2-8.7 QE MET 74 - HA LYS 66 far 0 33 0 - 8.3-9.5 HB3 LYS 73 - HA LYS 66 far 0 67 0 - 9.2-9.7 QE MET 1 - HA ARG 46 far 0 59 0 - 9.6-10.6 HB3 MET 74 - HA LYS 66 far 0 68 0 - 10.0-11.5 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 8 assignments used, quality = 1.00: * HG2 LYS 24 + HA LYS 24 OK 100 100 100 100 2.2-3.7 3.7=99, 1.8/1096=77...(55) HD2 LYS 66 + HA LYS 66 OK 61 61 100 100 2.8-3.6 1.8/2942=64, 2931=43...(41) HG3 LYS 47 - HA ARG 46 far 0 35 0 - 5.1-6.4 HG LEU 27 - HA LYS 24 far 0 98 0 - 7.1-7.6 HG3 LYS 73 - HA LYS 66 far 0 64 0 - 7.5-8.7 HD2 LYS 94 - HA LYS 24 far 0 61 0 - 8.1-10.8 HD3 LYS 94 - HA LYS 24 far 0 98 0 - 9.6-12.4 HB3 LEU 29 - HA LYS 24 far 0 99 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 1054 from cnoeabs.peaks (1.51, 4.10, 58.26 ppm; 3.39 A): 2 out of 8 assignments used, quality = 1.00: * HG3 LYS 24 + HA LYS 24 OK 100 100 100 100 2.1-3.6 1096=90, 6386/3.0=40...(46) HG2 LYS 66 + HA LYS 66 OK 59 60 100 100 2.9-3.2 3.7=76, 7072/3.0=55...(24) HG3 LYS 66 - HA LYS 66 far 6 61 10 - 3.7-3.8 HG2 LYS 47 - HA ARG 46 far 0 56 0 - 5.0-6.8 HG2 LYS 73 - HA LYS 66 far 0 60 0 - 6.4-7.5 HG LEU 64 - HA LYS 66 far 0 47 0 - 7.2-7.5 HB3 LEU 64 - HA LYS 66 far 0 59 0 - 8.4-8.6 HG LEU 2 - HA ARG 46 far 0 63 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 1055 from cnoeabs.peaks (1.70, 4.10, 58.26 ppm; 3.39 A): 3 out of 13 assignments used, quality = 0.84: HD3 LYS 66 + HA LYS 66 OK 66 67 100 100 2.0-2.0 2942=73, 2943/3.0=50...(38) HG LEU 70 + HA LYS 66 OK 38 67 70 82 3.4-4.0 7152/7139=26...(15) * HD2 LYS 24 + HA LYS 24 OK 25 100 25 99 2.0-4.6 3.0/1096=51...(61) HD3 LYS 24 - HA LYS 24 far 5 100 5 - 3.6-5.0 HD2 LYS 47 - HA ARG 46 far 0 58 0 - 5.2-8.0 HB ILE 52 - HA ARG 46 far 0 48 0 - 5.7-6.3 HB3 LEU 70 - HA LYS 66 far 0 57 0 - 6.0-6.5 HD3 LYS 47 - HA ARG 46 far 0 59 0 - 6.2-7.9 HD2 LYS 73 - HA LYS 66 far 0 47 0 - 7.3-9.9 HD3 LYS 73 - HA LYS 66 far 0 45 0 - 7.4-10.5 HG3 LYS 20 - HA LYS 24 far 0 91 0 - 7.8-10.1 HB2 LEU 2 - HA ARG 46 far 0 63 0 - 8.4-9.1 HD3 LYS 20 - HA LYS 24 far 0 91 0 - 8.8-11.3 Violated in 0 structures by 0.00 A. Peak 1056 from cnoeabs.peaks (1.70, 4.10, 58.26 ppm; 3.39 A): 3 out of 13 assignments used, quality = 0.85: HD3 LYS 66 + HA LYS 66 OK 67 67 100 100 2.0-2.0 2942=73, 2943/3.0=50...(38) HG LEU 70 + HA LYS 66 OK 39 67 70 82 3.4-4.0 7152/7139=26...(15) HD2 LYS 24 + HA LYS 24 OK 25 100 25 99 2.0-4.6 3.0/1096=51...(61) ! HD3 LYS 24 - HA LYS 24 far 5 100 5 - 3.6-5.0 HD2 LYS 47 - HA ARG 46 far 0 57 0 - 5.2-8.0 HB ILE 52 - HA ARG 46 far 0 47 0 - 5.7-6.3 HB3 LEU 70 - HA LYS 66 far 0 58 0 - 6.0-6.5 HD3 LYS 47 - HA ARG 46 far 0 58 0 - 6.2-7.9 HD2 LYS 73 - HA LYS 66 far 0 46 0 - 7.3-9.9 HD3 LYS 73 - HA LYS 66 far 0 44 0 - 7.4-10.5 HG3 LYS 20 - HA LYS 24 far 0 90 0 - 7.8-10.1 HB2 LEU 2 - HA ARG 46 far 0 64 0 - 8.4-9.1 HD3 LYS 20 - HA LYS 24 far 0 90 0 - 8.8-11.3 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 = 0.98: * HE2 LYS 24 + HA LYS 24 OK 75 100 75 100 3.1-5.9 12306=87, 3.7/1096=76...(63) HE3 LYS 24 + HA LYS 24 OK 65 100 65 100 2.5-5.9 1.8/12306=95...(62) HB3 PHE 45 + HA ARG 46 OK 59 64 100 94 4.5-4.7 ~6743=49, ~6744=46...(14) HB2 PHE 45 + HA ARG 46 OK 51 53 100 97 4.1-4.4 6744/3.0=65...(14) HE3 LYS 47 - HA ARG 46 far 0 60 0 - 5.7-9.3 HE2 LYS 73 - HA LYS 66 far 0 64 0 - 6.0-10.6 HE3 LYS 73 - HA LYS 66 far 0 60 0 - 6.3-10.1 HE2 LYS 47 - HA ARG 46 far 0 60 0 - 6.8-9.5 HG2 MET 21 - HA LYS 24 far 0 90 0 - 8.4-9.0 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 = 0.98: HE2 LYS 24 + HA LYS 24 OK 75 100 75 100 3.1-5.9 12306=87, 3.7/1096=76...(63) * HE3 LYS 24 + HA LYS 24 OK 65 100 65 100 2.5-5.9 1.8/12306=95...(62) HB3 PHE 45 + HA ARG 46 OK 59 64 100 94 4.5-4.7 ~6743=49, ~6744=46...(14) HB2 PHE 45 + HA ARG 46 OK 51 53 100 97 4.1-4.4 6744/3.0=65...(14) HE3 LYS 47 - HA ARG 46 far 0 60 0 - 5.7-9.3 HE2 LYS 73 - HA LYS 66 far 0 64 0 - 6.0-10.6 HE3 LYS 73 - HA LYS 66 far 0 60 0 - 6.3-10.1 HE2 LYS 47 - HA ARG 46 far 0 60 0 - 6.8-9.5 HG2 MET 21 - HA LYS 24 far 0 90 0 - 8.4-9.0 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 3.4-3.5 3.6=100 H SER 49 + HA ARG 46 OK 40 58 100 69 3.3-4.1 6795/10188=27...(7) H LEU 64 - HA LYS 66 far 0 66 0 - 6.8-6.9 H MET 21 - HA LYS 24 far 0 84 0 - 7.1-7.7 H MET 74 - HA ARG 46 far 0 35 0 - 8.2-9.4 H MET 74 - HA LYS 66 far 0 37 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 1060 from cnoeabs.peaks (4.41, 1.96, 32.08 ppm; 3.30 A): 1 out of 12 assignments used, quality = 0.95: * HA MET 21 + HB2 LYS 24 OK 95 100 100 95 2.2-2.9 958=83, 6373/1073=43...(6) HA MET 21 - HB3 LYS 24 far 10 100 10 - 3.4-4.5 HA MET 21 - HB3 LYS 20 far 0 58 0 - 3.9-4.5 HA ALA 25 - HB3 LYS 24 far 0 100 0 - 4.0-5.7 HA MET 74 - HB2 LYS 73 far 0 89 0 - 4.3-5.7 HA MET 74 - HB3 LYS 73 far 0 88 0 - 4.4-5.0 HA ALA 25 - HB2 LYS 24 far 0 100 0 - 4.5-5.4 HA GLU 48 - HB2 LYS 47 far 0 61 0 - 4.6-4.9 HA ILE 76 - HB2 LYS 73 far 0 82 0 - 9.2-10.3 HA GLN 50 - HB2 LYS 47 far 0 65 0 - 9.4-10.6 HA ALA 25 - HB3 LYS 20 far 0 58 0 - 9.8-11.1 HA ILE 76 - HB3 LYS 73 far 0 82 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 1061 from cnoeabs.peaks (7.57, 1.96, 32.08 ppm; 3.00 A): 1 out of 6 assignments used, quality = 0.99: * H LYS 24 + HB2 LYS 24 OK 99 100 100 99 2.1-2.5 6384=82, 6373/1060=32...(25) H LYS 24 - HB3 LYS 24 far 15 100 15 - 2.9-3.6 H LYS 24 - HB3 LYS 20 far 0 58 0 - 5.3-6.4 H ILE 76 - HB2 LYS 73 far 0 86 0 - 6.5-7.5 H ILE 76 - HB3 LYS 73 far 0 85 0 - 7.4-7.8 H GLU 44 - HB2 LYS 47 far 0 49 0 - 7.5-7.7 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 2.4-2.9 3.0=87, 1096/2.9=36...(30) * HA LYS 24 + HB2 LYS 24 OK 99 100 100 99 2.7-3.0 3.0=87, 3.0/1073=44...(27) HA ARG 46 - HB2 LYS 47 far 0 50 0 - 6.5-6.6 HA LYS 24 - HB3 LYS 20 far 0 58 0 - 6.9-8.6 HA LYS 66 - HB2 LYS 73 far 0 75 0 - 7.7-8.5 HA PRO 86 - HB3 LYS 20 far 0 55 0 - 8.9-11.7 HA LYS 66 - HB3 LYS 73 far 0 75 0 - 9.2-9.7 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 22 assignments used, quality = 1.00: HG2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.3-3.0 2.9=100 * HG2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 73 + HB2 LYS 73 OK 87 87 100 100 2.7-3.0 2.9=100 HG3 LYS 73 + HB3 LYS 73 OK 86 86 100 100 2.7-2.9 2.9=100 HG3 LYS 47 + HB2 LYS 47 OK 38 38 100 100 2.4-3.0 3.0=97, 6773/4.0=18...(79) HG3 LYS 90 - HB3 LYS 20 far 0 58 0 - 4.5-6.9 HG2 LYS 24 - HB3 LYS 20 far 0 58 0 - 4.5-9.3 HD2 LYS 94 - HB2 LYS 24 far 0 61 0 - 6.0-8.7 HD2 LYS 94 - HB3 LYS 24 far 0 61 0 - 6.1-8.5 HG2 ARG 19 - HB3 LYS 20 far 0 58 0 - 6.2-8.0 HG3 LYS 90 - HB2 LYS 24 far 0 100 0 - 7.1-7.8 HG LEU 27 - HB2 LYS 24 far 0 98 0 - 7.1-8.0 HG LEU 27 - HB3 LYS 24 far 0 98 0 - 7.2-8.5 HD3 LYS 94 - HB3 LYS 24 far 0 98 0 - 7.3-10.1 HD3 LYS 94 - HB2 LYS 24 far 0 98 0 - 7.4-10.5 HG3 LYS 90 - HB3 LYS 24 far 0 100 0 - 8.1-9.1 HD2 LYS 66 - HB2 LYS 73 far 0 84 0 - 8.5-10.9 HB3 LEU 29 - HB3 LYS 20 far 0 55 0 - 8.5-9.3 HB3 LEU 29 - HB2 LYS 24 far 0 99 0 - 9.1-9.5 HD2 LYS 66 - HB3 LYS 73 far 0 84 0 - 9.4-11.8 HD2 LYS 94 - HB3 LYS 20 far 0 29 0 - 9.8-11.5 HB3 LEU 29 - HB3 LYS 24 far 0 99 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 1066 from cnoeabs.peaks (1.51, 1.96, 32.08 ppm; 3.00 A): 5 out of 8 assignments used, quality = 1.00: * HG3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.5-3.0 2.9=100 HG2 LYS 73 + HB2 LYS 73 OK 83 83 100 100 2.2-2.3 2.9=100 HG2 LYS 73 + HB3 LYS 73 OK 83 83 100 100 2.7-3.0 2.9=100 HG2 LYS 47 + HB2 LYS 47 OK 61 61 100 100 2.4-3.0 3.0=100 HG3 LYS 24 - HB3 LYS 20 far 0 58 0 - 5.3-8.7 HG LEU 2 - HB2 LYS 47 far 0 68 0 - 9.6-10.7 HB ILE 7 - HB3 LYS 20 far 0 53 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 1067 from cnoeabs.peaks (1.70, 1.96, 32.08 ppm; 2.87 A): 10 out of 35 assignments used, quality = 1.00: * HD2 LYS 24 + HB2 LYS 24 OK 83 100 85 98 2.1-3.7 3.6=53, 11063/1060=15...(96) HD2 LYS 24 + HB3 LYS 24 OK 64 100 65 98 2.3-3.9 3.6=53, 1120/1.8=13...(95) HD3 LYS 24 + HB3 LYS 24 OK 59 100 60 98 2.2-4.1 3.6=53, 1118/3.0=11...(97) HD3 LYS 24 + HB2 LYS 24 OK 54 100 55 98 2.1-4.2 3.6=53, 1.8/1119=13...(96) HD3 LYS 73 + HB3 LYS 73 OK 47 64 75 98 2.0-3.6 3.6=51, 3298/2.9=13...(114) HG3 LYS 20 + HB3 LYS 20 OK 46 47 100 98 2.2-2.7 3.0=92, 893/4.0=20...(34) HD3 LYS 47 + HB2 LYS 47 OK 31 64 50 98 2.7-3.7 3.9=38, 2194/3.0=9...(110) HD3 LYS 20 + HB3 LYS 20 OK 30 47 70 90 2.0-3.9 3.5=54, ~848=12, ~883=12...(44) HD2 LYS 73 + HB3 LYS 73 OK 30 67 45 98 2.1-3.5 3.6=51, 3298/2.9=13...(110) HD2 LYS 47 + HB2 LYS 47 OK 28 63 45 99 2.2-3.8 3.9=38, 2195/3.0=14...(118) HD3 LYS 73 - HB2 LYS 73 poor 16 64 25 - 2.9-4.0 HD2 LYS 20 - HB3 LYS 20 poor 15 50 30 - 2.4-4.2 HD2 LYS 73 - HB2 LYS 73 far 10 68 15 - 3.0-4.2 HD3 LYS 24 - HB3 LYS 20 far 0 58 0 - 3.5-9.0 HD2 LYS 24 - HB3 LYS 20 far 0 58 0 - 4.4-7.6 HB3 LEU 70 - HB2 LYS 73 far 0 79 0 - 4.4-6.5 HG LEU 70 - HB2 LYS 73 far 0 91 0 - 5.2-6.4 HG3 LYS 20 - HB2 LYS 24 far 0 91 0 - 5.4-8.4 HB3 LEU 70 - HB3 LYS 73 far 0 78 0 - 6.0-7.3 HD3 LYS 90 - HB3 LYS 20 far 0 58 0 - 6.2-8.9 HG LEU 70 - HB3 LYS 73 far 0 90 0 - 6.5-7.6 HG3 LYS 20 - HB3 LYS 24 far 0 91 0 - 6.7-10.1 HD3 LYS 20 - HB2 LYS 24 far 0 91 0 - 7.3-9.9 HB ILE 52 - HB2 LYS 47 far 0 53 0 - 7.6-8.0 HD2 LYS 20 - HB2 LYS 24 far 0 94 0 - 8.1-9.8 HD3 LYS 66 - HB2 LYS 73 far 0 90 0 - 8.3-9.6 HB ILE 15 - HB3 LYS 20 far 0 33 0 - 8.9-11.0 HD3 LYS 20 - HB3 LYS 24 far 0 91 0 - 9.0-11.2 HD2 LYS 20 - HB3 LYS 24 far 0 94 0 - 9.1-11.3 HD3 LYS 13 - HB3 LYS 20 far 0 56 0 - 9.1-12.9 HD2 LYS 13 - HB3 LYS 20 far 0 57 0 - 9.2-14.4 HD3 LYS 66 - HB3 LYS 73 far 0 89 0 - 9.3-10.6 HB2 LEU 2 - HB2 LYS 47 far 0 69 0 - 9.4-10.4 HD3 LYS 90 - HB2 LYS 24 far 0 100 0 - 9.4-10.6 HG2 PRO 86 - HB3 LYS 20 far 0 57 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 1068 from cnoeabs.peaks (1.70, 1.96, 32.08 ppm; 2.87 A): 10 out of 35 assignments used, quality = 1.00: HD2 LYS 24 + HB2 LYS 24 OK 83 100 85 98 2.1-3.7 3.6=53, 11063/1060=15...(96) HD2 LYS 24 + HB3 LYS 24 OK 64 100 65 98 2.3-3.9 3.6=53, 1120/1.8=13...(95) HD3 LYS 24 + HB3 LYS 24 OK 59 100 60 98 2.2-4.1 3.6=53, 1118/3.0=11...(97) * HD3 LYS 24 + HB2 LYS 24 OK 54 100 55 98 2.1-4.2 3.6=53, 1.8/1119=13...(96) HD3 LYS 73 + HB3 LYS 73 OK 46 62 75 98 2.0-3.6 3.6=51, 3298/2.9=13...(114) HG3 LYS 20 + HB3 LYS 20 OK 45 46 100 98 2.2-2.7 3.0=92, ~848=20...(34) HD3 LYS 47 + HB2 LYS 47 OK 31 63 50 98 2.7-3.7 3.9=38, 6775/4.0=9...(109) HD3 LYS 20 + HB3 LYS 20 OK 29 46 70 90 2.0-3.9 3.5=54, ~848=12, ~883=12...(44) HD2 LYS 73 + HB3 LYS 73 OK 29 65 45 98 2.1-3.5 3.6=51, 3298/2.9=12...(110) HD2 LYS 47 + HB2 LYS 47 OK 28 62 45 99 2.2-3.8 3.9=38, 2195/3.0=14...(118) HD3 LYS 73 - HB2 LYS 73 poor 16 63 25 - 2.9-4.0 HD2 LYS 20 - HB3 LYS 20 poor 15 49 30 - 2.4-4.2 HD2 LYS 73 - HB2 LYS 73 far 10 66 15 - 3.0-4.2 HD3 LYS 24 - HB3 LYS 20 far 0 58 0 - 3.5-9.0 HD2 LYS 24 - HB3 LYS 20 far 0 58 0 - 4.4-7.6 HB3 LEU 70 - HB2 LYS 73 far 0 80 0 - 4.4-6.5 HG LEU 70 - HB2 LYS 73 far 0 91 0 - 5.2-6.4 HG3 LYS 20 - HB2 LYS 24 far 0 90 0 - 5.4-8.4 HB3 LEU 70 - HB3 LYS 73 far 0 80 0 - 6.0-7.3 HD3 LYS 90 - HB3 LYS 20 far 0 58 0 - 6.2-8.9 HG LEU 70 - HB3 LYS 73 far 0 90 0 - 6.5-7.6 HG3 LYS 20 - HB3 LYS 24 far 0 90 0 - 6.7-10.1 HD3 LYS 20 - HB2 LYS 24 far 0 90 0 - 7.3-9.9 HB ILE 52 - HB2 LYS 47 far 0 52 0 - 7.6-8.0 HD2 LYS 20 - HB2 LYS 24 far 0 93 0 - 8.1-9.8 HD3 LYS 66 - HB2 LYS 73 far 0 90 0 - 8.3-9.6 HB ILE 15 - HB3 LYS 20 far 0 34 0 - 8.9-11.0 HD3 LYS 20 - HB3 LYS 24 far 0 90 0 - 9.0-11.2 HD2 LYS 20 - HB3 LYS 24 far 0 93 0 - 9.1-11.3 HD3 LYS 13 - HB3 LYS 20 far 0 57 0 - 9.1-12.9 HD2 LYS 13 - HB3 LYS 20 far 0 57 0 - 9.2-14.4 HD3 LYS 66 - HB3 LYS 73 far 0 90 0 - 9.3-10.6 HB2 LEU 2 - HB2 LYS 47 far 0 69 0 - 9.4-10.4 HD3 LYS 90 - HB2 LYS 24 far 0 100 0 - 9.4-10.6 HG2 PRO 86 - HB3 LYS 20 far 0 57 0 - 9.8-12.5 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 23 assignments used, quality = 1.00: HE2 LYS 73 + HB3 LYS 73 OK 78 87 90 100 2.5-4.3 4.9=49, 3235/3.0=14...(105) HE3 LYS 73 + HB3 LYS 73 OK 66 83 80 100 2.4-4.5 4.9=49, 1.8/3306=14...(111) HE3 LYS 47 + HB2 LYS 47 OK 62 65 95 100 2.0-4.7 4.9=49, 2204/1.8=23...(112) HE2 LYS 47 + HB2 LYS 47 OK 56 65 85 100 2.0-4.6 4.9=49, 2204/1.8=20...(124) HE3 LYS 73 + HB2 LYS 73 OK 46 83 55 100 2.7-5.1 4.9=49, 7.0/7205=16...(126) HE2 LYS 73 + HB2 LYS 73 OK 39 87 45 100 2.3-5.3 4.9=49, 7.0/7205=16...(125) * HE2 LYS 24 + HB2 LYS 24 OK 35 100 35 100 3.1-5.1 12306/3.0=51, 4.9=47...(104) HE3 LYS 24 + HB2 LYS 24 OK 30 100 30 100 2.4-5.0 4.9=47, ~12306=36...(103) HE3 LYS 24 + HB3 LYS 24 OK 25 100 25 100 2.2-5.5 4.9=47, ~12306=36...(101) HE2 LYS 24 + HB3 LYS 24 OK 25 100 25 100 2.6-4.8 12306/3.0=51, 4.9=47...(100) HE2 LYS 24 - HB3 LYS 20 far 0 58 0 - 4.4-9.6 HE3 LYS 24 - HB3 LYS 20 far 0 58 0 - 4.6-9.9 HG2 MET 21 - HB3 LYS 20 far 0 46 0 - 5.0-6.8 HE3 LYS 90 - HB3 LYS 20 far 0 42 0 - 5.2-7.6 HG2 MET 21 - HB2 LYS 24 far 0 90 0 - 5.5-6.1 HG2 MET 21 - HB3 LYS 24 far 0 90 0 - 6.0-7.4 HB3 PHE 45 - HB2 LYS 47 far 0 69 0 - 8.0-8.6 HB2 PHE 45 - HB2 LYS 47 far 0 57 0 - 8.1-8.6 HE3 LYS 90 - HB2 LYS 24 far 0 84 0 - 8.4-9.8 HE3 LYS 90 - HB3 LYS 24 far 0 84 0 - 9.3-10.9 HE2 LYS 13 - HB3 LYS 20 far 0 58 0 - 9.4-14.2 HE3 LYS 13 - HB3 LYS 20 far 0 57 0 - 9.6-14.5 HE3 LYS 12 - HB3 LYS 20 far 0 57 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 1070 from cnoeabs.peaks (2.96, 1.96, 32.08 ppm; 3.84 A): 10 out of 23 assignments used, quality = 1.00: HE2 LYS 73 + HB3 LYS 73 OK 78 87 90 100 2.5-4.3 4.9=49, 3235/3.0=14...(105) HE3 LYS 73 + HB3 LYS 73 OK 66 83 80 100 2.4-4.5 4.9=49, 1.8/3306=14...(111) HE3 LYS 47 + HB2 LYS 47 OK 62 65 95 100 2.0-4.7 4.9=49, 2204/1.8=23...(112) HE2 LYS 47 + HB2 LYS 47 OK 56 65 85 100 2.0-4.6 4.9=49, 2204/1.8=20...(124) HE3 LYS 73 + HB2 LYS 73 OK 46 83 55 100 2.7-5.1 4.9=49, 7.0/7205=16...(126) HE2 LYS 73 + HB2 LYS 73 OK 39 87 45 100 2.3-5.3 4.9=49, 7.0/7205=16...(125) HE2 LYS 24 + HB2 LYS 24 OK 35 100 35 100 3.1-5.1 12306/3.0=51, 4.9=47...(104) * HE3 LYS 24 + HB2 LYS 24 OK 30 100 30 100 2.4-5.0 4.9=47, ~12306=36...(103) HE3 LYS 24 + HB3 LYS 24 OK 25 100 25 100 2.2-5.5 4.9=47, ~12306=36...(101) HE2 LYS 24 + HB3 LYS 24 OK 25 100 25 100 2.6-4.8 12306/3.0=51, 4.9=47...(100) HE2 LYS 24 - HB3 LYS 20 far 0 58 0 - 4.4-9.6 HE3 LYS 24 - HB3 LYS 20 far 0 58 0 - 4.6-9.9 HG2 MET 21 - HB3 LYS 20 far 0 46 0 - 5.0-6.8 HE3 LYS 90 - HB3 LYS 20 far 0 42 0 - 5.2-7.6 HG2 MET 21 - HB2 LYS 24 far 0 90 0 - 5.5-6.1 HG2 MET 21 - HB3 LYS 24 far 0 90 0 - 6.0-7.4 HB3 PHE 45 - HB2 LYS 47 far 0 69 0 - 8.0-8.6 HB2 PHE 45 - HB2 LYS 47 far 0 57 0 - 8.1-8.6 HE3 LYS 90 - HB2 LYS 24 far 0 84 0 - 8.4-9.8 HE3 LYS 90 - HB3 LYS 24 far 0 84 0 - 9.3-10.9 HE2 LYS 13 - HB3 LYS 20 far 0 58 0 - 9.4-14.2 HE3 LYS 13 - HB3 LYS 20 far 0 57 0 - 9.6-14.5 HE3 LYS 12 - HB3 LYS 20 far 0 57 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 1071 from cnoeabs.peaks (7.71, 1.96, 32.08 ppm; 3.22 A): 3 out of 9 assignments used, quality = 0.94: * H ALA 25 + HB2 LYS 24 OK 88 100 90 97 2.8-3.5 6400=67, 6397/1061=51...(15) H MET 21 + HB3 LYS 20 OK 34 42 95 85 2.2-3.5 6325=46, 6324/1.8=40...(9) H MET 74 + HB2 LYS 73 OK 29 54 65 83 2.7-4.1 7213/7205=35, 4.6=34...(12) H ALA 25 - HB3 LYS 24 far 15 100 15 - 3.0-4.2 H MET 74 - HB3 LYS 73 far 0 53 0 - 3.7-4.3 H MET 21 - HB2 LYS 24 far 0 84 0 - 4.5-5.4 H SER 49 - HB2 LYS 47 far 0 63 0 - 5.1-6.6 H MET 21 - HB3 LYS 24 far 0 84 0 - 6.1-7.1 H ALA 25 - HB3 LYS 20 far 0 58 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. Peak 1072 from cnoeabs.peaks (4.41, 1.96, 32.08 ppm; 3.30 A): 1 out of 12 assignments used, quality = 0.95: HA MET 21 + HB2 LYS 24 OK 95 100 100 95 2.2-2.9 958=83, 6373/1073=43...(6) ! HA MET 21 - HB3 LYS 24 far 10 100 10 - 3.4-4.5 HA MET 21 - HB3 LYS 20 far 0 58 0 - 3.9-4.5 HA ALA 25 - HB3 LYS 24 far 0 100 0 - 4.0-5.7 HA MET 74 - HB2 LYS 73 far 0 89 0 - 4.3-5.7 HA MET 74 - HB3 LYS 73 far 0 88 0 - 4.4-5.0 HA ALA 25 - HB2 LYS 24 far 0 100 0 - 4.5-5.4 HA GLU 48 - HB2 LYS 47 far 0 61 0 - 4.6-4.9 HA ILE 76 - HB2 LYS 73 far 0 82 0 - 9.2-10.3 HA GLN 50 - HB2 LYS 47 far 0 65 0 - 9.4-10.6 HA ALA 25 - HB3 LYS 20 far 0 58 0 - 9.8-11.1 HA ILE 76 - HB3 LYS 73 far 0 82 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 1073 from cnoeabs.peaks (7.57, 1.96, 32.08 ppm; 3.00 A): 1 out of 6 assignments used, quality = 0.99: H LYS 24 + HB2 LYS 24 OK 99 100 100 99 2.1-2.5 6384=82, 6373/1060=32...(25) ! H LYS 24 - HB3 LYS 24 far 15 100 15 - 2.9-3.6 H LYS 24 - HB3 LYS 20 far 0 58 0 - 5.3-6.4 H ILE 76 - HB2 LYS 73 far 0 86 0 - 6.5-7.5 H ILE 76 - HB3 LYS 73 far 0 85 0 - 7.4-7.8 H GLU 44 - HB2 LYS 47 far 0 49 0 - 7.5-7.7 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 2.4-2.9 3.0=87, 1096/2.9=36...(30) HA LYS 24 + HB2 LYS 24 OK 99 100 100 99 2.7-3.0 3.0=87, 3.0/1073=44...(27) HA ARG 46 - HB2 LYS 47 far 0 50 0 - 6.5-6.6 HA LYS 24 - HB3 LYS 20 far 0 58 0 - 6.9-8.6 HA LYS 66 - HB2 LYS 73 far 0 75 0 - 7.7-8.5 HA PRO 86 - HB3 LYS 20 far 0 55 0 - 8.9-11.7 HA LYS 66 - HB3 LYS 73 far 0 75 0 - 9.2-9.7 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 22 assignments used, quality = 1.00: * HG2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 73 + HB2 LYS 73 OK 87 87 100 100 2.7-3.0 2.9=100 HG3 LYS 73 + HB3 LYS 73 OK 86 86 100 100 2.7-2.9 2.9=100 HG3 LYS 47 + HB2 LYS 47 OK 38 38 100 100 2.4-3.0 3.0=97, 6773/4.0=18...(79) HG3 LYS 90 - HB3 LYS 20 far 0 58 0 - 4.5-6.9 HG2 LYS 24 - HB3 LYS 20 far 0 58 0 - 4.5-9.3 HD2 LYS 94 - HB2 LYS 24 far 0 61 0 - 6.0-8.7 HD2 LYS 94 - HB3 LYS 24 far 0 61 0 - 6.1-8.5 HG2 ARG 19 - HB3 LYS 20 far 0 58 0 - 6.2-8.0 HG3 LYS 90 - HB2 LYS 24 far 0 100 0 - 7.1-7.8 HG LEU 27 - HB2 LYS 24 far 0 98 0 - 7.1-8.0 HG LEU 27 - HB3 LYS 24 far 0 98 0 - 7.2-8.5 HD3 LYS 94 - HB3 LYS 24 far 0 98 0 - 7.3-10.1 HD3 LYS 94 - HB2 LYS 24 far 0 98 0 - 7.4-10.5 HG3 LYS 90 - HB3 LYS 24 far 0 100 0 - 8.1-9.1 HD2 LYS 66 - HB2 LYS 73 far 0 84 0 - 8.5-10.9 HB3 LEU 29 - HB3 LYS 20 far 0 55 0 - 8.5-9.3 HB3 LEU 29 - HB2 LYS 24 far 0 99 0 - 9.1-9.5 HD2 LYS 66 - HB3 LYS 73 far 0 84 0 - 9.4-11.8 HD2 LYS 94 - HB3 LYS 20 far 0 29 0 - 9.8-11.5 HB3 LEU 29 - HB3 LYS 24 far 0 99 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 1078 from cnoeabs.peaks (1.51, 1.96, 32.08 ppm; 3.00 A): 5 out of 8 assignments used, quality = 1.00: HG3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 * HG3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.5-3.0 2.9=100 HG2 LYS 73 + HB2 LYS 73 OK 83 83 100 100 2.2-2.3 2.9=100 HG2 LYS 73 + HB3 LYS 73 OK 83 83 100 100 2.7-3.0 2.9=100 HG2 LYS 47 + HB2 LYS 47 OK 61 61 100 100 2.4-3.0 3.0=100 HG3 LYS 24 - HB3 LYS 20 far 0 58 0 - 5.3-8.7 HG LEU 2 - HB2 LYS 47 far 0 68 0 - 9.6-10.7 HB ILE 7 - HB3 LYS 20 far 0 53 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 1079 from cnoeabs.peaks (1.70, 1.96, 32.08 ppm; 2.87 A): 10 out of 35 assignments used, quality = 1.00: HD2 LYS 24 + HB2 LYS 24 OK 83 100 85 98 2.1-3.7 3.6=53, 11063/1060=15...(96) * HD2 LYS 24 + HB3 LYS 24 OK 64 100 65 98 2.3-3.9 3.6=53, 1120/1.8=13...(95) HD3 LYS 24 + HB3 LYS 24 OK 59 100 60 98 2.2-4.1 3.6=53, 1118/3.0=11...(97) HD3 LYS 24 + HB2 LYS 24 OK 54 100 55 98 2.1-4.2 3.6=53, 1.8/1119=13...(96) HD3 LYS 73 + HB3 LYS 73 OK 47 64 75 98 2.0-3.6 3.6=51, 3298/2.9=13...(114) HG3 LYS 20 + HB3 LYS 20 OK 46 47 100 98 2.2-2.7 3.0=92, 893/4.0=20...(34) HD3 LYS 47 + HB2 LYS 47 OK 31 64 50 98 2.7-3.7 3.9=38, 2194/3.0=9...(110) HD3 LYS 20 + HB3 LYS 20 OK 30 47 70 90 2.0-3.9 3.5=54, ~848=12, ~883=12...(44) HD2 LYS 73 + HB3 LYS 73 OK 30 67 45 98 2.1-3.5 3.6=51, 3298/2.9=13...(110) HD2 LYS 47 + HB2 LYS 47 OK 28 63 45 99 2.2-3.8 3.9=38, 2195/3.0=14...(118) HD3 LYS 73 - HB2 LYS 73 poor 16 64 25 - 2.9-4.0 HD2 LYS 20 - HB3 LYS 20 poor 15 50 30 - 2.4-4.2 HD2 LYS 73 - HB2 LYS 73 far 10 68 15 - 3.0-4.2 HD3 LYS 24 - HB3 LYS 20 far 0 58 0 - 3.5-9.0 HD2 LYS 24 - HB3 LYS 20 far 0 58 0 - 4.4-7.6 HB3 LEU 70 - HB2 LYS 73 far 0 79 0 - 4.4-6.5 HG LEU 70 - HB2 LYS 73 far 0 91 0 - 5.2-6.4 HG3 LYS 20 - HB2 LYS 24 far 0 91 0 - 5.4-8.4 HB3 LEU 70 - HB3 LYS 73 far 0 78 0 - 6.0-7.3 HD3 LYS 90 - HB3 LYS 20 far 0 58 0 - 6.2-8.9 HG LEU 70 - HB3 LYS 73 far 0 90 0 - 6.5-7.6 HG3 LYS 20 - HB3 LYS 24 far 0 91 0 - 6.7-10.1 HD3 LYS 20 - HB2 LYS 24 far 0 91 0 - 7.3-9.9 HB ILE 52 - HB2 LYS 47 far 0 53 0 - 7.6-8.0 HD2 LYS 20 - HB2 LYS 24 far 0 94 0 - 8.1-9.8 HD3 LYS 66 - HB2 LYS 73 far 0 90 0 - 8.3-9.6 HB ILE 15 - HB3 LYS 20 far 0 33 0 - 8.9-11.0 HD3 LYS 20 - HB3 LYS 24 far 0 91 0 - 9.0-11.2 HD2 LYS 20 - HB3 LYS 24 far 0 94 0 - 9.1-11.3 HD3 LYS 13 - HB3 LYS 20 far 0 56 0 - 9.1-12.9 HD2 LYS 13 - HB3 LYS 20 far 0 57 0 - 9.2-14.4 HD3 LYS 66 - HB3 LYS 73 far 0 89 0 - 9.3-10.6 HB2 LEU 2 - HB2 LYS 47 far 0 69 0 - 9.4-10.4 HD3 LYS 90 - HB2 LYS 24 far 0 100 0 - 9.4-10.6 HG2 PRO 86 - HB3 LYS 20 far 0 57 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 1080 from cnoeabs.peaks (1.70, 1.96, 32.08 ppm; 2.87 A): 10 out of 35 assignments used, quality = 1.00: HD2 LYS 24 + HB2 LYS 24 OK 83 100 85 98 2.1-3.7 3.6=53, 11063/1060=15...(96) HD2 LYS 24 + HB3 LYS 24 OK 64 100 65 98 2.3-3.9 3.6=53, 1120/1.8=13...(95) * HD3 LYS 24 + HB3 LYS 24 OK 59 100 60 98 2.2-4.1 3.6=53, 1118/3.0=11...(97) HD3 LYS 24 + HB2 LYS 24 OK 54 100 55 98 2.1-4.2 3.6=53, 1.8/1119=13...(96) HD3 LYS 73 + HB3 LYS 73 OK 46 62 75 98 2.0-3.6 3.6=51, 3298/2.9=13...(114) HG3 LYS 20 + HB3 LYS 20 OK 45 46 100 98 2.2-2.7 3.0=92, ~848=20...(34) HD3 LYS 47 + HB2 LYS 47 OK 31 63 50 98 2.7-3.7 3.9=38, 6775/4.0=9...(109) HD3 LYS 20 + HB3 LYS 20 OK 29 46 70 90 2.0-3.9 3.5=54, ~848=12, ~883=12...(44) HD2 LYS 73 + HB3 LYS 73 OK 29 65 45 98 2.1-3.5 3.6=51, 3298/2.9=12...(110) HD2 LYS 47 + HB2 LYS 47 OK 28 62 45 99 2.2-3.8 3.9=38, 2195/3.0=14...(118) HD3 LYS 73 - HB2 LYS 73 poor 16 63 25 - 2.9-4.0 HD2 LYS 20 - HB3 LYS 20 poor 15 49 30 - 2.4-4.2 HD2 LYS 73 - HB2 LYS 73 far 10 66 15 - 3.0-4.2 HD3 LYS 24 - HB3 LYS 20 far 0 58 0 - 3.5-9.0 HD2 LYS 24 - HB3 LYS 20 far 0 58 0 - 4.4-7.6 HB3 LEU 70 - HB2 LYS 73 far 0 80 0 - 4.4-6.5 HG LEU 70 - HB2 LYS 73 far 0 91 0 - 5.2-6.4 HG3 LYS 20 - HB2 LYS 24 far 0 90 0 - 5.4-8.4 HB3 LEU 70 - HB3 LYS 73 far 0 80 0 - 6.0-7.3 HD3 LYS 90 - HB3 LYS 20 far 0 58 0 - 6.2-8.9 HG LEU 70 - HB3 LYS 73 far 0 90 0 - 6.5-7.6 HG3 LYS 20 - HB3 LYS 24 far 0 90 0 - 6.7-10.1 HD3 LYS 20 - HB2 LYS 24 far 0 90 0 - 7.3-9.9 HB ILE 52 - HB2 LYS 47 far 0 52 0 - 7.6-8.0 HD2 LYS 20 - HB2 LYS 24 far 0 93 0 - 8.1-9.8 HD3 LYS 66 - HB2 LYS 73 far 0 90 0 - 8.3-9.6 HB ILE 15 - HB3 LYS 20 far 0 34 0 - 8.9-11.0 HD3 LYS 20 - HB3 LYS 24 far 0 90 0 - 9.0-11.2 HD2 LYS 20 - HB3 LYS 24 far 0 93 0 - 9.1-11.3 HD3 LYS 13 - HB3 LYS 20 far 0 57 0 - 9.1-12.9 HD2 LYS 13 - HB3 LYS 20 far 0 57 0 - 9.2-14.4 HD3 LYS 66 - HB3 LYS 73 far 0 90 0 - 9.3-10.6 HB2 LEU 2 - HB2 LYS 47 far 0 69 0 - 9.4-10.4 HD3 LYS 90 - HB2 LYS 24 far 0 100 0 - 9.4-10.6 HG2 PRO 86 - HB3 LYS 20 far 0 57 0 - 9.8-12.5 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 23 assignments used, quality = 1.00: HE2 LYS 73 + HB3 LYS 73 OK 78 87 90 100 2.5-4.3 4.9=49, 3235/3.0=14...(105) HE3 LYS 73 + HB3 LYS 73 OK 66 83 80 100 2.4-4.5 4.9=49, 1.8/3306=14...(111) HE3 LYS 47 + HB2 LYS 47 OK 62 65 95 100 2.0-4.7 4.9=49, 2204/1.8=23...(112) HE2 LYS 47 + HB2 LYS 47 OK 56 65 85 100 2.0-4.6 4.9=49, 2204/1.8=20...(124) HE3 LYS 73 + HB2 LYS 73 OK 46 83 55 100 2.7-5.1 4.9=49, 7.0/7205=16...(126) HE2 LYS 73 + HB2 LYS 73 OK 39 87 45 100 2.3-5.3 4.9=49, 7.0/7205=16...(125) HE2 LYS 24 + HB2 LYS 24 OK 35 100 35 100 3.1-5.1 12306/3.0=51, 4.9=47...(104) HE3 LYS 24 + HB2 LYS 24 OK 30 100 30 100 2.4-5.0 4.9=47, ~12306=36...(103) HE3 LYS 24 + HB3 LYS 24 OK 25 100 25 100 2.2-5.5 4.9=47, ~12306=36...(101) * HE2 LYS 24 + HB3 LYS 24 OK 25 100 25 100 2.6-4.8 12306/3.0=51, 4.9=47...(100) HE2 LYS 24 - HB3 LYS 20 far 0 58 0 - 4.4-9.6 HE3 LYS 24 - HB3 LYS 20 far 0 58 0 - 4.6-9.9 HG2 MET 21 - HB3 LYS 20 far 0 46 0 - 5.0-6.8 HE3 LYS 90 - HB3 LYS 20 far 0 42 0 - 5.2-7.6 HG2 MET 21 - HB2 LYS 24 far 0 90 0 - 5.5-6.1 HG2 MET 21 - HB3 LYS 24 far 0 90 0 - 6.0-7.4 HB3 PHE 45 - HB2 LYS 47 far 0 69 0 - 8.0-8.6 HB2 PHE 45 - HB2 LYS 47 far 0 57 0 - 8.1-8.6 HE3 LYS 90 - HB2 LYS 24 far 0 84 0 - 8.4-9.8 HE3 LYS 90 - HB3 LYS 24 far 0 84 0 - 9.3-10.9 HE2 LYS 13 - HB3 LYS 20 far 0 58 0 - 9.4-14.2 HE3 LYS 13 - HB3 LYS 20 far 0 57 0 - 9.6-14.5 HE3 LYS 12 - HB3 LYS 20 far 0 57 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 1082 from cnoeabs.peaks (2.96, 1.96, 32.08 ppm; 3.84 A): 10 out of 23 assignments used, quality = 1.00: HE2 LYS 73 + HB3 LYS 73 OK 78 87 90 100 2.5-4.3 4.9=49, 3235/3.0=14...(105) HE3 LYS 73 + HB3 LYS 73 OK 66 83 80 100 2.4-4.5 4.9=49, 1.8/3306=14...(111) HE3 LYS 47 + HB2 LYS 47 OK 62 65 95 100 2.0-4.7 4.9=49, 2204/1.8=23...(112) HE2 LYS 47 + HB2 LYS 47 OK 56 65 85 100 2.0-4.6 4.9=49, 2204/1.8=20...(124) HE3 LYS 73 + HB2 LYS 73 OK 46 83 55 100 2.7-5.1 4.9=49, 7.0/7205=16...(126) HE2 LYS 73 + HB2 LYS 73 OK 39 87 45 100 2.3-5.3 4.9=49, 7.0/7205=16...(125) HE2 LYS 24 + HB2 LYS 24 OK 35 100 35 100 3.1-5.1 12306/3.0=51, 4.9=47...(104) HE3 LYS 24 + HB2 LYS 24 OK 30 100 30 100 2.4-5.0 4.9=47, ~12306=36...(103) * HE3 LYS 24 + HB3 LYS 24 OK 25 100 25 100 2.2-5.5 4.9=47, ~12306=36...(101) HE2 LYS 24 + HB3 LYS 24 OK 25 100 25 100 2.6-4.8 12306/3.0=51, 4.9=47...(100) HE2 LYS 24 - HB3 LYS 20 far 0 58 0 - 4.4-9.6 HE3 LYS 24 - HB3 LYS 20 far 0 58 0 - 4.6-9.9 HG2 MET 21 - HB3 LYS 20 far 0 46 0 - 5.0-6.8 HE3 LYS 90 - HB3 LYS 20 far 0 42 0 - 5.2-7.6 HG2 MET 21 - HB2 LYS 24 far 0 90 0 - 5.5-6.1 HG2 MET 21 - HB3 LYS 24 far 0 90 0 - 6.0-7.4 HB3 PHE 45 - HB2 LYS 47 far 0 69 0 - 8.0-8.6 HB2 PHE 45 - HB2 LYS 47 far 0 57 0 - 8.1-8.6 HE3 LYS 90 - HB2 LYS 24 far 0 84 0 - 8.4-9.8 HE3 LYS 90 - HB3 LYS 24 far 0 84 0 - 9.3-10.9 HE2 LYS 13 - HB3 LYS 20 far 0 58 0 - 9.4-14.2 HE3 LYS 13 - HB3 LYS 20 far 0 57 0 - 9.6-14.5 HE3 LYS 12 - HB3 LYS 20 far 0 57 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 1083 from cnoeabs.peaks (7.71, 1.96, 32.08 ppm; 3.22 A): 3 out of 9 assignments used, quality = 0.94: H ALA 25 + HB2 LYS 24 OK 88 100 90 97 2.8-3.5 6400=67, 6397/1061=51...(15) H MET 21 + HB3 LYS 20 OK 34 42 95 85 2.2-3.5 6325=46, 6324/1.8=40...(9) H MET 74 + HB2 LYS 73 OK 29 54 65 83 2.7-4.1 7213/7205=35, 4.6=34...(12) ! H ALA 25 - HB3 LYS 24 far 15 100 15 - 3.0-4.2 H MET 74 - HB3 LYS 73 far 0 53 0 - 3.7-4.3 H MET 21 - HB2 LYS 24 far 0 84 0 - 4.5-5.4 H SER 49 - HB2 LYS 47 far 0 63 0 - 5.1-6.6 H MET 21 - HB3 LYS 24 far 0 84 0 - 6.1-7.1 H ALA 25 - HB3 LYS 20 far 0 58 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. Peak 1084 from cnoeabs.peaks (7.57, 1.59, 25.00 ppm; 4.31 A): 1 out of 7 assignments used, quality = 1.00: * H LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.9-4.5 6385=98, 1061/2.9=85...(28) H ILE 76 - HG3 LYS 73 far 0 91 0 - 6.1-8.0 H GLU 88 - HG3 LYS 90 far 0 79 0 - 6.9-7.4 H LEU 14 - HG3 LYS 12 far 0 87 0 - 7.3-7.6 H LYS 24 - HG3 LYS 90 far 0 79 0 - 8.0-8.5 HD22 ASN 10 - HG3 LYS 12 far 0 70 0 - 8.5-11.5 H LEU 14 - HG3 LYS 90 far 0 66 0 - 9.6-10.3 Violated in 3 structures by 0.01 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 2.2-3.7 3.7=100 HA PRO 86 - HG3 LYS 90 far 0 75 0 - 5.6-6.2 HA LYS 66 - HG3 LYS 73 far 0 81 0 - 7.5-8.7 Violated in 0 structures by 0.00 A. Peak 1086 from cnoeabs.peaks (1.96, 1.59, 25.00 ppm; 3.07 A): 5 out of 18 assignments used, quality = 1.00: HB3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.3-3.0 2.9=100 * HB2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 73 + HG3 LYS 73 OK 95 95 100 100 2.7-3.0 2.9=100 HB3 LYS 73 + HG3 LYS 73 OK 95 95 100 100 2.7-2.9 2.9=100 HB2 GLU 17 + HG3 LYS 90 OK 52 66 95 84 2.5-3.4 1.8/12029=23, ~10433=22...(17) HB3 MET 74 - HG3 LYS 73 far 0 96 0 - 3.5-7.3 QE MET 74 - HG3 LYS 73 far 0 53 0 - 4.3-7.9 HB3 LYS 20 - HG3 LYS 90 far 0 57 0 - 4.5-6.9 HB3 LYS 20 - HG2 LYS 24 far 0 81 0 - 4.5-9.3 HB2 LYS 24 - HG3 LYS 90 far 0 79 0 - 7.1-7.8 HB3 ARG 19 - HG3 LYS 90 far 0 49 0 - 8.0-8.7 HB3 LYS 24 - HG3 LYS 90 far 0 79 0 - 8.1-9.1 HB3 ARG 19 - HG2 LYS 24 far 0 71 0 - 8.8-12.3 HB2 ARG 46 - HG3 LYS 73 far 0 92 0 - 8.9-13.4 HG3 GLU 88 - HG3 LYS 90 far 0 68 0 - 9.3-10.6 HB3 ARG 19 - HG3 LYS 12 far 0 68 0 - 9.4-10.6 HB2 GLU 17 - HG2 LYS 24 far 0 91 0 - 9.5-12.6 HB3 ARG 46 - HG3 LYS 73 far 0 95 0 - 9.9-13.5 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 18 assignments used, quality = 1.00: * HB3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 73 + HG3 LYS 73 OK 95 95 100 100 2.7-3.0 2.9=100 HB3 LYS 73 + HG3 LYS 73 OK 95 95 100 100 2.7-2.9 2.9=100 HB2 GLU 17 + HG3 LYS 90 OK 52 66 95 84 2.5-3.4 1.8/12029=23, ~10433=22...(17) HB3 MET 74 - HG3 LYS 73 far 0 96 0 - 3.5-7.3 QE MET 74 - HG3 LYS 73 far 0 53 0 - 4.3-7.9 HB3 LYS 20 - HG3 LYS 90 far 0 57 0 - 4.5-6.9 HB3 LYS 20 - HG2 LYS 24 far 0 81 0 - 4.5-9.3 HB2 LYS 24 - HG3 LYS 90 far 0 79 0 - 7.1-7.8 HB3 ARG 19 - HG3 LYS 90 far 0 49 0 - 8.0-8.7 HB3 LYS 24 - HG3 LYS 90 far 0 79 0 - 8.1-9.1 HB3 ARG 19 - HG2 LYS 24 far 0 71 0 - 8.8-12.3 HB2 ARG 46 - HG3 LYS 73 far 0 92 0 - 8.9-13.4 HG3 GLU 88 - HG3 LYS 90 far 0 68 0 - 9.3-10.6 HB3 ARG 19 - HG3 LYS 12 far 0 68 0 - 9.4-10.6 HB2 GLU 17 - HG2 LYS 24 far 0 91 0 - 9.5-12.6 HB3 ARG 46 - HG3 LYS 73 far 0 95 0 - 9.9-13.5 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 10 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 HG3 LYS 13 - HG3 LYS 12 far 0 96 0 - 6.0-6.9 HB2 ARG 91 - HG3 LYS 90 far 0 65 0 - 7.0-7.2 HG3 LYS 24 - HG3 LYS 90 far 0 79 0 - 7.7-10.3 HB2 LEU 14 - HG3 LYS 90 far 0 73 0 - 8.8-9.8 HG LEU 57 - HG3 LYS 90 far 0 77 0 - 9.1-9.9 HG3 LYS 33 - HG3 LYS 12 far 0 98 0 - 9.4-10.9 HB2 LEU 14 - HG3 LYS 12 far 0 94 0 - 9.7-10.2 HB ILE 7 - HG3 LYS 90 far 0 73 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 1090 from cnoeabs.peaks (1.70, 1.59, 25.00 ppm; 2.84 A increased from 2.52 A): 7 out of 29 assignments used, quality = 1.00: HD3 LYS 24 + HG2 LYS 24 OK 99 100 100 99 2.3-3.0 3.0=89, 1.8/1121=11...(65) * HD2 LYS 24 + HG2 LYS 24 OK 99 100 100 99 2.3-3.0 3.0=89, 1.8/1121=15...(62) HD3 LYS 12 + HG3 LYS 12 OK 97 98 100 99 2.5-3.0 3.0=87, 3.0/464=33...(43) HD2 LYS 12 + HG3 LYS 12 OK 97 98 100 99 2.3-3.0 3.0=87, 3.0/464=33...(46) HD3 LYS 90 + HG3 LYS 90 OK 78 79 100 99 2.5-2.8 2.9=90, 3981/2.8=38...(26) HD2 LYS 73 + HG3 LYS 73 OK 72 73 100 99 2.2-3.0 3.0=89, 1.8/3298=26...(83) HD3 LYS 73 + HG3 LYS 73 OK 69 70 100 99 2.3-3.0 3.0=89, 1.8/3298=25...(87) HB3 LEU 70 - HG3 LYS 73 far 0 84 0 - 4.3-7.0 HG3 LYS 20 - HG3 LYS 90 far 0 66 0 - 4.6-7.9 HD3 LYS 20 - HG3 LYS 90 far 0 66 0 - 5.0-8.2 HB ILE 15 - HG3 LYS 12 far 0 66 0 - 5.3-6.0 HG LEU 70 - HG3 LYS 73 far 0 95 0 - 5.4-6.8 HG3 LYS 20 - HG2 LYS 24 far 0 91 0 - 5.6-10.8 HD2 LYS 20 - HG3 LYS 90 far 0 69 0 - 5.8-8.1 HD3 LYS 24 - HG3 LYS 90 far 0 79 0 - 6.2-9.4 HD2 LYS 24 - HG3 LYS 90 far 0 79 0 - 6.7-10.1 HG2 PRO 86 - HG3 LYS 90 far 0 79 0 - 6.8-8.0 HD2 LYS 13 - HG3 LYS 12 far 0 98 0 - 7.0-9.4 HD3 LYS 13 - HG3 LYS 12 far 0 98 0 - 7.0-9.7 HB3 ARG 91 - HG3 LYS 90 far 0 74 0 - 7.2-7.5 HD3 LYS 20 - HG2 LYS 24 far 0 91 0 - 7.2-12.3 HG12 ILE 15 - HG3 LYS 12 far 0 99 0 - 7.3-8.1 HD3 LYS 66 - HG3 LYS 73 far 0 95 0 - 7.9-9.7 HD2 LYS 20 - HG2 LYS 24 far 0 94 0 - 8.1-11.6 HD3 LYS 33 - HG3 LYS 12 far 0 75 0 - 8.2-10.2 HD2 LYS 33 - HG3 LYS 12 far 0 75 0 - 8.9-10.8 HD2 LYS 13 - HG3 LYS 90 far 0 78 0 - 9.6-13.1 HD2 LYS 20 - HG3 LYS 12 far 0 91 0 - 9.8-11.8 HD3 LYS 13 - HG3 LYS 90 far 0 77 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 1091 from cnoeabs.peaks (1.70, 1.59, 25.00 ppm; 2.84 A increased from 2.52 A): 7 out of 29 assignments used, quality = 1.00: * HD3 LYS 24 + HG2 LYS 24 OK 99 100 100 99 2.3-3.0 3.0=89, 1.8/1121=11...(65) HD2 LYS 24 + HG2 LYS 24 OK 99 100 100 99 2.3-3.0 3.0=89, 1.8/1121=15...(62) HD3 LYS 12 + HG3 LYS 12 OK 98 98 100 99 2.5-3.0 3.0=87, 3.0/464=33...(43) HD2 LYS 12 + HG3 LYS 12 OK 98 98 100 99 2.3-3.0 3.0=87, 3.0/464=33...(46) HD3 LYS 90 + HG3 LYS 90 OK 78 79 100 99 2.5-2.8 2.9=90, 3981/2.8=38...(26) HD2 LYS 73 + HG3 LYS 73 OK 71 71 100 99 2.2-3.0 3.0=89, 1.8/3298=26...(83) HD3 LYS 73 + HG3 LYS 73 OK 67 68 100 99 2.3-3.0 3.0=89, 1.8/3298=25...(87) HB3 LEU 70 - HG3 LYS 73 far 0 86 0 - 4.3-7.0 HG3 LYS 20 - HG3 LYS 90 far 0 65 0 - 4.6-7.9 HD3 LYS 20 - HG3 LYS 90 far 0 65 0 - 5.0-8.2 HB ILE 15 - HG3 LYS 12 far 0 68 0 - 5.3-6.0 HG LEU 70 - HG3 LYS 73 far 0 96 0 - 5.4-6.8 HG3 LYS 20 - HG2 LYS 24 far 0 90 0 - 5.6-10.8 HD2 LYS 20 - HG3 LYS 90 far 0 68 0 - 5.8-8.1 HD3 LYS 24 - HG3 LYS 90 far 0 79 0 - 6.2-9.4 HD2 LYS 24 - HG3 LYS 90 far 0 79 0 - 6.7-10.1 HG2 PRO 86 - HG3 LYS 90 far 0 78 0 - 6.8-8.0 HD2 LYS 13 - HG3 LYS 12 far 0 98 0 - 7.0-9.4 HD3 LYS 13 - HG3 LYS 12 far 0 98 0 - 7.0-9.7 HB3 ARG 91 - HG3 LYS 90 far 0 73 0 - 7.2-7.5 HD3 LYS 20 - HG2 LYS 24 far 0 90 0 - 7.2-12.3 HG12 ILE 15 - HG3 LYS 12 far 0 98 0 - 7.3-8.1 HD3 LYS 66 - HG3 LYS 73 far 0 95 0 - 7.9-9.7 HD2 LYS 20 - HG2 LYS 24 far 0 93 0 - 8.1-11.6 HD3 LYS 33 - HG3 LYS 12 far 0 77 0 - 8.2-10.2 HD2 LYS 33 - HG3 LYS 12 far 0 77 0 - 8.9-10.8 HD2 LYS 13 - HG3 LYS 90 far 0 78 0 - 9.6-13.1 HD2 LYS 20 - HG3 LYS 12 far 0 90 0 - 9.8-11.8 HD3 LYS 13 - HG3 LYS 90 far 0 78 0 - 9.9-12.9 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: * HE2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.3-3.8 3.7=92, 12306/3.7=39...(110) HE3 LYS 12 + HG3 LYS 12 OK 98 98 100 100 2.2-3.9 4.0=76, 1.8/464=71...(43) HE3 LYS 24 + HG2 LYS 24 OK 95 100 95 100 2.1-3.9 3.7=92, 1.8/1143=18...(108) HE2 LYS 73 + HG3 LYS 73 OK 83 93 90 100 2.1-4.2 4.0=74, 3.0/3298=27...(115) HE3 LYS 73 + HG3 LYS 73 OK 75 89 85 100 2.1-4.2 4.0=74, 3.0/3298=27...(116) HG2 MET 21 + HG3 LYS 90 OK 61 65 100 95 2.0-2.9 8557/1.8=37...(19) HE3 LYS 90 + HG3 LYS 90 OK 59 59 100 100 2.2-2.9 3.8=87, 4005/1.8=56...(22) HG2 MET 21 - HG2 LYS 24 far 0 90 0 - 5.8-8.5 HE3 LYS 13 - HG3 LYS 12 far 0 98 0 - 6.0-10.1 HE3 LYS 24 - HG3 LYS 90 far 0 79 0 - 6.3-10.6 HB3 ASP 11 - HG3 LYS 12 far 0 70 0 - 7.0-7.7 HE2 LYS 24 - HG3 LYS 90 far 0 79 0 - 7.0-10.9 HE2 LYS 13 - HG3 LYS 12 far 0 99 0 - 7.3-10.3 HB2 ASN 10 - HG3 LYS 12 far 0 66 0 - 8.4-9.8 HB2 SER 9 - HG3 LYS 12 far 0 75 0 - 8.7-10.7 HE3 LYS 90 - HG2 LYS 24 far 0 84 0 - 9.0-11.8 HE3 LYS 13 - HG3 LYS 90 far 0 78 0 - 9.3-14.3 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: HE2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.3-3.8 3.7=92, 12306/3.7=39...(110) HE3 LYS 12 + HG3 LYS 12 OK 98 98 100 100 2.2-3.9 4.0=76, 1.8/464=71...(43) * HE3 LYS 24 + HG2 LYS 24 OK 95 100 95 100 2.1-3.9 3.7=92, 1.8/1143=18...(108) HE2 LYS 73 + HG3 LYS 73 OK 83 93 90 100 2.1-4.2 4.0=74, 3.0/3298=27...(115) HE3 LYS 73 + HG3 LYS 73 OK 75 89 85 100 2.1-4.2 4.0=74, 3.0/3298=27...(116) HG2 MET 21 + HG3 LYS 90 OK 61 65 100 95 2.0-2.9 8557/1.8=37...(19) HE3 LYS 90 + HG3 LYS 90 OK 59 59 100 100 2.2-2.9 3.8=87, 4005/1.8=56...(22) HG2 MET 21 - HG2 LYS 24 far 0 90 0 - 5.8-8.5 HE3 LYS 13 - HG3 LYS 12 far 0 98 0 - 6.0-10.1 HE3 LYS 24 - HG3 LYS 90 far 0 79 0 - 6.3-10.6 HB3 ASP 11 - HG3 LYS 12 far 0 70 0 - 7.0-7.7 HE2 LYS 24 - HG3 LYS 90 far 0 79 0 - 7.0-10.9 HE2 LYS 13 - HG3 LYS 12 far 0 99 0 - 7.3-10.3 HB2 ASN 10 - HG3 LYS 12 far 0 66 0 - 8.4-9.8 HB2 SER 9 - HG3 LYS 12 far 0 75 0 - 8.7-10.7 HE3 LYS 90 - HG2 LYS 24 far 0 84 0 - 9.0-11.8 HE3 LYS 13 - HG3 LYS 90 far 0 78 0 - 9.3-14.3 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 5 assignments used, quality = 0.93: * H ALA 25 + HG2 LYS 24 OK 60 100 60 100 4.5-5.6 6397/1084=75...(12) H MET 74 + HG3 LYS 73 OK 57 58 100 98 2.3-4.9 4.7/7208=64, 3.6/3232=54...(11) H MET 21 + HG3 LYS 90 OK 57 59 100 95 3.9-4.8 10441=63, 8561/1.8=52...(9) H MET 21 - HG2 LYS 24 far 4 84 5 - 5.2-8.3 H ALA 25 - HG3 LYS 90 far 0 79 0 - 9.0-9.5 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 2.3-4.3 6386=100, 1061/2.9=86...(22) H LEU 14 + HG3 LYS 13 OK 58 84 70 99 4.2-4.7 3.6/486=69, 6182/6177=64...(12) H GLU 44 - HG2 LYS 47 poor 13 65 20 - 4.6-5.8 HD22 ASN 10 - HG3 LYS 33 far 0 66 0 - 6.0-9.7 H ILE 76 - HG2 LYS 73 far 0 85 0 - 7.6-8.1 HD22 ASN 10 - HG3 LYS 13 far 0 67 0 - 9.7-12.9 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 2.1-3.6 3.7=87, 3.0/6386=43...(46) HA ARG 46 - HG2 LYS 47 far 0 67 0 - 5.0-6.8 HA LYS 66 - HG2 LYS 73 far 0 75 0 - 6.4-7.5 HA PRO 86 - HG3 LYS 13 far 0 94 0 - 9.1-9.8 Violated in 1 structures by 0.00 A. Peak 1097 from cnoeabs.peaks (1.96, 1.51, 25.00 ppm; 2.86 A): 6 out of 20 assignments used, quality = 1.00: HB3 LYS 24 + HG3 LYS 24 OK 99 100 100 99 2.5-3.0 2.9=92, 3.0/1096=35...(63) * HB2 LYS 24 + HG3 LYS 24 OK 99 100 100 99 2.2-3.0 2.9=92, 3.0/1096=35...(61) HB2 LYS 73 + HG2 LYS 73 OK 89 90 100 100 2.2-2.3 2.9=93, 7205/7207=30...(67) HB3 LYS 73 + HG2 LYS 73 OK 89 89 100 99 2.7-3.0 2.9=93, 4.1/7207=21...(48) HB2 LYS 47 + HG2 LYS 47 OK 87 88 100 99 2.4-3.0 3.0=90, 2134/6772=24...(71) HB3 LYS 47 + HG2 LYS 47 OK 48 48 100 99 2.2-2.7 3.0=90, 3.0/2126=22...(79) HB3 ARG 46 - HG2 LYS 47 far 0 88 0 - 3.6-6.0 HB2 ARG 46 - HG2 LYS 47 far 0 84 0 - 4.3-6.9 HB3 GLU 44 - HG2 LYS 47 far 0 48 0 - 4.5-5.1 HB2 GLU 44 - HG2 LYS 47 far 0 48 0 - 4.9-5.9 QE MET 74 - HG2 LYS 73 far 0 48 0 - 5.1-7.0 HB3 MET 74 - HG2 LYS 73 far 0 90 0 - 5.2-7.0 HB3 LYS 20 - HG3 LYS 24 far 0 81 0 - 5.3-8.7 HB2 GLU 37 - HG3 LYS 33 far 0 90 0 - 5.3-5.8 HB VAL 32 - HG3 LYS 33 far 0 82 0 - 5.4-5.6 QE MET 74 - HG2 LYS 47 far 0 47 0 - 7.0-9.0 HB3 ARG 19 - HG3 LYS 24 far 0 71 0 - 8.2-11.8 HB2 GLU 17 - HG3 LYS 13 far 0 84 0 - 8.9-10.1 HB2 GLU 17 - HG3 LYS 24 far 0 91 0 - 9.4-12.1 HB3 MET 74 - HG2 LYS 47 far 0 89 0 - 9.7-12.8 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 20 assignments used, quality = 1.00: * HB3 LYS 24 + HG3 LYS 24 OK 99 100 100 99 2.5-3.0 2.9=92, 3.0/1096=35...(63) HB2 LYS 24 + HG3 LYS 24 OK 99 100 100 99 2.2-3.0 2.9=92, 3.0/1096=35...(61) HB2 LYS 73 + HG2 LYS 73 OK 89 90 100 100 2.2-2.3 2.9=93, 7205/7207=30...(67) HB3 LYS 73 + HG2 LYS 73 OK 89 89 100 99 2.7-3.0 2.9=93, 4.1/7207=21...(48) HB2 LYS 47 + HG2 LYS 47 OK 87 88 100 99 2.4-3.0 3.0=90, 2134/6772=24...(71) HB3 LYS 47 + HG2 LYS 47 OK 48 48 100 99 2.2-2.7 3.0=90, 3.0/2126=22...(79) HB3 ARG 46 - HG2 LYS 47 far 0 88 0 - 3.6-6.0 HB2 ARG 46 - HG2 LYS 47 far 0 84 0 - 4.3-6.9 HB3 GLU 44 - HG2 LYS 47 far 0 48 0 - 4.5-5.1 HB2 GLU 44 - HG2 LYS 47 far 0 48 0 - 4.9-5.9 QE MET 74 - HG2 LYS 73 far 0 48 0 - 5.1-7.0 HB3 MET 74 - HG2 LYS 73 far 0 90 0 - 5.2-7.0 HB3 LYS 20 - HG3 LYS 24 far 0 81 0 - 5.3-8.7 HB2 GLU 37 - HG3 LYS 33 far 0 90 0 - 5.3-5.8 HB VAL 32 - HG3 LYS 33 far 0 82 0 - 5.4-5.6 QE MET 74 - HG2 LYS 47 far 0 47 0 - 7.0-9.0 HB3 ARG 19 - HG3 LYS 24 far 0 71 0 - 8.2-11.8 HB2 GLU 17 - HG3 LYS 13 far 0 84 0 - 8.9-10.1 HB2 GLU 17 - HG3 LYS 24 far 0 91 0 - 9.4-12.1 HB3 MET 74 - HG2 LYS 47 far 0 89 0 - 9.7-12.8 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 15 assignments used, quality = 1.00: * HG2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 73 + HG2 LYS 73 OK 86 86 100 100 1.8-1.8 1.8=100 HG2 LYS 33 + HG3 LYS 33 OK 55 55 100 100 1.8-1.8 1.8=100 HG3 LYS 47 + HG2 LYS 47 OK 52 52 100 100 1.8-1.8 1.8=100 HD2 LYS 94 - HG3 LYS 24 far 0 61 0 - 4.6-10.5 HG3 LYS 12 - HG3 LYS 13 far 0 95 0 - 6.0-6.9 HD3 LYS 94 - HG3 LYS 24 far 0 98 0 - 6.1-12.1 HD2 LYS 66 - HG2 LYS 73 far 0 84 0 - 7.1-9.7 HG LEU 27 - HG3 LYS 24 far 0 98 0 - 7.5-9.7 HG3 LYS 90 - HG3 LYS 24 far 0 100 0 - 7.7-10.3 HB2 ARG 30 - HG3 LYS 33 far 0 88 0 - 8.2-8.5 HB3 LEU 29 - HG3 LYS 24 far 0 99 0 - 9.1-11.5 HG3 LYS 12 - HG3 LYS 33 far 0 94 0 - 9.4-10.9 HG2 ARG 19 - HG3 LYS 13 far 0 97 0 - 9.7-13.3 HG2 ARG 19 - HG3 LYS 33 far 0 96 0 - 10.0-10.9 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; 2.63 A increased from 2.48 A): 9 out of 29 assignments used, quality = 1.00: HD3 LYS 47 + HG2 LYS 47 OK 80 83 100 97 2.3-2.6 3.0=70, ~2195=9...(80) HD3 LYS 13 + HG3 LYS 13 OK 63 95 70 94 2.3-3.0 3.0=71, 5.5/486=11...(43) HD3 LYS 33 + HG3 LYS 33 OK 62 71 90 97 2.3-3.0 3.0=70, ~1483=23...(48) * HD2 LYS 24 + HG3 LYS 24 OK 62 100 65 96 2.3-3.0 3.0=71, 4.9/1096=14...(54) HD2 LYS 13 + HG3 LYS 13 OK 58 96 65 94 2.3-3.0 3.0=71, 5.5/486=11...(40) HD3 LYS 24 + HG3 LYS 24 OK 58 100 60 96 2.3-3.0 3.0=71, 4.9/1096=14...(57) HD2 LYS 73 + HG2 LYS 73 OK 45 67 70 95 2.3-3.0 3.0=71, 3298/1.8=16...(67) HD2 LYS 47 + HG2 LYS 47 OK 44 82 55 98 2.3-3.0 3.0=70, 2195/1.8=19...(102) HD3 LYS 73 + HG2 LYS 73 OK 37 64 60 95 2.4-3.0 3.0=71, 3298/1.8=17...(67) HD2 LYS 33 - HG3 LYS 33 far 7 71 10 - 2.7-3.0 HB3 LEU 70 - HG2 LYS 73 far 0 78 0 - 4.4-5.5 HG LEU 70 - HG2 LYS 73 far 0 90 0 - 4.5-5.1 HD3 LYS 12 - HG3 LYS 13 far 0 96 0 - 5.8-7.4 HG3 LYS 20 - HG3 LYS 24 far 0 91 0 - 6.2-10.6 HG12 ILE 15 - HG3 LYS 33 far 0 96 0 - 6.3-8.1 HD2 LYS 12 - HG3 LYS 13 far 0 96 0 - 6.5-8.1 HD3 LYS 66 - HG2 LYS 73 far 0 89 0 - 6.7-8.4 HB ILE 15 - HG3 LYS 13 far 0 63 0 - 6.8-7.5 HG2 PRO 86 - HG3 LYS 13 far 0 96 0 - 6.9-8.6 HD3 LYS 20 - HG3 LYS 24 far 0 91 0 - 7.0-12.0 HD2 LYS 20 - HG3 LYS 24 far 0 94 0 - 7.5-11.1 HD2 LYS 12 - HG3 LYS 33 far 0 95 0 - 7.6-10.8 HB ILE 52 - HG2 LYS 47 far 0 70 0 - 7.7-8.9 HG12 ILE 15 - HG3 LYS 13 far 0 96 0 - 8.1-9.8 HD3 LYS 12 - HG3 LYS 33 far 0 95 0 - 8.1-10.5 HB ILE 15 - HG3 LYS 33 far 0 62 0 - 8.6-9.1 HD2 LYS 20 - HG3 LYS 13 far 0 88 0 - 8.6-10.1 HD3 LYS 20 - HG3 LYS 13 far 0 84 0 - 8.7-11.5 HB2 LEU 2 - HG2 LYS 47 far 0 88 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 1102 from cnoeabs.peaks (1.70, 1.51, 25.00 ppm; 2.63 A increased from 2.48 A): 9 out of 29 assignments used, quality = 1.00: HD3 LYS 47 + HG2 LYS 47 OK 79 82 100 97 2.3-2.6 3.0=70, ~2195=9...(80) HD3 LYS 33 + HG3 LYS 33 OK 64 73 90 97 2.3-3.0 3.0=70, ~1483=23...(48) HD3 LYS 13 + HG3 LYS 13 OK 63 96 70 94 2.3-3.0 3.0=71, 5.5/486=11...(43) HD2 LYS 24 + HG3 LYS 24 OK 62 100 65 96 2.3-3.0 3.0=71, 4.9/1096=14...(54) HD2 LYS 13 + HG3 LYS 13 OK 59 96 65 94 2.3-3.0 3.0=71, 5.5/486=11...(40) * HD3 LYS 24 + HG3 LYS 24 OK 58 100 60 96 2.3-3.0 3.0=71, 4.9/1096=14...(57) HD2 LYS 73 + HG2 LYS 73 OK 44 65 70 95 2.3-3.0 3.0=71, 3298/1.8=15...(67) HD2 LYS 47 + HG2 LYS 47 OK 44 81 55 98 2.3-3.0 3.0=70, 2195/1.8=19...(102) HD3 LYS 73 + HG2 LYS 73 OK 36 62 60 95 2.4-3.0 3.0=71, 3298/1.8=16...(67) HD2 LYS 33 - HG3 LYS 33 far 7 73 10 - 2.7-3.0 HB3 LEU 70 - HG2 LYS 73 far 0 80 0 - 4.4-5.5 HG LEU 70 - HG2 LYS 73 far 0 90 0 - 4.5-5.1 HD3 LYS 12 - HG3 LYS 13 far 0 96 0 - 5.8-7.4 HG3 LYS 20 - HG3 LYS 24 far 0 90 0 - 6.2-10.6 HG12 ILE 15 - HG3 LYS 33 far 0 95 0 - 6.3-8.1 HD2 LYS 12 - HG3 LYS 13 far 0 96 0 - 6.5-8.1 HD3 LYS 66 - HG2 LYS 73 far 0 90 0 - 6.7-8.4 HB ILE 15 - HG3 LYS 13 far 0 65 0 - 6.8-7.5 HG2 PRO 86 - HG3 LYS 13 far 0 96 0 - 6.9-8.6 HD3 LYS 20 - HG3 LYS 24 far 0 90 0 - 7.0-12.0 HD2 LYS 20 - HG3 LYS 24 far 0 93 0 - 7.5-11.1 HD2 LYS 12 - HG3 LYS 33 far 0 95 0 - 7.6-10.8 HB ILE 52 - HG2 LYS 47 far 0 69 0 - 7.7-8.9 HG12 ILE 15 - HG3 LYS 13 far 0 96 0 - 8.1-9.8 HD3 LYS 12 - HG3 LYS 33 far 0 95 0 - 8.1-10.5 HB ILE 15 - HG3 LYS 33 far 0 64 0 - 8.6-9.1 HD2 LYS 20 - HG3 LYS 13 far 0 87 0 - 8.6-10.1 HD3 LYS 20 - HG3 LYS 13 far 0 83 0 - 8.7-11.5 HB2 LEU 2 - HG2 LYS 47 far 0 88 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 1103 from cnoeabs.peaks (2.96, 1.51, 25.00 ppm; 3.69 A increased from 3.48 A): 8 out of 19 assignments used, quality = 1.00: * HE2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-4.0 3.7=98, 12306/1096=41...(104) HE3 LYS 24 + HG3 LYS 24 OK 95 100 95 100 2.3-4.2 3.7=98, 6.2/1096=20...(102) HE2 LYS 13 + HG3 LYS 13 OK 92 96 95 100 2.3-4.1 3.8=90, 474/1.8=25...(77) HE3 LYS 13 + HG3 LYS 13 OK 91 96 95 100 2.1-4.2 3.8=90, 474/1.8=28...(76) HE3 LYS 47 + HG2 LYS 47 OK 84 84 100 100 2.4-3.9 3.8=94, 2154/3.0=22...(121) HE2 LYS 73 + HG2 LYS 73 OK 78 87 90 100 2.1-4.2 4.0=79, 3.0/3297=16...(110) HE3 LYS 73 + HG2 LYS 73 OK 74 83 90 100 2.2-4.1 4.0=79, 3.0/3297=16...(109) HE2 LYS 47 + HG2 LYS 47 OK 59 84 70 100 2.3-4.2 3.8=94, 2155/3.0=21...(126) HB3 ASP 11 - HG3 LYS 13 far 7 67 10 - 4.0-5.8 HE3 LYS 12 - HG3 LYS 13 far 0 96 0 - 5.4-9.4 HB2 PHE 45 - HG2 LYS 47 far 0 75 0 - 6.0-7.8 HG2 MET 21 - HG3 LYS 24 far 0 90 0 - 6.1-8.8 HB3 PHE 45 - HG2 LYS 47 far 0 88 0 - 6.5-8.1 HE3 LYS 12 - HG3 LYS 33 far 0 95 0 - 7.4-10.5 HB2 SER 9 - HG3 LYS 33 far 0 71 0 - 7.7-8.5 HB2 ASN 10 - HG3 LYS 33 far 0 62 0 - 8.6-9.2 HB2 SER 9 - HG3 LYS 13 far 0 72 0 - 8.7-10.9 HE3 LYS 90 - HG3 LYS 24 far 0 84 0 - 8.9-11.4 HB2 ASN 10 - HG3 LYS 13 far 0 63 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 1104 from cnoeabs.peaks (2.96, 1.51, 25.00 ppm; 3.69 A increased from 3.48 A): 8 out of 19 assignments used, quality = 1.00: HE2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-4.0 3.7=98, 12306/1096=41...(104) * HE3 LYS 24 + HG3 LYS 24 OK 95 100 95 100 2.3-4.2 3.7=98, 6.2/1096=20...(102) HE2 LYS 13 + HG3 LYS 13 OK 92 96 95 100 2.3-4.1 3.8=90, 474/1.8=25...(77) HE3 LYS 13 + HG3 LYS 13 OK 91 96 95 100 2.1-4.2 3.8=90, 474/1.8=28...(76) HE3 LYS 47 + HG2 LYS 47 OK 84 84 100 100 2.4-3.9 3.8=94, 2154/3.0=22...(121) HE2 LYS 73 + HG2 LYS 73 OK 78 87 90 100 2.1-4.2 4.0=79, 3.0/3297=16...(110) HE3 LYS 73 + HG2 LYS 73 OK 74 83 90 100 2.2-4.1 4.0=79, 3.0/3297=16...(109) HE2 LYS 47 + HG2 LYS 47 OK 59 84 70 100 2.3-4.2 3.8=94, 2155/3.0=21...(126) HB3 ASP 11 - HG3 LYS 13 far 7 67 10 - 4.0-5.8 HE3 LYS 12 - HG3 LYS 13 far 0 96 0 - 5.4-9.4 HB2 PHE 45 - HG2 LYS 47 far 0 75 0 - 6.0-7.8 HG2 MET 21 - HG3 LYS 24 far 0 90 0 - 6.1-8.8 HB3 PHE 45 - HG2 LYS 47 far 0 88 0 - 6.5-8.1 HE3 LYS 12 - HG3 LYS 33 far 0 95 0 - 7.4-10.5 HB2 SER 9 - HG3 LYS 33 far 0 71 0 - 7.7-8.5 HB2 ASN 10 - HG3 LYS 33 far 0 62 0 - 8.6-9.2 HB2 SER 9 - HG3 LYS 13 far 0 72 0 - 8.7-10.9 HE3 LYS 90 - HG3 LYS 24 far 0 84 0 - 8.9-11.4 HB2 ASN 10 - HG3 LYS 13 far 0 63 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 1105 from cnoeabs.peaks (7.71, 1.51, 25.00 ppm; 5.15 A): 2 out of 5 assignments used, quality = 1.00: * H ALA 25 + HG3 LYS 24 OK 100 100 100 100 3.9-5.3 6402=94, 3.6/1096=85...(10) H MET 74 + HG2 LYS 73 OK 52 53 100 98 3.9-4.9 4.7/7207=61, 7219=52...(11) H MET 21 - HG3 LYS 24 far 8 84 10 - 4.5-7.7 H SER 49 - HG2 LYS 47 far 0 82 0 - 5.7-6.9 H GLU 37 - HG3 LYS 33 far 0 68 0 - 7.2-7.7 Violated in 0 structures by 0.00 A. Peak 1106 from cnoeabs.peaks (7.57, 1.70, 28.90 ppm; 5.02 A increased from 4.46 A): 5 out of 18 assignments used, quality = 1.00: * H LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.4-5.1 1061/3.6=90, 6386/3.0=81...(21) H LYS 24 + HD3 LYS 24 OK 85 100 85 100 3.1-5.8 1061/3.6=90, 6386/3.0=81...(23) H LEU 14 + HD2 LYS 13 OK 48 89 55 98 5.0-6.3 6191/3.0=59, 6182/6.0=45...(10) H GLU 88 + HB3 ARG 91 OK 41 55 75 99 5.1-5.5 3.0/3871=65, ~4024=59...(16) H LEU 14 + HD3 LYS 13 OK 21 88 25 98 5.1-6.3 6191/3.0=59, 6182/6.0=45...(10) H GLU 44 - HD2 LYS 47 poor 14 35 40 - 5.0-7.2 HD22 ASN 10 - HD3 LYS 33 far 4 26 15 - 4.7-8.5 H GLU 44 - HD3 LYS 47 far 2 36 5 - 5.3-6.2 HD22 ASN 10 - HD2 LYS 12 far 0 62 0 - 5.9-12.7 H LEU 14 - HD3 LYS 12 far 0 79 0 - 6.0-7.1 H LEU 14 - HD2 LYS 12 far 0 79 0 - 6.1-8.2 HD22 ASN 10 - HD3 LYS 12 far 0 62 0 - 6.2-11.6 HD22 ASN 10 - HD2 LYS 33 far 0 26 0 - 6.3-9.8 H LYS 24 - HD3 LYS 20 far 0 56 0 - 6.7-9.4 H ILE 76 - HD2 LYS 73 far 0 58 0 - 7.5-10.1 H LYS 24 - HD2 LYS 20 far 0 62 0 - 8.3-9.5 H LEU 14 - HD2 LYS 20 far 0 50 0 - 8.3-9.7 H LEU 14 - HD3 LYS 20 far 0 46 0 - 8.7-10.7 Violated in 0 structures by 0.00 A. Peak 1107 from cnoeabs.peaks (4.10, 1.70, 28.90 ppm; 4.56 A increased from 3.65 A): 2 out of 11 assignments used, quality = 1.00: * HA LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.0-4.6 1096/3.0=83, 4.9=78...(72) HA LYS 24 + HD3 LYS 24 OK 95 100 95 100 3.6-5.0 1096/3.0=83, 4.9=78...(75) HA ARG 46 - HD2 LYS 47 far 0 36 0 - 5.2-8.0 HA ARG 46 - HD3 LYS 47 far 0 37 0 - 6.2-7.9 HA LYS 66 - HD2 LYS 73 far 0 49 0 - 7.3-9.9 HA PRO 86 - HB3 ARG 91 far 0 52 0 - 7.9-8.3 HA PRO 86 - HD2 LYS 13 far 0 97 0 - 8.0-10.5 HA PRO 86 - HD2 LYS 20 far 0 58 0 - 8.2-10.4 HA PRO 86 - HD3 LYS 20 far 0 53 0 - 8.2-11.0 HA PRO 86 - HD3 LYS 13 far 0 96 0 - 8.2-10.5 HA LYS 24 - HD3 LYS 20 far 0 56 0 - 8.8-11.3 Violated in 0 structures by 0.00 A. Peak 1108 from cnoeabs.peaks (1.96, 1.70, 28.90 ppm; 3.05 A increased from 2.87 A): 9 out of 56 assignments used, quality = 1.00: * HB2 LYS 24 + HD2 LYS 24 OK 84 100 85 99 2.1-3.7 3.6=63, 1060/11063=17...(97) HB2 LYS 24 + HD3 LYS 24 OK 64 100 65 99 2.1-4.2 3.6=63, ~1096=13...(99) HB3 LYS 24 + HD2 LYS 24 OK 64 100 65 99 2.3-3.9 3.6=63, 3.0/1118=14...(92) HB3 LYS 24 + HD3 LYS 24 OK 59 100 60 99 2.2-4.1 3.6=63, ~1096=13...(94) HB2 LYS 47 + HD3 LYS 47 OK 33 52 65 99 2.7-3.7 3.9=46, 1.8/2153=14...(97) HB3 LYS 73 + HD2 LYS 73 OK 27 62 45 99 2.1-3.5 3.6=61, 3244/1.8=11...(103) HB3 LYS 20 + HD2 LYS 20 OK 27 43 65 96 2.4-4.2 3.5=64, ~848=14, ~883=14...(48) HB3 LYS 20 + HD3 LYS 20 OK 26 39 70 95 2.0-3.9 3.5=64, ~848=14, ~883=14...(42) HB2 LYS 47 + HD2 LYS 47 OK 23 51 45 99 2.2-3.8 3.9=46, 3.0/2175=12...(103) HB2 LYS 73 - HD2 LYS 73 poor 19 62 30 - 3.0-4.2 HB3 LYS 47 - HD3 LYS 47 poor 18 26 70 - 2.4-4.2 HB3 LYS 47 - HD2 LYS 47 poor 5 25 20 - 2.7-3.7 HB3 ARG 19 - HD3 LYS 20 far 3 33 10 - 2.5-6.4 HB3 ARG 46 - HD2 LYS 47 far 0 51 0 - 3.5-7.4 HB3 LYS 20 - HD3 LYS 24 far 0 81 0 - 3.5-9.0 HB3 ARG 19 - HD2 LYS 20 far 0 37 0 - 3.5-5.5 HB3 ARG 46 - HD3 LYS 47 far 0 53 0 - 3.9-7.2 HB3 GLU 44 - HD2 LYS 47 far 0 25 0 - 3.9-7.1 HB2 ARG 46 - HD2 LYS 47 far 0 48 0 - 3.9-7.8 HB2 GLU 17 - HD3 LYS 20 far 0 46 0 - 3.9-7.4 HB3 GLU 44 - HD3 LYS 47 far 0 26 0 - 4.1-5.9 QE MET 74 - HD2 LYS 73 far 0 30 0 - 4.2-8.4 HB3 LYS 20 - HD2 LYS 24 far 0 81 0 - 4.4-7.6 HB3 MET 74 - HD2 LYS 73 far 0 63 0 - 4.4-8.7 HB2 GLU 17 - HD2 LYS 20 far 0 50 0 - 4.6-7.1 HB2 ARG 46 - HD3 LYS 47 far 0 50 0 - 4.7-8.1 HB2 GLU 44 - HD3 LYS 47 far 0 26 0 - 4.8-6.7 HB2 GLU 44 - HD2 LYS 47 far 0 25 0 - 4.9-7.6 HG3 GLU 88 - HB3 ARG 91 far 0 46 0 - 6.1-6.8 HB2 GLU 37 - HD2 LYS 33 far 0 39 0 - 6.9-7.5 HB3 ARG 19 - HD3 LYS 12 far 0 60 0 - 7.0-11.6 HB2 GLU 17 - HD2 LYS 13 far 0 89 0 - 7.0-10.2 HB2 GLU 17 - HD3 LYS 13 far 0 88 0 - 7.2-10.2 HB2 GLU 37 - HD3 LYS 33 far 0 39 0 - 7.3-7.9 HB2 LYS 24 - HD3 LYS 20 far 0 56 0 - 7.3-9.9 QE MET 74 - HD3 LYS 47 far 0 25 0 - 7.4-9.6 HB VAL 32 - HD3 LYS 33 far 0 34 0 - 7.6-8.2 QE MET 74 - HD2 LYS 47 far 0 24 0 - 7.7-10.3 HB3 ARG 19 - HD2 LYS 12 far 0 60 0 - 7.7-10.7 HB3 ARG 19 - HD3 LYS 24 far 0 71 0 - 8.0-12.6 HB VAL 32 - HD2 LYS 33 far 0 34 0 - 8.0-8.5 HB2 LYS 24 - HD2 LYS 20 far 0 62 0 - 8.1-9.8 HB3 ARG 19 - HD2 LYS 24 far 0 71 0 - 8.1-11.4 HB2 GLU 17 - HD3 LYS 24 far 0 91 0 - 8.5-11.6 HB2 GLU 17 - HB3 ARG 91 far 0 44 0 - 8.7-9.5 HB2 GLU 17 - HD2 LYS 24 far 0 91 0 - 8.8-11.8 HB3 ARG 19 - HD3 LYS 13 far 0 69 0 - 8.9-12.8 HB3 LYS 24 - HD3 LYS 20 far 0 56 0 - 9.0-11.2 HB2 ARG 46 - HD2 LYS 73 far 0 59 0 - 9.0-14.8 HB3 LYS 24 - HD2 LYS 20 far 0 62 0 - 9.1-11.3 HB3 LYS 20 - HD3 LYS 13 far 0 78 0 - 9.1-12.9 HB3 LYS 20 - HD2 LYS 13 far 0 79 0 - 9.2-14.4 HB3 ARG 19 - HD2 LYS 13 far 0 70 0 - 9.2-12.9 HB3 MET 74 - HD2 LYS 47 far 0 52 0 - 9.7-13.9 HB3 ARG 46 - HD2 LYS 73 far 0 63 0 - 9.9-14.7 HB3 MET 74 - HD3 LYS 47 far 0 53 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 1109 from cnoeabs.peaks (1.96, 1.70, 28.90 ppm; 3.05 A increased from 2.87 A): 9 out of 56 assignments used, quality = 1.00: HB2 LYS 24 + HD2 LYS 24 OK 84 100 85 99 2.1-3.7 3.6=63, 1060/11063=17...(97) HB2 LYS 24 + HD3 LYS 24 OK 64 100 65 99 2.1-4.2 3.6=63, ~1096=13...(99) * HB3 LYS 24 + HD2 LYS 24 OK 64 100 65 99 2.3-3.9 3.6=63, 3.0/1118=14...(92) HB3 LYS 24 + HD3 LYS 24 OK 59 100 60 99 2.2-4.1 3.6=63, ~1096=13...(94) HB2 LYS 47 + HD3 LYS 47 OK 33 52 65 99 2.7-3.7 3.9=46, 1.8/2153=14...(97) HB3 LYS 73 + HD2 LYS 73 OK 27 62 45 99 2.1-3.5 3.6=61, 3244/1.8=11...(103) HB3 LYS 20 + HD2 LYS 20 OK 27 43 65 96 2.4-4.2 3.5=64, ~848=14, ~883=14...(48) HB3 LYS 20 + HD3 LYS 20 OK 26 39 70 95 2.0-3.9 3.5=64, ~848=14, ~883=14...(42) HB2 LYS 47 + HD2 LYS 47 OK 23 51 45 99 2.2-3.8 3.9=46, 3.0/2175=12...(103) HB2 LYS 73 - HD2 LYS 73 poor 19 62 30 - 3.0-4.2 HB3 LYS 47 - HD3 LYS 47 poor 18 26 70 - 2.4-4.2 HB3 LYS 47 - HD2 LYS 47 poor 5 25 20 - 2.7-3.7 HB3 ARG 19 - HD3 LYS 20 far 3 33 10 - 2.5-6.4 HB3 ARG 46 - HD2 LYS 47 far 0 51 0 - 3.5-7.4 HB3 LYS 20 - HD3 LYS 24 far 0 81 0 - 3.5-9.0 HB3 ARG 19 - HD2 LYS 20 far 0 37 0 - 3.5-5.5 HB3 ARG 46 - HD3 LYS 47 far 0 53 0 - 3.9-7.2 HB3 GLU 44 - HD2 LYS 47 far 0 25 0 - 3.9-7.1 HB2 ARG 46 - HD2 LYS 47 far 0 48 0 - 3.9-7.8 HB2 GLU 17 - HD3 LYS 20 far 0 46 0 - 3.9-7.4 HB3 GLU 44 - HD3 LYS 47 far 0 26 0 - 4.1-5.9 QE MET 74 - HD2 LYS 73 far 0 30 0 - 4.2-8.4 HB3 LYS 20 - HD2 LYS 24 far 0 81 0 - 4.4-7.6 HB3 MET 74 - HD2 LYS 73 far 0 63 0 - 4.4-8.7 HB2 GLU 17 - HD2 LYS 20 far 0 50 0 - 4.6-7.1 HB2 ARG 46 - HD3 LYS 47 far 0 50 0 - 4.7-8.1 HB2 GLU 44 - HD3 LYS 47 far 0 26 0 - 4.8-6.7 HB2 GLU 44 - HD2 LYS 47 far 0 25 0 - 4.9-7.6 HG3 GLU 88 - HB3 ARG 91 far 0 46 0 - 6.1-6.8 HB2 GLU 37 - HD2 LYS 33 far 0 39 0 - 6.9-7.5 HB3 ARG 19 - HD3 LYS 12 far 0 60 0 - 7.0-11.6 HB2 GLU 17 - HD2 LYS 13 far 0 89 0 - 7.0-10.2 HB2 GLU 17 - HD3 LYS 13 far 0 88 0 - 7.2-10.2 HB2 GLU 37 - HD3 LYS 33 far 0 39 0 - 7.3-7.9 HB2 LYS 24 - HD3 LYS 20 far 0 56 0 - 7.3-9.9 QE MET 74 - HD3 LYS 47 far 0 25 0 - 7.4-9.6 HB VAL 32 - HD3 LYS 33 far 0 34 0 - 7.6-8.2 QE MET 74 - HD2 LYS 47 far 0 24 0 - 7.7-10.3 HB3 ARG 19 - HD2 LYS 12 far 0 60 0 - 7.7-10.7 HB3 ARG 19 - HD3 LYS 24 far 0 71 0 - 8.0-12.6 HB VAL 32 - HD2 LYS 33 far 0 34 0 - 8.0-8.5 HB2 LYS 24 - HD2 LYS 20 far 0 62 0 - 8.1-9.8 HB3 ARG 19 - HD2 LYS 24 far 0 71 0 - 8.1-11.4 HB2 GLU 17 - HD3 LYS 24 far 0 91 0 - 8.5-11.6 HB2 GLU 17 - HB3 ARG 91 far 0 44 0 - 8.7-9.5 HB2 GLU 17 - HD2 LYS 24 far 0 91 0 - 8.8-11.8 HB3 ARG 19 - HD3 LYS 13 far 0 69 0 - 8.9-12.8 HB3 LYS 24 - HD3 LYS 20 far 0 56 0 - 9.0-11.2 HB2 ARG 46 - HD2 LYS 73 far 0 59 0 - 9.0-14.8 HB3 LYS 24 - HD2 LYS 20 far 0 62 0 - 9.1-11.3 HB3 LYS 20 - HD3 LYS 13 far 0 78 0 - 9.1-12.9 HB3 LYS 20 - HD2 LYS 13 far 0 79 0 - 9.2-14.4 HB3 ARG 19 - HD2 LYS 13 far 0 70 0 - 9.2-12.9 HB3 MET 74 - HD2 LYS 47 far 0 52 0 - 9.7-13.9 HB3 ARG 46 - HD2 LYS 73 far 0 63 0 - 9.9-14.7 HB3 MET 74 - HD3 LYS 47 far 0 53 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 1110 from cnoeabs.peaks (1.59, 1.70, 28.90 ppm; 2.55 A increased from 2.40 A): 6 out of 47 assignments used, quality = 0.97: HG2 LYS 24 + HD3 LYS 24 OK 56 100 60 93 2.3-3.0 3.0=65, 1091/1.8=9...(51) HG3 LYS 12 + HD2 LYS 12 OK 51 90 60 95 2.3-3.0 3.0=63, 464/3.0=25...(41) HG3 LYS 73 + HD2 LYS 73 OK 46 59 85 93 2.2-3.0 3.0=65, 3278/1.8=11...(72) * HG2 LYS 24 + HD2 LYS 24 OK 41 100 45 92 2.3-3.0 3.0=65, 1091/1.8=9...(48) HG3 LYS 12 + HD3 LYS 12 OK 39 90 45 96 2.5-3.0 3.0=63, 464/3.0=25...(41) HG3 LYS 47 + HD2 LYS 47 OK 26 27 100 95 2.4-2.7 3.0=63, 1.8/2164=6...(71) HG2 LYS 33 - HD2 LYS 33 poor 19 21 100 92 2.3-2.6 3.0=64, 1.8/2926=11...(41) HG3 LYS 47 - HD3 LYS 47 poor 8 28 30 - 2.4-3.0 HG2 LYS 33 - HD3 LYS 33 far 2 21 10 - 2.7-3.0 HG2 ARG 19 - HD3 LYS 20 far 0 56 0 - 4.4-9.2 HD3 LYS 94 - HB3 ARG 91 far 0 51 0 - 4.7-8.2 HG3 LYS 90 - HD3 LYS 20 far 0 56 0 - 5.0-8.2 HD2 LYS 94 - HD3 LYS 24 far 0 61 0 - 5.0-11.0 HG2 ARG 19 - HD2 LYS 20 far 0 62 0 - 5.2-8.4 HD2 LYS 94 - HB3 ARG 91 far 0 27 0 - 5.5-9.1 HG2 ARG 19 - HD3 LYS 12 far 0 92 0 - 5.6-11.5 HG3 LYS 90 - HD2 LYS 20 far 0 62 0 - 5.8-8.1 HD2 LYS 94 - HD2 LYS 24 far 0 61 0 - 6.0-11.2 HD3 LYS 94 - HD3 LYS 24 far 0 98 0 - 6.0-12.8 HG3 LYS 90 - HD3 LYS 24 far 0 100 0 - 6.2-9.4 HG2 ARG 19 - HD2 LYS 12 far 0 92 0 - 6.7-10.0 HG3 LYS 90 - HD2 LYS 24 far 0 100 0 - 6.7-10.1 HG3 LYS 12 - HD2 LYS 13 far 0 99 0 - 7.0-9.4 HG3 LYS 12 - HD3 LYS 13 far 0 98 0 - 7.0-9.7 HD3 LYS 94 - HD2 LYS 24 far 0 98 0 - 7.1-12.9 HD2 LYS 66 - HD2 LYS 73 far 0 57 0 - 7.2-11.6 HG3 LYS 90 - HB3 ARG 91 far 0 55 0 - 7.2-7.5 HG2 LYS 24 - HD3 LYS 20 far 0 56 0 - 7.2-12.3 HB3 LEU 29 - HD3 LYS 20 far 0 54 0 - 7.9-11.2 HG2 LYS 24 - HD2 LYS 20 far 0 62 0 - 8.1-11.6 HG3 LYS 12 - HD3 LYS 33 far 0 42 0 - 8.2-10.2 HG LEU 27 - HD2 LYS 24 far 0 98 0 - 8.8-11.0 HG2 ARG 19 - HD3 LYS 13 far 0 99 0 - 8.8-14.6 HG2 LYS 33 - HD2 LYS 12 far 0 51 0 - 8.8-11.8 HG LEU 27 - HD3 LYS 24 far 0 98 0 - 8.8-11.1 HG3 LYS 12 - HD2 LYS 33 far 0 42 0 - 8.9-10.8 HB3 LEU 29 - HD2 LYS 20 far 0 59 0 - 9.1-10.9 HB3 LEU 29 - HD2 LYS 24 far 0 99 0 - 9.1-11.9 HG2 LYS 33 - HD3 LYS 12 far 0 51 0 - 9.4-11.5 HG2 ARG 19 - HD2 LYS 13 far 0 99 0 - 9.5-15.1 HB3 LEU 29 - HD3 LYS 24 far 0 99 0 - 9.6-12.9 HG3 LYS 90 - HD2 LYS 13 far 0 99 0 - 9.6-13.1 HG2 ARG 19 - HD2 LYS 24 far 0 100 0 - 9.7-13.2 HG2 ARG 19 - HD3 LYS 24 far 0 100 0 - 9.7-14.3 HB2 ARG 30 - HD2 LYS 33 far 0 38 0 - 9.8-11.0 HG3 LYS 12 - HD2 LYS 20 far 0 60 0 - 9.8-11.8 HG3 LYS 90 - HD3 LYS 13 far 0 99 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 1111 from cnoeabs.peaks (1.51, 1.70, 28.90 ppm; 2.46 A): 9 out of 29 assignments used, quality = 1.00: HG3 LYS 13 + HD3 LYS 13 OK 60 96 70 89 2.3-3.0 3.0=58, 1.8/524=10...(32) * HG3 LYS 24 + HD2 LYS 24 OK 58 100 65 90 2.3-3.0 3.0=58, 1096/4.9=12...(39) HG3 LYS 13 + HD2 LYS 13 OK 57 97 65 90 2.3-3.0 3.0=58, 1.8/524=10...(32) HG3 LYS 24 + HD3 LYS 24 OK 54 100 60 90 2.3-3.0 3.0=58, 1096/4.9=12...(46) 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 92 2.3-2.6 3.0=57, 12088/12090=8...(62) HG2 LYS 73 + HD2 LYS 73 OK 35 56 70 89 2.3-3.0 3.0=58, 1.8/2175=8...(57) HG3 LYS 33 + HD3 LYS 33 OK 35 43 90 89 2.3-3.0 3.0=58, 1418/1420=13...(35) HG2 LYS 47 + HD2 LYS 47 OK 23 45 55 92 2.3-3.0 3.0=57, 1.8/2175=12...(63) HG3 LYS 33 - HD2 LYS 33 far 4 43 10 - 2.7-3.0 HG3 LYS 13 - HD3 LYS 12 far 0 88 0 - 5.8-7.4 HB2 LEU 14 - HD2 LYS 13 far 0 96 0 - 6.2-8.2 HB2 LEU 14 - HD3 LYS 13 far 0 95 0 - 6.4-8.4 HG3 LYS 13 - HD2 LYS 12 far 0 88 0 - 6.5-8.1 HG3 LYS 24 - HD3 LYS 20 far 0 56 0 - 7.0-12.0 HG3 LYS 24 - HD2 LYS 20 far 0 62 0 - 7.5-11.1 HG3 LYS 33 - HD2 LYS 12 far 0 91 0 - 7.6-10.8 HG LEU 57 - HB3 ARG 91 far 0 53 0 - 8.0-8.4 HG3 LYS 33 - HD3 LYS 12 far 0 91 0 - 8.1-10.5 HB2 LEU 14 - HD2 LYS 12 far 0 86 0 - 8.1-10.7 HB2 LEU 14 - HD3 LYS 12 far 0 86 0 - 8.2-9.7 HG3 LYS 13 - HD2 LYS 20 far 0 58 0 - 8.6-10.1 HG3 LYS 13 - HD3 LYS 20 far 0 53 0 - 8.7-11.5 HG2 LYS 66 - HD2 LYS 73 far 0 55 0 - 9.4-12.9 HB2 LEU 14 - HD2 LYS 20 far 0 56 0 - 9.4-11.0 HG3 LYS 66 - HD2 LYS 73 far 0 57 0 - 9.6-12.5 HB2 LEU 14 - HD3 LYS 20 far 0 51 0 - 9.7-12.0 HB ILE 7 - HD3 LYS 12 far 0 86 0 - 9.9-12.6 HB ILE 7 - HD3 LYS 20 far 0 51 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 1112 from cnoeabs.peaks (1.70, 1.70, 28.90 ppm; diagonal): 14 out of 14 assignments used, quality = 1.00: * HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 99 99 - 100 HD3 LYS 13 + HD3 LYS 13 OK 98 98 - 100 HD2 LYS 12 + HD2 LYS 12 OK 91 91 - 100 HD3 LYS 12 + HD3 LYS 12 OK 91 91 - 100 HD2 LYS 20 + HD2 LYS 20 OK 53 53 - 100 HB3 ARG 91 + HB3 ARG 91 OK 51 51 - 100 HD3 LYS 47 + HD3 LYS 47 OK 48 48 - 100 HD2 LYS 47 + HD2 LYS 47 OK 46 46 - 100 HD3 LYS 20 + HD3 LYS 20 OK 46 46 - 100 HD2 LYS 73 + HD2 LYS 73 OK 44 44 - 100 HD2 LYS 33 + HD2 LYS 33 OK 29 29 - 100 HD3 LYS 33 + HD3 LYS 33 OK 29 29 - 100 Peak 1113 from cnoeabs.peaks (1.70, 1.70, 28.90 ppm; diagonal): 14 out of 14 assignments used, quality = 1.00: HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 99 99 - 100 HD3 LYS 13 + HD3 LYS 13 OK 98 98 - 100 HD2 LYS 12 + HD2 LYS 12 OK 91 91 - 100 HD3 LYS 12 + HD3 LYS 12 OK 91 91 - 100 HD2 LYS 20 + HD2 LYS 20 OK 52 52 - 100 HB3 ARG 91 + HB3 ARG 91 OK 50 50 - 100 HD3 LYS 47 + HD3 LYS 47 OK 48 48 - 100 HD2 LYS 47 + HD2 LYS 47 OK 46 46 - 100 HD3 LYS 20 + HD3 LYS 20 OK 45 45 - 100 HD2 LYS 73 + HD2 LYS 73 OK 42 42 - 100 HD2 LYS 33 + HD2 LYS 33 OK 30 30 - 100 HD3 LYS 33 + HD3 LYS 33 OK 30 30 - 100 Reference assignment not found: HD3 LYS 24 - HD2 LYS 24 Peak 1114 from cnoeabs.peaks (2.96, 1.70, 28.90 ppm; 2.88 A): 16 out of 64 assignments used, quality = 1.00: HE2 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.3-3.0 3.0=92, 1132/3.0=9...(75) HE3 LYS 24 + HD2 LYS 24 OK 99 100 100 99 2.3-3.0 3.0=92, 475/3.0=8...(75) HE3 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.4-3.0 3.0=92, 475/3.0=8...(75) * HE2 LYS 24 + HD2 LYS 24 OK 99 100 100 99 2.4-3.0 3.0=92, 1143/3.0=9...(75) HE3 LYS 13 + HD2 LYS 13 OK 98 99 100 99 2.3-3.0 2.9=94, 474/3.0=13...(64) HE2 LYS 13 + HD2 LYS 13 OK 98 99 100 99 2.5-3.0 2.9=94, 474/3.0=12...(64) HE2 LYS 13 + HD3 LYS 13 OK 98 99 100 99 2.3-3.0 2.9=94, 474/3.0=12...(64) HE3 LYS 13 + HD3 LYS 13 OK 98 99 100 99 2.5-3.0 2.9=94, 474/3.0=13...(64) HE3 LYS 12 + HD3 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=91, ~463=19, ~464=19...(38) HE3 LYS 12 + HD2 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=91, ~463=19, ~464=19...(38) HE2 LYS 73 + HD2 LYS 73 OK 58 59 100 98 2.5-3.0 3.0=90, 3322/1.8=6...(77) HE3 LYS 73 + HD2 LYS 73 OK 55 56 100 98 2.3-3.0 3.0=90, 4.0/1110=5...(76) HE2 LYS 47 + HD3 LYS 47 OK 49 50 100 99 2.3-3.0 3.0=92, 2155/3.9=10...(87) HE3 LYS 47 + HD3 LYS 47 OK 49 50 100 99 2.3-3.0 3.0=92, 2154/3.9=10...(82) HE3 LYS 47 + HD2 LYS 47 OK 48 48 100 99 2.3-3.0 3.0=92, 2154/3.9=10...(82) HE2 LYS 47 + HD2 LYS 47 OK 48 48 100 99 2.3-3.0 3.0=92, 2154/3.9=10...(87) HB3 ASP 11 - HD2 LYS 13 far 0 72 0 - 4.4-7.2 HE3 LYS 90 - HD3 LYS 20 far 0 41 0 - 4.4-8.4 HG2 MET 21 - HD3 LYS 24 far 0 89 0 - 5.1-8.0 HG2 MET 21 - HD2 LYS 24 far 0 90 0 - 5.5-8.4 HE3 LYS 90 - HD2 LYS 20 far 0 45 0 - 5.6-8.5 HB3 ASP 11 - HD3 LYS 12 far 0 62 0 - 5.6-8.1 HB3 ASP 11 - HD3 LYS 13 far 0 70 0 - 5.6-7.5 HB3 ASP 11 - HD2 LYS 12 far 0 62 0 - 5.6-8.7 HE3 LYS 24 - HD3 LYS 20 far 0 56 0 - 5.8-12.5 HE3 LYS 12 - HD3 LYS 33 far 0 43 0 - 5.8-9.2 HB2 ASN 10 - HD2 LYS 12 far 0 58 0 - 5.9-11.0 HG2 MET 21 - HD3 LYS 20 far 0 45 0 - 6.0-9.1 HE2 LYS 24 - HD3 LYS 20 far 0 56 0 - 6.1-12.3 HB2 SER 9 - HD2 LYS 12 far 0 67 0 - 6.1-11.1 HB2 SER 9 - HD3 LYS 12 far 0 67 0 - 6.2-9.5 HB2 ASN 10 - HD3 LYS 12 far 0 58 0 - 6.4-10.1 HE3 LYS 13 - HD3 LYS 12 far 0 91 0 - 6.5-10.7 HE2 LYS 13 - HD2 LYS 20 far 0 62 0 - 6.5-12.1 HG2 MET 21 - HB3 ARG 91 far 0 44 0 - 6.9-7.5 HE3 LYS 24 - HD2 LYS 20 far 0 62 0 - 6.9-12.0 HE3 LYS 12 - HD2 LYS 33 far 0 43 0 - 6.9-10.5 HG2 MET 21 - HD2 LYS 20 far 0 49 0 - 6.9-9.4 HE3 LYS 90 - HD2 LYS 24 far 0 84 0 - 7.1-11.6 HE3 LYS 13 - HD2 LYS 12 far 0 91 0 - 7.1-11.2 HB2 PHE 45 - HD3 LYS 47 far 0 43 0 - 7.2-8.6 HE2 LYS 13 - HD2 LYS 12 far 0 92 0 - 7.2-12.0 HE3 LYS 90 - HD3 LYS 24 far 0 84 0 - 7.3-10.7 HE3 LYS 12 - HD3 LYS 13 far 0 99 0 - 7.3-11.8 HB3 PHE 45 - HD3 LYS 47 far 0 52 0 - 7.3-9.1 HE3 LYS 90 - HB3 ARG 91 far 0 40 0 - 7.4-8.9 HE2 LYS 13 - HD3 LYS 12 far 0 92 0 - 7.5-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 62 0 - 7.5-11.7 HE2 LYS 13 - HD3 LYS 20 far 0 56 0 - 7.5-13.3 HB2 ASN 10 - HD3 LYS 33 far 0 24 0 - 7.5-8.6 HE3 LYS 13 - HD2 LYS 20 far 0 61 0 - 7.5-11.8 HE3 LYS 13 - HD3 LYS 20 far 0 56 0 - 7.6-13.1 HE3 LYS 12 - HD2 LYS 13 far 0 99 0 - 7.7-11.9 HE3 LYS 90 - HD2 LYS 13 far 0 82 0 - 7.7-13.0 HB2 PHE 45 - HD2 LYS 47 far 0 42 0 - 7.8-9.3 HB2 SER 9 - HD3 LYS 33 far 0 29 0 - 8.0-10.0 HE3 LYS 90 - HD3 LYS 13 far 0 81 0 - 8.0-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 61 0 - 8.1-13.3 HB3 PHE 45 - HD2 LYS 47 far 0 51 0 - 8.2-9.6 HE3 LYS 12 - HD3 LYS 20 far 0 56 0 - 8.2-14.3 HB2 ASN 10 - HD2 LYS 33 far 0 24 0 - 8.6-9.8 HB2 SER 9 - HD2 LYS 33 far 0 29 0 - 9.3-10.8 HB2 SER 9 - HD2 LYS 13 far 0 77 0 - 9.5-12.2 HB2 ASN 10 - HD2 LYS 13 far 0 68 0 - 10.0-12.7 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 64 assignments used, quality = 1.00: HE2 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.3-3.0 3.0=92, 1132/3.0=9...(75) * HE3 LYS 24 + HD2 LYS 24 OK 99 100 100 99 2.3-3.0 3.0=92, 475/3.0=8...(75) HE3 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.4-3.0 3.0=92, 475/3.0=8...(75) HE2 LYS 24 + HD2 LYS 24 OK 99 100 100 99 2.4-3.0 3.0=92, 1143/3.0=9...(75) HE3 LYS 13 + HD2 LYS 13 OK 98 99 100 99 2.3-3.0 2.9=94, 474/3.0=13...(64) HE2 LYS 13 + HD2 LYS 13 OK 98 99 100 99 2.5-3.0 2.9=94, 474/3.0=12...(64) HE2 LYS 13 + HD3 LYS 13 OK 98 99 100 99 2.3-3.0 2.9=94, 474/3.0=12...(64) HE3 LYS 13 + HD3 LYS 13 OK 98 99 100 99 2.5-3.0 2.9=94, 474/3.0=13...(64) HE3 LYS 12 + HD3 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=91, ~463=19, ~464=19...(38) HE3 LYS 12 + HD2 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=91, ~463=19, ~464=19...(38) HE2 LYS 73 + HD2 LYS 73 OK 58 59 100 98 2.5-3.0 3.0=90, 3322/1.8=6...(77) HE3 LYS 73 + HD2 LYS 73 OK 55 56 100 98 2.3-3.0 3.0=90, 4.0/1110=5...(76) HE2 LYS 47 + HD3 LYS 47 OK 49 50 100 99 2.3-3.0 3.0=92, 2155/3.9=10...(87) HE3 LYS 47 + HD3 LYS 47 OK 49 50 100 99 2.3-3.0 3.0=92, 2154/3.9=10...(82) HE3 LYS 47 + HD2 LYS 47 OK 48 48 100 99 2.3-3.0 3.0=92, 2154/3.9=10...(82) HE2 LYS 47 + HD2 LYS 47 OK 48 48 100 99 2.3-3.0 3.0=92, 2154/3.9=10...(87) HB3 ASP 11 - HD2 LYS 13 far 0 72 0 - 4.4-7.2 HE3 LYS 90 - HD3 LYS 20 far 0 41 0 - 4.4-8.4 HG2 MET 21 - HD3 LYS 24 far 0 89 0 - 5.1-8.0 HG2 MET 21 - HD2 LYS 24 far 0 90 0 - 5.5-8.4 HE3 LYS 90 - HD2 LYS 20 far 0 45 0 - 5.6-8.5 HB3 ASP 11 - HD3 LYS 12 far 0 62 0 - 5.6-8.1 HB3 ASP 11 - HD3 LYS 13 far 0 70 0 - 5.6-7.5 HB3 ASP 11 - HD2 LYS 12 far 0 62 0 - 5.6-8.7 HE3 LYS 24 - HD3 LYS 20 far 0 56 0 - 5.8-12.5 HE3 LYS 12 - HD3 LYS 33 far 0 43 0 - 5.8-9.2 HB2 ASN 10 - HD2 LYS 12 far 0 58 0 - 5.9-11.0 HG2 MET 21 - HD3 LYS 20 far 0 45 0 - 6.0-9.1 HE2 LYS 24 - HD3 LYS 20 far 0 56 0 - 6.1-12.3 HB2 SER 9 - HD2 LYS 12 far 0 67 0 - 6.1-11.1 HB2 SER 9 - HD3 LYS 12 far 0 67 0 - 6.2-9.5 HB2 ASN 10 - HD3 LYS 12 far 0 58 0 - 6.4-10.1 HE3 LYS 13 - HD3 LYS 12 far 0 91 0 - 6.5-10.7 HE2 LYS 13 - HD2 LYS 20 far 0 62 0 - 6.5-12.1 HG2 MET 21 - HB3 ARG 91 far 0 44 0 - 6.9-7.5 HE3 LYS 24 - HD2 LYS 20 far 0 62 0 - 6.9-12.0 HE3 LYS 12 - HD2 LYS 33 far 0 43 0 - 6.9-10.5 HG2 MET 21 - HD2 LYS 20 far 0 49 0 - 6.9-9.4 HE3 LYS 90 - HD2 LYS 24 far 0 84 0 - 7.1-11.6 HE3 LYS 13 - HD2 LYS 12 far 0 91 0 - 7.1-11.2 HB2 PHE 45 - HD3 LYS 47 far 0 43 0 - 7.2-8.6 HE2 LYS 13 - HD2 LYS 12 far 0 92 0 - 7.2-12.0 HE3 LYS 90 - HD3 LYS 24 far 0 84 0 - 7.3-10.7 HE3 LYS 12 - HD3 LYS 13 far 0 99 0 - 7.3-11.8 HB3 PHE 45 - HD3 LYS 47 far 0 52 0 - 7.3-9.1 HE3 LYS 90 - HB3 ARG 91 far 0 40 0 - 7.4-8.9 HE2 LYS 13 - HD3 LYS 12 far 0 92 0 - 7.5-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 62 0 - 7.5-11.7 HE2 LYS 13 - HD3 LYS 20 far 0 56 0 - 7.5-13.3 HB2 ASN 10 - HD3 LYS 33 far 0 24 0 - 7.5-8.6 HE3 LYS 13 - HD2 LYS 20 far 0 61 0 - 7.5-11.8 HE3 LYS 13 - HD3 LYS 20 far 0 56 0 - 7.6-13.1 HE3 LYS 12 - HD2 LYS 13 far 0 99 0 - 7.7-11.9 HE3 LYS 90 - HD2 LYS 13 far 0 82 0 - 7.7-13.0 HB2 PHE 45 - HD2 LYS 47 far 0 42 0 - 7.8-9.3 HB2 SER 9 - HD3 LYS 33 far 0 29 0 - 8.0-10.0 HE3 LYS 90 - HD3 LYS 13 far 0 81 0 - 8.0-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 61 0 - 8.1-13.3 HB3 PHE 45 - HD2 LYS 47 far 0 51 0 - 8.2-9.6 HE3 LYS 12 - HD3 LYS 20 far 0 56 0 - 8.2-14.3 HB2 ASN 10 - HD2 LYS 33 far 0 24 0 - 8.6-9.8 HB2 SER 9 - HD2 LYS 33 far 0 29 0 - 9.3-10.8 HB2 SER 9 - HD2 LYS 13 far 0 77 0 - 9.5-12.2 HB2 ASN 10 - HD2 LYS 13 far 0 68 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 1116 from cnoeabs.peaks (7.71, 1.70, 28.90 ppm; 5.80 A increased from 4.88 A): 7 out of 13 assignments used, quality = 1.00: * H ALA 25 + HD2 LYS 24 OK 90 100 90 100 4.6-6.5 6402/3.0=80, 6400/3.6=72...(8) H ALA 25 + HD3 LYS 24 OK 75 100 75 100 5.0-6.7 6402/3.0=80, 6399/3.6=72...(8) H MET 21 + HD2 LYS 24 OK 56 84 75 89 4.2-6.8 3.0/11063=59, ~8564=29...(7) H MET 21 + HD2 LYS 20 OK 43 45 95 100 4.2-6.2 6325/3.5=75, 6324/3.5=72...(10) H MET 21 + HD3 LYS 20 OK 41 41 100 100 3.8-5.9 6325/3.5=75, 6324/3.5=72...(10) H MET 21 + HD3 LYS 24 OK 26 84 35 89 4.5-8.1 ~11063=47, ~8564=40...(7) H MET 74 + HD2 LYS 73 OK 24 34 75 93 3.8-6.7 7220/3.0=47, 7219/3.0=46...(9) H SER 49 - HD2 LYS 47 far 7 46 15 - 5.5-8.7 H SER 49 - HD3 LYS 47 far 0 48 0 - 7.1-9.1 H GLU 37 - HD2 LYS 33 far 0 27 0 - 8.0-8.9 H GLU 37 - HD3 LYS 33 far 0 27 0 - 8.6-9.4 H SER 85 - HB3 ARG 91 far 0 44 0 - 8.6-9.2 H ALA 25 - HD3 LYS 20 far 0 56 0 - 9.0-11.5 Violated in 0 structures by 0.00 A. Peak 1117 from cnoeabs.peaks (7.57, 1.70, 28.90 ppm; 5.02 A increased from 4.46 A): 5 out of 18 assignments used, quality = 1.00: H LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.4-5.1 1061/3.6=90, 6386/3.0=82...(21) * H LYS 24 + HD3 LYS 24 OK 85 100 85 100 3.1-5.8 1061/3.6=90, 6386/3.0=82...(23) H LEU 14 + HD2 LYS 13 OK 48 90 55 98 5.0-6.3 6191/3.0=59, 6182/6.0=45...(10) H GLU 88 + HB3 ARG 91 OK 40 53 75 99 5.1-5.5 3.0/3871=64, ~4024=59...(16) H LEU 14 + HD3 LYS 13 OK 22 89 25 98 5.1-6.3 6191/3.0=59, 6182/6.0=45...(10) H GLU 44 - HD2 LYS 47 poor 14 34 40 - 5.0-7.2 HD22 ASN 10 - HD3 LYS 33 far 4 28 15 - 4.7-8.5 H GLU 44 - HD3 LYS 47 far 4 35 10 - 5.3-6.2 HD22 ASN 10 - HD2 LYS 12 far 0 62 0 - 5.9-12.7 H LEU 14 - HD3 LYS 12 far 0 79 0 - 6.0-7.1 H LEU 14 - HD2 LYS 12 far 0 79 0 - 6.1-8.2 HD22 ASN 10 - HD3 LYS 12 far 0 62 0 - 6.2-11.6 HD22 ASN 10 - HD2 LYS 33 far 0 28 0 - 6.3-9.8 H LYS 24 - HD3 LYS 20 far 0 54 0 - 6.7-9.4 H ILE 76 - HD2 LYS 73 far 0 56 0 - 7.5-10.1 H LYS 24 - HD2 LYS 20 far 0 60 0 - 8.3-9.5 H LEU 14 - HD2 LYS 20 far 0 49 0 - 8.3-9.7 H LEU 14 - HD3 LYS 20 far 0 44 0 - 8.7-10.7 Violated in 0 structures by 0.00 A. Peak 1118 from cnoeabs.peaks (4.10, 1.70, 28.90 ppm; 4.50 A increased from 3.60 A): 2 out of 11 assignments used, quality = 1.00: HA LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.0-4.6 1096/3.0=81, 4.9=75...(72) * HA LYS 24 + HD3 LYS 24 OK 95 100 95 100 3.6-5.0 1096/3.0=81, 4.9=75...(75) HA ARG 46 - HD2 LYS 47 far 0 35 0 - 5.2-8.0 HA ARG 46 - HD3 LYS 47 far 0 36 0 - 6.2-7.9 HA LYS 66 - HD2 LYS 73 far 0 47 0 - 7.3-9.9 HA PRO 86 - HB3 ARG 91 far 0 51 0 - 7.9-8.3 HA PRO 86 - HD2 LYS 13 far 0 98 0 - 8.0-10.5 HA PRO 86 - HD2 LYS 20 far 0 57 0 - 8.2-10.4 HA PRO 86 - HD3 LYS 20 far 0 51 0 - 8.2-11.0 HA PRO 86 - HD3 LYS 13 far 0 97 0 - 8.2-10.5 HA LYS 24 - HD3 LYS 20 far 0 54 0 - 8.8-11.3 Violated in 0 structures by 0.00 A. Peak 1119 from cnoeabs.peaks (1.96, 1.70, 28.90 ppm; 3.01 A increased from 2.83 A): 9 out of 56 assignments used, quality = 1.00: HB2 LYS 24 + HD2 LYS 24 OK 84 100 85 99 2.1-3.7 3.6=60, 1072/11063=17...(95) HB3 LYS 24 + HD2 LYS 24 OK 64 100 65 98 2.3-3.9 3.6=60, 3.0/1118=14...(92) * HB2 LYS 24 + HD3 LYS 24 OK 59 100 60 99 2.1-4.2 3.6=60, 3.0/1118=13...(97) HB3 LYS 24 + HD3 LYS 24 OK 59 100 60 99 2.2-4.1 3.6=60, 3.0/1118=13...(94) HB2 LYS 47 + HD3 LYS 47 OK 33 51 65 99 2.7-3.7 3.9=44, 1.8/2153=14...(94) HB3 LYS 73 + HD2 LYS 73 OK 26 59 45 98 2.1-3.5 3.6=59, 3244/1.8=11...(101) HB3 LYS 20 + HD3 LYS 20 OK 25 37 70 94 2.0-3.9 3.5=62, ~848=14, ~883=13...(42) HB2 LYS 47 + HD2 LYS 47 OK 22 50 45 99 2.2-3.8 3.9=44, 3.0/2175=12...(100) HB3 LYS 20 + HD2 LYS 20 OK 22 41 55 96 2.4-4.2 3.5=62, ~848=14, ~883=13...(48) HB3 LYS 47 - HD3 LYS 47 poor 18 25 70 - 2.4-4.2 HB2 LYS 73 - HD2 LYS 73 poor 15 59 25 - 3.0-4.2 HB3 LYS 47 - HD2 LYS 47 poor 5 25 20 - 2.7-3.7 HB3 ARG 19 - HD3 LYS 20 far 3 32 10 - 2.5-6.4 HB3 ARG 46 - HD2 LYS 47 far 0 50 0 - 3.5-7.4 HB3 LYS 20 - HD3 LYS 24 far 0 81 0 - 3.5-9.0 HB3 ARG 19 - HD2 LYS 20 far 0 36 0 - 3.5-5.5 HB3 ARG 46 - HD3 LYS 47 far 0 51 0 - 3.9-7.2 HB3 GLU 44 - HD2 LYS 47 far 0 25 0 - 3.9-7.1 HB2 ARG 46 - HD2 LYS 47 far 0 47 0 - 3.9-7.8 HB2 GLU 17 - HD3 LYS 20 far 0 44 0 - 3.9-7.4 HB3 GLU 44 - HD3 LYS 47 far 0 25 0 - 4.1-5.9 QE MET 74 - HD2 LYS 73 far 0 29 0 - 4.2-8.4 HB3 LYS 20 - HD2 LYS 24 far 0 81 0 - 4.4-7.6 HB3 MET 74 - HD2 LYS 73 far 0 60 0 - 4.4-8.7 HB2 GLU 17 - HD2 LYS 20 far 0 49 0 - 4.6-7.1 HB2 ARG 46 - HD3 LYS 47 far 0 48 0 - 4.7-8.1 HB2 GLU 44 - HD3 LYS 47 far 0 25 0 - 4.8-6.7 HB2 GLU 44 - HD2 LYS 47 far 0 25 0 - 4.9-7.6 HG3 GLU 88 - HB3 ARG 91 far 0 45 0 - 6.1-6.8 HB2 GLU 37 - HD2 LYS 33 far 0 41 0 - 6.9-7.5 HB3 ARG 19 - HD3 LYS 12 far 0 61 0 - 7.0-11.6 HB2 GLU 17 - HD2 LYS 13 far 0 90 0 - 7.0-10.2 HB2 GLU 17 - HD3 LYS 13 far 0 89 0 - 7.2-10.2 HB2 GLU 37 - HD3 LYS 33 far 0 41 0 - 7.3-7.9 HB2 LYS 24 - HD3 LYS 20 far 0 54 0 - 7.3-9.9 QE MET 74 - HD3 LYS 47 far 0 24 0 - 7.4-9.6 HB VAL 32 - HD3 LYS 33 far 0 36 0 - 7.6-8.2 QE MET 74 - HD2 LYS 47 far 0 24 0 - 7.7-10.3 HB3 ARG 19 - HD2 LYS 12 far 0 61 0 - 7.7-10.7 HB3 ARG 19 - HD3 LYS 24 far 0 71 0 - 8.0-12.6 HB VAL 32 - HD2 LYS 33 far 0 36 0 - 8.0-8.5 HB2 LYS 24 - HD2 LYS 20 far 0 60 0 - 8.1-9.8 HB3 ARG 19 - HD2 LYS 24 far 0 71 0 - 8.1-11.4 HB2 GLU 17 - HD3 LYS 24 far 0 91 0 - 8.5-11.6 HB2 GLU 17 - HB3 ARG 91 far 0 43 0 - 8.7-9.5 HB2 GLU 17 - HD2 LYS 24 far 0 91 0 - 8.8-11.8 HB3 ARG 19 - HD3 LYS 13 far 0 69 0 - 8.9-12.8 HB3 LYS 24 - HD3 LYS 20 far 0 54 0 - 9.0-11.2 HB2 ARG 46 - HD2 LYS 73 far 0 56 0 - 9.0-14.8 HB3 LYS 24 - HD2 LYS 20 far 0 60 0 - 9.1-11.3 HB3 LYS 20 - HD3 LYS 13 far 0 78 0 - 9.1-12.9 HB3 LYS 20 - HD2 LYS 13 far 0 79 0 - 9.2-14.4 HB3 ARG 19 - HD2 LYS 13 far 0 70 0 - 9.2-12.9 HB3 MET 74 - HD2 LYS 47 far 0 50 0 - 9.7-13.9 HB3 ARG 46 - HD2 LYS 73 far 0 60 0 - 9.9-14.7 HB3 MET 74 - HD3 LYS 47 far 0 52 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 1120 from cnoeabs.peaks (1.96, 1.70, 28.90 ppm; 3.01 A increased from 2.83 A): 9 out of 56 assignments used, quality = 1.00: HB2 LYS 24 + HD2 LYS 24 OK 84 100 85 99 2.1-3.7 3.6=60, 1072/11063=17...(95) HB3 LYS 24 + HD2 LYS 24 OK 64 100 65 98 2.3-3.9 3.6=60, 3.0/1118=14...(92) HB2 LYS 24 + HD3 LYS 24 OK 59 100 60 99 2.1-4.2 3.6=60, 3.0/1118=13...(97) * HB3 LYS 24 + HD3 LYS 24 OK 59 100 60 99 2.2-4.1 3.6=60, 3.0/1118=13...(94) HB2 LYS 47 + HD3 LYS 47 OK 33 51 65 99 2.7-3.7 3.9=44, 1.8/2153=14...(94) HB3 LYS 73 + HD2 LYS 73 OK 26 59 45 98 2.1-3.5 3.6=59, 3244/1.8=11...(101) HB3 LYS 20 + HD3 LYS 20 OK 25 37 70 94 2.0-3.9 3.5=62, ~848=14, ~883=13...(42) HB2 LYS 47 + HD2 LYS 47 OK 22 50 45 99 2.2-3.8 3.9=44, 3.0/2175=12...(100) HB3 LYS 20 + HD2 LYS 20 OK 22 41 55 96 2.4-4.2 3.5=62, ~848=14, ~883=13...(48) HB3 LYS 47 - HD3 LYS 47 poor 18 25 70 - 2.4-4.2 HB2 LYS 73 - HD2 LYS 73 poor 15 59 25 - 3.0-4.2 HB3 LYS 47 - HD2 LYS 47 poor 5 25 20 - 2.7-3.7 HB3 ARG 19 - HD3 LYS 20 far 3 32 10 - 2.5-6.4 HB3 ARG 46 - HD2 LYS 47 far 0 50 0 - 3.5-7.4 HB3 LYS 20 - HD3 LYS 24 far 0 81 0 - 3.5-9.0 HB3 ARG 19 - HD2 LYS 20 far 0 36 0 - 3.5-5.5 HB3 ARG 46 - HD3 LYS 47 far 0 51 0 - 3.9-7.2 HB3 GLU 44 - HD2 LYS 47 far 0 25 0 - 3.9-7.1 HB2 ARG 46 - HD2 LYS 47 far 0 47 0 - 3.9-7.8 HB2 GLU 17 - HD3 LYS 20 far 0 44 0 - 3.9-7.4 HB3 GLU 44 - HD3 LYS 47 far 0 25 0 - 4.1-5.9 QE MET 74 - HD2 LYS 73 far 0 29 0 - 4.2-8.4 HB3 LYS 20 - HD2 LYS 24 far 0 81 0 - 4.4-7.6 HB3 MET 74 - HD2 LYS 73 far 0 60 0 - 4.4-8.7 HB2 GLU 17 - HD2 LYS 20 far 0 49 0 - 4.6-7.1 HB2 ARG 46 - HD3 LYS 47 far 0 48 0 - 4.7-8.1 HB2 GLU 44 - HD3 LYS 47 far 0 25 0 - 4.8-6.7 HB2 GLU 44 - HD2 LYS 47 far 0 25 0 - 4.9-7.6 HG3 GLU 88 - HB3 ARG 91 far 0 45 0 - 6.1-6.8 HB2 GLU 37 - HD2 LYS 33 far 0 41 0 - 6.9-7.5 HB3 ARG 19 - HD3 LYS 12 far 0 61 0 - 7.0-11.6 HB2 GLU 17 - HD2 LYS 13 far 0 90 0 - 7.0-10.2 HB2 GLU 17 - HD3 LYS 13 far 0 89 0 - 7.2-10.2 HB2 GLU 37 - HD3 LYS 33 far 0 41 0 - 7.3-7.9 HB2 LYS 24 - HD3 LYS 20 far 0 54 0 - 7.3-9.9 QE MET 74 - HD3 LYS 47 far 0 24 0 - 7.4-9.6 HB VAL 32 - HD3 LYS 33 far 0 36 0 - 7.6-8.2 QE MET 74 - HD2 LYS 47 far 0 24 0 - 7.7-10.3 HB3 ARG 19 - HD2 LYS 12 far 0 61 0 - 7.7-10.7 HB3 ARG 19 - HD3 LYS 24 far 0 71 0 - 8.0-12.6 HB VAL 32 - HD2 LYS 33 far 0 36 0 - 8.0-8.5 HB2 LYS 24 - HD2 LYS 20 far 0 60 0 - 8.1-9.8 HB3 ARG 19 - HD2 LYS 24 far 0 71 0 - 8.1-11.4 HB2 GLU 17 - HD3 LYS 24 far 0 91 0 - 8.5-11.6 HB2 GLU 17 - HB3 ARG 91 far 0 43 0 - 8.7-9.5 HB2 GLU 17 - HD2 LYS 24 far 0 91 0 - 8.8-11.8 HB3 ARG 19 - HD3 LYS 13 far 0 69 0 - 8.9-12.8 HB3 LYS 24 - HD3 LYS 20 far 0 54 0 - 9.0-11.2 HB2 ARG 46 - HD2 LYS 73 far 0 56 0 - 9.0-14.8 HB3 LYS 24 - HD2 LYS 20 far 0 60 0 - 9.1-11.3 HB3 LYS 20 - HD3 LYS 13 far 0 78 0 - 9.1-12.9 HB3 LYS 20 - HD2 LYS 13 far 0 79 0 - 9.2-14.4 HB3 ARG 19 - HD2 LYS 13 far 0 70 0 - 9.2-12.9 HB3 MET 74 - HD2 LYS 47 far 0 50 0 - 9.7-13.9 HB3 ARG 46 - HD2 LYS 73 far 0 60 0 - 9.9-14.7 HB3 MET 74 - HD3 LYS 47 far 0 52 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 1121 from cnoeabs.peaks (1.59, 1.70, 28.90 ppm; 2.55 A increased from 2.40 A): 7 out of 47 assignments used, quality = 0.97: * HG2 LYS 24 + HD3 LYS 24 OK 56 100 60 93 2.3-3.0 3.0=65, 1091/1.8=9...(51) HG3 LYS 12 + HD2 LYS 12 OK 52 91 60 95 2.3-3.0 3.0=63, 464/3.0=25...(41) HG3 LYS 73 + HD2 LYS 73 OK 44 56 85 93 2.2-3.0 3.0=65, 3278/1.8=11...(72) HG2 LYS 24 + HD2 LYS 24 OK 41 100 45 92 2.3-3.0 3.0=65, 1091/1.8=9...(48) HG3 LYS 12 + HD3 LYS 12 OK 39 91 45 96 2.5-3.0 3.0=63, 464/3.0=25...(41) HG3 LYS 47 + HD2 LYS 47 OK 25 27 100 95 2.4-2.7 3.0=63, 1.8/2164=6...(71) HG2 LYS 33 + HD2 LYS 33 OK 20 22 100 92 2.3-2.6 3.0=64, 1.8/2926=11...(42) HG3 LYS 47 - HD3 LYS 47 poor 8 27 30 - 2.4-3.0 HG2 LYS 33 - HD3 LYS 33 far 2 22 10 - 2.7-3.0 HG2 ARG 19 - HD3 LYS 20 far 0 54 0 - 4.4-9.2 HD3 LYS 94 - HB3 ARG 91 far 0 50 0 - 4.7-8.2 HG3 LYS 90 - HD3 LYS 20 far 0 54 0 - 5.0-8.2 HD2 LYS 94 - HD3 LYS 24 far 0 61 0 - 5.0-11.0 HG2 ARG 19 - HD2 LYS 20 far 0 60 0 - 5.2-8.4 HD2 LYS 94 - HB3 ARG 91 far 0 26 0 - 5.5-9.1 HG2 ARG 19 - HD3 LYS 12 far 0 92 0 - 5.6-11.5 HG3 LYS 90 - HD2 LYS 20 far 0 60 0 - 5.8-8.1 HD2 LYS 94 - HD2 LYS 24 far 0 61 0 - 6.0-11.2 HD3 LYS 94 - HD3 LYS 24 far 0 98 0 - 6.0-12.8 HG3 LYS 90 - HD3 LYS 24 far 0 100 0 - 6.2-9.4 HG2 ARG 19 - HD2 LYS 12 far 0 92 0 - 6.7-10.0 HG3 LYS 90 - HD2 LYS 24 far 0 100 0 - 6.7-10.1 HG3 LYS 12 - HD2 LYS 13 far 0 99 0 - 7.0-9.4 HG3 LYS 12 - HD3 LYS 13 far 0 98 0 - 7.0-9.7 HD3 LYS 94 - HD2 LYS 24 far 0 98 0 - 7.1-12.9 HD2 LYS 66 - HD2 LYS 73 far 0 54 0 - 7.2-11.6 HG3 LYS 90 - HB3 ARG 91 far 0 53 0 - 7.2-7.5 HG2 LYS 24 - HD3 LYS 20 far 0 54 0 - 7.2-12.3 HB3 LEU 29 - HD3 LYS 20 far 0 52 0 - 7.9-11.2 HG2 LYS 24 - HD2 LYS 20 far 0 60 0 - 8.1-11.6 HG3 LYS 12 - HD3 LYS 33 far 0 44 0 - 8.2-10.2 HG LEU 27 - HD2 LYS 24 far 0 98 0 - 8.8-11.0 HG2 ARG 19 - HD3 LYS 13 far 0 99 0 - 8.8-14.6 HG2 LYS 33 - HD2 LYS 12 far 0 52 0 - 8.8-11.8 HG LEU 27 - HD3 LYS 24 far 0 98 0 - 8.8-11.1 HG3 LYS 12 - HD2 LYS 33 far 0 44 0 - 8.9-10.8 HB3 LEU 29 - HD2 LYS 20 far 0 57 0 - 9.1-10.9 HB3 LEU 29 - HD2 LYS 24 far 0 99 0 - 9.1-11.9 HG2 LYS 33 - HD3 LYS 12 far 0 52 0 - 9.4-11.5 HG2 ARG 19 - HD2 LYS 13 far 0 100 0 - 9.5-15.1 HB3 LEU 29 - HD3 LYS 24 far 0 99 0 - 9.6-12.9 HG3 LYS 90 - HD2 LYS 13 far 0 100 0 - 9.6-13.1 HG2 ARG 19 - HD2 LYS 24 far 0 100 0 - 9.7-13.2 HG2 ARG 19 - HD3 LYS 24 far 0 100 0 - 9.7-14.3 HB2 ARG 30 - HD2 LYS 33 far 0 40 0 - 9.8-11.0 HG3 LYS 12 - HD2 LYS 20 far 0 58 0 - 9.8-11.8 HG3 LYS 90 - HD3 LYS 13 far 0 99 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 1122 from cnoeabs.peaks (1.51, 1.70, 28.90 ppm; 2.45 A): 9 out of 29 assignments used, quality = 1.00: HG3 LYS 13 + HD3 LYS 13 OK 60 97 70 89 2.3-3.0 3.0=57, 1.8/524=10...(32) HG3 LYS 24 + HD2 LYS 24 OK 58 100 65 89 2.3-3.0 3.0=57, 1096/4.9=12...(39) HG3 LYS 13 + HD2 LYS 13 OK 57 98 65 89 2.3-3.0 3.0=57, 1.8/524=10...(32) * HG3 LYS 24 + HD3 LYS 24 OK 54 100 60 90 2.3-3.0 3.0=57, 1096/4.9=12...(46) 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 41 45 100 92 2.3-2.6 3.0=56, 12088/12091=8...(61) HG3 LYS 33 + HD3 LYS 33 OK 36 46 90 88 2.3-3.0 3.0=57, 1418/1420=13...(35) HG2 LYS 73 + HD2 LYS 73 OK 33 53 70 89 2.3-3.0 3.0=57, 1.8/2175=8...(57) HG2 LYS 47 + HD2 LYS 47 OK 22 44 55 92 2.3-3.0 3.0=56, 1.8/2175=12...(63) HG3 LYS 33 - HD2 LYS 33 far 5 46 10 - 2.7-3.0 HG3 LYS 13 - HD3 LYS 12 far 0 89 0 - 5.8-7.4 HB2 LEU 14 - HD2 LYS 13 far 0 96 0 - 6.2-8.2 HB2 LEU 14 - HD3 LYS 13 far 0 95 0 - 6.4-8.4 HG3 LYS 13 - HD2 LYS 12 far 0 89 0 - 6.5-8.1 HG3 LYS 24 - HD3 LYS 20 far 0 54 0 - 7.0-12.0 HG3 LYS 24 - HD2 LYS 20 far 0 60 0 - 7.5-11.1 HG3 LYS 33 - HD2 LYS 12 far 0 92 0 - 7.6-10.8 HG LEU 57 - HB3 ARG 91 far 0 52 0 - 8.0-8.4 HG3 LYS 33 - HD3 LYS 12 far 0 92 0 - 8.1-10.5 HB2 LEU 14 - HD2 LYS 12 far 0 87 0 - 8.1-10.7 HB2 LEU 14 - HD3 LYS 12 far 0 87 0 - 8.2-9.7 HG3 LYS 13 - HD2 LYS 20 far 0 57 0 - 8.6-10.1 HG3 LYS 13 - HD3 LYS 20 far 0 51 0 - 8.7-11.5 HG2 LYS 66 - HD2 LYS 73 far 0 53 0 - 9.4-12.9 HB2 LEU 14 - HD2 LYS 20 far 0 55 0 - 9.4-11.0 HG3 LYS 66 - HD2 LYS 73 far 0 54 0 - 9.6-12.5 HB2 LEU 14 - HD3 LYS 20 far 0 49 0 - 9.7-12.0 HB ILE 7 - HD3 LYS 12 far 0 87 0 - 9.9-12.6 HB ILE 7 - HD3 LYS 20 far 0 49 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 1123 from cnoeabs.peaks (1.70, 1.70, 28.90 ppm; diagonal): 14 out of 14 assignments used, quality = 1.00: HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 99 99 - 100 HD3 LYS 13 + HD3 LYS 13 OK 98 98 - 100 HD3 LYS 12 + HD3 LYS 12 OK 92 92 - 100 HD2 LYS 12 + HD2 LYS 12 OK 92 92 - 100 HD2 LYS 20 + HD2 LYS 20 OK 52 52 - 100 HB3 ARG 91 + HB3 ARG 91 OK 49 49 - 100 HD3 LYS 47 + HD3 LYS 47 OK 47 47 - 100 HD2 LYS 47 + HD2 LYS 47 OK 45 45 - 100 HD3 LYS 20 + HD3 LYS 20 OK 44 44 - 100 HD2 LYS 73 + HD2 LYS 73 OK 42 42 - 100 HD2 LYS 33 + HD2 LYS 33 OK 30 30 - 100 HD3 LYS 33 + HD3 LYS 33 OK 30 30 - 100 Reference assignment not found: HD2 LYS 24 - HD3 LYS 24 Peak 1124 from cnoeabs.peaks (1.70, 1.70, 28.90 ppm; diagonal): 14 out of 14 assignments used, quality = 1.00: * HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 13 + HD3 LYS 13 OK 99 99 - 100 HD3 LYS 12 + HD3 LYS 12 OK 92 92 - 100 HD2 LYS 12 + HD2 LYS 12 OK 92 92 - 100 HD2 LYS 20 + HD2 LYS 20 OK 51 51 - 100 HB3 ARG 91 + HB3 ARG 91 OK 49 49 - 100 HD3 LYS 47 + HD3 LYS 47 OK 46 46 - 100 HD2 LYS 47 + HD2 LYS 47 OK 45 45 - 100 HD3 LYS 20 + HD3 LYS 20 OK 43 43 - 100 HD2 LYS 73 + HD2 LYS 73 OK 40 40 - 100 HD2 LYS 33 + HD2 LYS 33 OK 31 31 - 100 HD3 LYS 33 + HD3 LYS 33 OK 31 31 - 100 Peak 1125 from cnoeabs.peaks (2.96, 1.70, 28.90 ppm; 2.88 A): 16 out of 64 assignments used, quality = 1.00: * HE2 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.3-3.0 3.0=91, 1132/3.0=9...(75) HE3 LYS 24 + HD2 LYS 24 OK 99 100 100 99 2.3-3.0 3.0=91, 475/3.0=8...(75) HE3 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=94, 474/3.0=13...(64) HE3 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.4-3.0 3.0=91, 475/3.0=8...(75) HE2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.5-3.0 2.9=94, 474/3.0=12...(64) HE2 LYS 24 + HD2 LYS 24 OK 98 100 100 98 2.4-3.0 3.0=91, 1132/3.0=9...(75) HE2 LYS 13 + HD3 LYS 13 OK 98 99 100 99 2.3-3.0 2.9=94, 474/3.0=12...(64) HE3 LYS 13 + HD3 LYS 13 OK 98 99 100 99 2.5-3.0 2.9=94, 474/3.0=13...(64) HE3 LYS 12 + HD3 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=90, ~463=19, ~464=19...(38) HE3 LYS 12 + HD2 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=90, ~463=19, ~464=19...(38) HE2 LYS 73 + HD2 LYS 73 OK 56 57 100 98 2.5-3.0 3.0=89, 3322/1.8=6...(77) HE3 LYS 73 + HD2 LYS 73 OK 52 53 100 98 2.3-3.0 3.0=89, 4.0/1110=5...(75) HE2 LYS 47 + HD3 LYS 47 OK 48 48 100 99 2.3-3.0 3.0=91, 2154/3.9=10...(87) HE3 LYS 47 + HD3 LYS 47 OK 48 48 100 99 2.3-3.0 3.0=91, 2154/3.9=10...(82) HE3 LYS 47 + HD2 LYS 47 OK 47 47 100 99 2.3-3.0 3.0=91, 2154/3.9=10...(82) HE2 LYS 47 + HD2 LYS 47 OK 47 47 100 99 2.3-3.0 3.0=91, 2155/3.9=10...(87) HB3 ASP 11 - HD2 LYS 13 far 0 72 0 - 4.4-7.2 HE3 LYS 90 - HD3 LYS 20 far 0 39 0 - 4.4-8.4 HG2 MET 21 - HD3 LYS 24 far 0 90 0 - 5.1-8.0 HG2 MET 21 - HD2 LYS 24 far 0 89 0 - 5.5-8.4 HE3 LYS 90 - HD2 LYS 20 far 0 44 0 - 5.6-8.5 HB3 ASP 11 - HD3 LYS 12 far 0 62 0 - 5.6-8.1 HB3 ASP 11 - HD3 LYS 13 far 0 71 0 - 5.6-7.5 HB3 ASP 11 - HD2 LYS 12 far 0 62 0 - 5.6-8.7 HE3 LYS 24 - HD3 LYS 20 far 0 54 0 - 5.8-12.5 HE3 LYS 12 - HD3 LYS 33 far 0 46 0 - 5.8-9.2 HB2 ASN 10 - HD2 LYS 12 far 0 59 0 - 5.9-11.0 HG2 MET 21 - HD3 LYS 20 far 0 43 0 - 6.0-9.1 HE2 LYS 24 - HD3 LYS 20 far 0 54 0 - 6.1-12.3 HB2 SER 9 - HD2 LYS 12 far 0 67 0 - 6.1-11.1 HB2 SER 9 - HD3 LYS 12 far 0 67 0 - 6.2-9.5 HB2 ASN 10 - HD3 LYS 12 far 0 59 0 - 6.4-10.1 HE3 LYS 13 - HD3 LYS 12 far 0 92 0 - 6.5-10.7 HE2 LYS 13 - HD2 LYS 20 far 0 60 0 - 6.5-12.1 HG2 MET 21 - HB3 ARG 91 far 0 43 0 - 6.9-7.5 HE3 LYS 24 - HD2 LYS 20 far 0 60 0 - 6.9-12.0 HE3 LYS 12 - HD2 LYS 33 far 0 46 0 - 6.9-10.5 HG2 MET 21 - HD2 LYS 20 far 0 48 0 - 6.9-9.4 HE3 LYS 90 - HD2 LYS 24 far 0 84 0 - 7.1-11.6 HE3 LYS 13 - HD2 LYS 12 far 0 92 0 - 7.1-11.2 HB2 PHE 45 - HD3 LYS 47 far 0 42 0 - 7.2-8.6 HE2 LYS 13 - HD2 LYS 12 far 0 92 0 - 7.2-12.0 HE3 LYS 90 - HD3 LYS 24 far 0 84 0 - 7.3-10.7 HE3 LYS 12 - HD3 LYS 13 far 0 99 0 - 7.3-11.8 HB3 PHE 45 - HD3 LYS 47 far 0 51 0 - 7.3-9.1 HE3 LYS 90 - HB3 ARG 91 far 0 39 0 - 7.4-8.9 HE2 LYS 13 - HD3 LYS 12 far 0 92 0 - 7.5-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 60 0 - 7.5-11.7 HE2 LYS 13 - HD3 LYS 20 far 0 54 0 - 7.5-13.3 HB2 ASN 10 - HD3 LYS 33 far 0 26 0 - 7.5-8.6 HE3 LYS 13 - HD2 LYS 20 far 0 59 0 - 7.5-11.8 HE3 LYS 13 - HD3 LYS 20 far 0 54 0 - 7.6-13.1 HE3 LYS 12 - HD2 LYS 13 far 0 100 0 - 7.7-11.9 HE3 LYS 90 - HD2 LYS 13 far 0 83 0 - 7.7-13.0 HB2 PHE 45 - HD2 LYS 47 far 0 41 0 - 7.8-9.3 HB2 SER 9 - HD3 LYS 33 far 0 30 0 - 8.0-10.0 HE3 LYS 90 - HD3 LYS 13 far 0 82 0 - 8.0-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 60 0 - 8.1-13.3 HB3 PHE 45 - HD2 LYS 47 far 0 50 0 - 8.2-9.6 HE3 LYS 12 - HD3 LYS 20 far 0 54 0 - 8.2-14.3 HB2 ASN 10 - HD2 LYS 33 far 0 26 0 - 8.6-9.8 HB2 SER 9 - HD2 LYS 33 far 0 30 0 - 9.3-10.8 HB2 SER 9 - HD2 LYS 13 far 0 78 0 - 9.5-12.2 HB2 ASN 10 - HD2 LYS 13 far 0 68 0 - 10.0-12.7 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 64 assignments used, quality = 1.00: HE2 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.3-3.0 3.0=91, 1132/3.0=9...(75) HE3 LYS 24 + HD2 LYS 24 OK 99 100 100 99 2.3-3.0 3.0=91, 475/3.0=8...(75) HE3 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=94, 474/3.0=13...(64) * HE3 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.4-3.0 3.0=91, 475/3.0=8...(75) HE2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.5-3.0 2.9=94, 474/3.0=12...(64) HE2 LYS 24 + HD2 LYS 24 OK 98 100 100 98 2.4-3.0 3.0=91, 1132/3.0=9...(75) HE2 LYS 13 + HD3 LYS 13 OK 98 99 100 99 2.3-3.0 2.9=94, 474/3.0=12...(64) HE3 LYS 13 + HD3 LYS 13 OK 98 99 100 99 2.5-3.0 2.9=94, 474/3.0=13...(64) HE3 LYS 12 + HD3 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=90, ~463=19, ~464=19...(38) HE3 LYS 12 + HD2 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=90, ~463=19, ~464=19...(38) HE2 LYS 73 + HD2 LYS 73 OK 56 57 100 98 2.5-3.0 3.0=89, 3322/1.8=6...(77) HE3 LYS 73 + HD2 LYS 73 OK 52 53 100 98 2.3-3.0 3.0=89, 4.0/1110=5...(75) HE2 LYS 47 + HD3 LYS 47 OK 48 48 100 99 2.3-3.0 3.0=91, 2154/3.9=10...(87) HE3 LYS 47 + HD3 LYS 47 OK 48 48 100 99 2.3-3.0 3.0=91, 2154/3.9=10...(82) HE3 LYS 47 + HD2 LYS 47 OK 47 47 100 99 2.3-3.0 3.0=91, 2154/3.9=10...(82) HE2 LYS 47 + HD2 LYS 47 OK 47 47 100 99 2.3-3.0 3.0=91, 2155/3.9=10...(87) HB3 ASP 11 - HD2 LYS 13 far 0 72 0 - 4.4-7.2 HE3 LYS 90 - HD3 LYS 20 far 0 39 0 - 4.4-8.4 HG2 MET 21 - HD3 LYS 24 far 0 90 0 - 5.1-8.0 HG2 MET 21 - HD2 LYS 24 far 0 89 0 - 5.5-8.4 HE3 LYS 90 - HD2 LYS 20 far 0 44 0 - 5.6-8.5 HB3 ASP 11 - HD3 LYS 12 far 0 62 0 - 5.6-8.1 HB3 ASP 11 - HD3 LYS 13 far 0 71 0 - 5.6-7.5 HB3 ASP 11 - HD2 LYS 12 far 0 62 0 - 5.6-8.7 HE3 LYS 24 - HD3 LYS 20 far 0 54 0 - 5.8-12.5 HE3 LYS 12 - HD3 LYS 33 far 0 46 0 - 5.8-9.2 HB2 ASN 10 - HD2 LYS 12 far 0 59 0 - 5.9-11.0 HG2 MET 21 - HD3 LYS 20 far 0 43 0 - 6.0-9.1 HE2 LYS 24 - HD3 LYS 20 far 0 54 0 - 6.1-12.3 HB2 SER 9 - HD2 LYS 12 far 0 67 0 - 6.1-11.1 HB2 SER 9 - HD3 LYS 12 far 0 67 0 - 6.2-9.5 HB2 ASN 10 - HD3 LYS 12 far 0 59 0 - 6.4-10.1 HE3 LYS 13 - HD3 LYS 12 far 0 92 0 - 6.5-10.7 HE2 LYS 13 - HD2 LYS 20 far 0 60 0 - 6.5-12.1 HG2 MET 21 - HB3 ARG 91 far 0 43 0 - 6.9-7.5 HE3 LYS 24 - HD2 LYS 20 far 0 60 0 - 6.9-12.0 HE3 LYS 12 - HD2 LYS 33 far 0 46 0 - 6.9-10.5 HG2 MET 21 - HD2 LYS 20 far 0 48 0 - 6.9-9.4 HE3 LYS 90 - HD2 LYS 24 far 0 84 0 - 7.1-11.6 HE3 LYS 13 - HD2 LYS 12 far 0 92 0 - 7.1-11.2 HB2 PHE 45 - HD3 LYS 47 far 0 42 0 - 7.2-8.6 HE2 LYS 13 - HD2 LYS 12 far 0 92 0 - 7.2-12.0 HE3 LYS 90 - HD3 LYS 24 far 0 84 0 - 7.3-10.7 HE3 LYS 12 - HD3 LYS 13 far 0 99 0 - 7.3-11.8 HB3 PHE 45 - HD3 LYS 47 far 0 51 0 - 7.3-9.1 HE3 LYS 90 - HB3 ARG 91 far 0 39 0 - 7.4-8.9 HE2 LYS 13 - HD3 LYS 12 far 0 92 0 - 7.5-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 60 0 - 7.5-11.7 HE2 LYS 13 - HD3 LYS 20 far 0 54 0 - 7.5-13.3 HB2 ASN 10 - HD3 LYS 33 far 0 26 0 - 7.5-8.6 HE3 LYS 13 - HD2 LYS 20 far 0 59 0 - 7.5-11.8 HE3 LYS 13 - HD3 LYS 20 far 0 54 0 - 7.6-13.1 HE3 LYS 12 - HD2 LYS 13 far 0 100 0 - 7.7-11.9 HE3 LYS 90 - HD2 LYS 13 far 0 83 0 - 7.7-13.0 HB2 PHE 45 - HD2 LYS 47 far 0 41 0 - 7.8-9.3 HB2 SER 9 - HD3 LYS 33 far 0 30 0 - 8.0-10.0 HE3 LYS 90 - HD3 LYS 13 far 0 82 0 - 8.0-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 60 0 - 8.1-13.3 HB3 PHE 45 - HD2 LYS 47 far 0 50 0 - 8.2-9.6 HE3 LYS 12 - HD3 LYS 20 far 0 54 0 - 8.2-14.3 HB2 ASN 10 - HD2 LYS 33 far 0 26 0 - 8.6-9.8 HB2 SER 9 - HD2 LYS 33 far 0 30 0 - 9.3-10.8 HB2 SER 9 - HD2 LYS 13 far 0 78 0 - 9.5-12.2 HB2 ASN 10 - HD2 LYS 13 far 0 68 0 - 10.0-12.7 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 13 assignments used, quality = 0.89: H ALA 25 + HD2 LYS 24 OK 35 100 35 99 4.6-6.5 6402/3.0=68, 6400/3.6=66...(8) * H ALA 25 + HD3 LYS 24 OK 35 100 35 99 5.0-6.7 6402/3.0=68, 6400/3.6=66...(8) H MET 21 + HD2 LYS 20 OK 35 44 80 99 4.2-6.2 6325/3.5=69, 6324/3.5=64...(9) H MET 21 + HD3 LYS 20 OK 31 39 80 99 3.8-5.9 6325/3.5=69, 6324/3.5=64...(10) H MET 21 + HD3 LYS 24 OK 25 84 35 84 4.5-8.1 ~11063=40, ~8564=33...(7) H MET 21 + HD2 LYS 24 OK 21 84 30 84 4.2-6.8 3.0/11063=53, ~8564=24...(7) H MET 74 - HD2 LYS 73 poor 11 32 35 - 3.8-6.7 H SER 49 - HD2 LYS 47 far 0 45 0 - 5.5-8.7 H SER 49 - HD3 LYS 47 far 0 46 0 - 7.1-9.1 H GLU 37 - HD2 LYS 33 far 0 28 0 - 8.0-8.9 H GLU 37 - HD3 LYS 33 far 0 28 0 - 8.6-9.4 H SER 85 - HB3 ARG 91 far 0 43 0 - 8.6-9.2 H ALA 25 - HD3 LYS 20 far 0 54 0 - 9.0-11.5 Violated in 0 structures by 0.00 A. Peak 1128 from cnoeabs.peaks (7.57, 2.96, 41.80 ppm; 6.43 A increased from 6.05 A): 4 out of 13 assignments used, quality = 1.00: H LYS 24 + HE3 LYS 24 OK 95 100 95 100 2.4-7.1 6386/3.7=94, 1073/4.9=94...(16) * H LYS 24 + HE2 LYS 24 OK 95 100 95 100 3.9-7.1 6386/3.7=94, 1073/4.9=94...(15) H LEU 14 + HE2 LYS 13 OK 49 91 55 99 5.5-7.5 6191/3.8=74, 6182/7.3=54...(8) H LEU 14 + HE3 LYS 13 OK 31 90 35 99 5.4-7.4 6191/3.8=74, 6182/7.3=54...(8) H GLU 44 - HE3 LYS 47 poor 15 73 20 - 5.9-8.4 H GLU 44 - HE2 LYS 47 far 11 73 15 - 4.8-8.1 H LEU 14 - HE3 LYS 12 far 9 90 10 - 6.0-9.2 HD22 ASN 10 - HE3 LYS 12 far 7 73 10 - 6.0-12.0 H GLU 88 - HE3 LYS 90 far 0 68 0 - 6.9-7.6 H LEU 14 - HE3 LYS 90 far 0 56 0 - 8.7-11.0 H ILE 76 - HE3 LYS 73 far 0 85 0 - 8.8-11.1 H ILE 76 - HE2 LYS 73 far 0 92 0 - 9.0-10.8 H LYS 24 - HE3 LYS 90 far 0 68 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 1130 from cnoeabs.peaks (1.96, 2.96, 41.80 ppm; 3.35 A): 8 out of 47 assignments used, quality = 1.00: HB2 LYS 47 + HE3 LYS 47 OK 80 95 85 99 2.0-4.7 4.9=33, 1.8/2155=22...(102) HB2 LYS 47 + HE2 LYS 47 OK 66 95 70 99 2.0-4.6 4.9=33, 1.8/2154=21...(102) HB3 LYS 73 + HE2 LYS 73 OK 56 96 60 98 2.5-4.3 4.9=32, 3.0/3235=10...(101) HB2 GLU 17 + HE3 LYS 90 OK 46 56 90 92 2.1-4.1 3.0/9045=31...(18) HB2 LYS 73 + HE2 LYS 73 OK 38 96 40 99 2.3-5.3 4.9=32, 7205/7.0=11...(114) HB3 LYS 47 + HE3 LYS 47 OK 27 55 50 99 2.1-4.8 4.9=33, 3.0/2131=13...(113) HB3 LYS 73 + HE3 LYS 73 OK 26 89 30 98 2.4-4.5 4.9=32, 1082/1.8=10...(105) HB3 LYS 24 + HE3 LYS 24 OK 25 100 25 98 2.2-5.5 4.9=31, ~12306=26...(94) HB3 LYS 24 - HE2 LYS 24 poor 20 100 20 98 2.6-4.8 4.9=31, 3.0/12306=28...(93) HB3 LYS 47 - HE2 LYS 47 poor 19 55 35 - 2.7-5.0 HB2 LYS 73 - HE3 LYS 73 poor 18 90 20 - 2.7-5.1 ! HB2 LYS 24 - HE2 LYS 24 far 15 100 15 - 3.1-5.1 HB2 LYS 24 - HE3 LYS 24 far 10 100 10 - 2.4-5.0 HB3 GLU 44 - HE2 LYS 47 far 3 55 5 - 3.5-7.9 HB2 ARG 46 - HE3 LYS 47 far 0 92 0 - 4.1-9.5 QE MET 74 - HE3 LYS 73 far 0 48 0 - 4.1-9.4 HB2 GLU 44 - HE2 LYS 47 far 0 55 0 - 4.2-8.6 HB3 GLU 44 - HE3 LYS 47 far 0 55 0 - 4.4-8.1 HB3 LYS 20 - HE2 LYS 24 far 0 81 0 - 4.4-9.6 HB3 LYS 20 - HE3 LYS 24 far 0 81 0 - 4.6-9.9 HB3 ARG 46 - HE3 LYS 47 far 0 95 0 - 4.6-8.3 HB3 MET 74 - HE3 LYS 73 far 0 90 0 - 5.1-10.0 HB3 LYS 20 - HE3 LYS 90 far 0 48 0 - 5.2-7.6 QE MET 74 - HE2 LYS 73 far 0 54 0 - 5.6-9.8 HB2 ARG 46 - HE2 LYS 47 far 0 92 0 - 5.6-9.7 HB2 GLU 44 - HE3 LYS 47 far 0 55 0 - 5.8-8.9 HB3 ARG 46 - HE2 LYS 47 far 0 95 0 - 6.1-8.5 HB3 MET 74 - HE2 LYS 73 far 0 97 0 - 6.5-9.9 HB3 ARG 19 - HE3 LYS 12 far 0 71 0 - 6.6-11.9 HB2 GLU 17 - HE3 LYS 13 far 0 90 0 - 6.7-11.6 HB2 GLU 17 - HE2 LYS 13 far 0 91 0 - 7.5-11.7 QE MET 74 - HE2 LYS 47 far 0 53 0 - 7.9-11.0 QE MET 74 - HE3 LYS 47 far 0 53 0 - 7.9-11.0 HB3 ARG 19 - HE3 LYS 24 far 0 71 0 - 8.2-13.6 HB2 GLU 17 - HE3 LYS 24 far 0 91 0 - 8.3-12.9 HB2 LYS 24 - HE3 LYS 90 far 0 68 0 - 8.4-9.8 HB3 ARG 19 - HE3 LYS 90 far 0 41 0 - 8.8-10.2 HB2 GLU 17 - HE2 LYS 24 far 0 91 0 - 9.0-12.7 HB3 ARG 19 - HE2 LYS 24 far 0 71 0 - 9.2-13.7 HB3 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.3-10.9 HB3 ARG 19 - HE2 LYS 13 far 0 71 0 - 9.4-14.5 HB3 LYS 20 - HE2 LYS 13 far 0 80 0 - 9.4-14.2 HG3 GLU 88 - HE3 LYS 90 far 0 58 0 - 9.5-10.9 HB3 LYS 20 - HE3 LYS 13 far 0 80 0 - 9.6-14.5 HB3 ARG 19 - HE3 LYS 13 far 0 71 0 - 9.8-14.5 HB3 LYS 20 - HE3 LYS 12 far 0 80 0 - 9.9-16.5 HB2 GLU 17 - HE3 LYS 12 far 0 90 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 1131 from cnoeabs.peaks (1.96, 2.96, 41.80 ppm; 3.35 A): 8 out of 47 assignments used, quality = 1.00: HB2 LYS 47 + HE3 LYS 47 OK 80 95 85 99 2.0-4.7 4.9=33, 1.8/2155=22...(102) HB2 LYS 47 + HE2 LYS 47 OK 66 95 70 99 2.0-4.6 4.9=33, 1.8/2154=21...(102) HB3 LYS 73 + HE2 LYS 73 OK 56 96 60 98 2.5-4.3 4.9=32, 3.0/3235=10...(101) HB2 GLU 17 + HE3 LYS 90 OK 46 56 90 92 2.1-4.1 3.0/9045=31...(18) HB2 LYS 73 + HE2 LYS 73 OK 38 96 40 99 2.3-5.3 4.9=32, 7205/7.0=11...(114) HB3 LYS 47 + HE3 LYS 47 OK 27 55 50 99 2.1-4.8 4.9=33, 3.0/2131=13...(113) HB3 LYS 73 + HE3 LYS 73 OK 26 89 30 98 2.4-4.5 4.9=32, 1082/1.8=10...(105) HB3 LYS 24 + HE3 LYS 24 OK 25 100 25 98 2.2-5.5 4.9=31, ~12306=26...(94) ! HB3 LYS 24 - HE2 LYS 24 poor 20 100 20 98 2.6-4.8 4.9=31, 3.0/12306=28...(93) HB3 LYS 47 - HE2 LYS 47 poor 19 55 35 - 2.7-5.0 HB2 LYS 73 - HE3 LYS 73 poor 18 90 20 - 2.7-5.1 HB2 LYS 24 - HE2 LYS 24 far 15 100 15 - 3.1-5.1 HB2 LYS 24 - HE3 LYS 24 far 10 100 10 - 2.4-5.0 HB3 GLU 44 - HE2 LYS 47 far 3 55 5 - 3.5-7.9 HB2 ARG 46 - HE3 LYS 47 far 0 92 0 - 4.1-9.5 QE MET 74 - HE3 LYS 73 far 0 48 0 - 4.1-9.4 HB2 GLU 44 - HE2 LYS 47 far 0 55 0 - 4.2-8.6 HB3 GLU 44 - HE3 LYS 47 far 0 55 0 - 4.4-8.1 HB3 LYS 20 - HE2 LYS 24 far 0 81 0 - 4.4-9.6 HB3 LYS 20 - HE3 LYS 24 far 0 81 0 - 4.6-9.9 HB3 ARG 46 - HE3 LYS 47 far 0 95 0 - 4.6-8.3 HB3 MET 74 - HE3 LYS 73 far 0 90 0 - 5.1-10.0 HB3 LYS 20 - HE3 LYS 90 far 0 48 0 - 5.2-7.6 QE MET 74 - HE2 LYS 73 far 0 54 0 - 5.6-9.8 HB2 ARG 46 - HE2 LYS 47 far 0 92 0 - 5.6-9.7 HB2 GLU 44 - HE3 LYS 47 far 0 55 0 - 5.8-8.9 HB3 ARG 46 - HE2 LYS 47 far 0 95 0 - 6.1-8.5 HB3 MET 74 - HE2 LYS 73 far 0 97 0 - 6.5-9.9 HB3 ARG 19 - HE3 LYS 12 far 0 71 0 - 6.6-11.9 HB2 GLU 17 - HE3 LYS 13 far 0 90 0 - 6.7-11.6 HB2 GLU 17 - HE2 LYS 13 far 0 91 0 - 7.5-11.7 QE MET 74 - HE2 LYS 47 far 0 53 0 - 7.9-11.0 QE MET 74 - HE3 LYS 47 far 0 53 0 - 7.9-11.0 HB3 ARG 19 - HE3 LYS 24 far 0 71 0 - 8.2-13.6 HB2 GLU 17 - HE3 LYS 24 far 0 91 0 - 8.3-12.9 HB2 LYS 24 - HE3 LYS 90 far 0 68 0 - 8.4-9.8 HB3 ARG 19 - HE3 LYS 90 far 0 41 0 - 8.8-10.2 HB2 GLU 17 - HE2 LYS 24 far 0 91 0 - 9.0-12.7 HB3 ARG 19 - HE2 LYS 24 far 0 71 0 - 9.2-13.7 HB3 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.3-10.9 HB3 ARG 19 - HE2 LYS 13 far 0 71 0 - 9.4-14.5 HB3 LYS 20 - HE2 LYS 13 far 0 80 0 - 9.4-14.2 HG3 GLU 88 - HE3 LYS 90 far 0 58 0 - 9.5-10.9 HB3 LYS 20 - HE3 LYS 13 far 0 80 0 - 9.6-14.5 HB3 ARG 19 - HE3 LYS 13 far 0 71 0 - 9.8-14.5 HB3 LYS 20 - HE3 LYS 12 far 0 80 0 - 9.9-16.5 HB2 GLU 17 - HE3 LYS 12 far 0 90 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 1132 from cnoeabs.peaks (1.59, 2.96, 41.80 ppm; 2.82 A): 7 out of 29 assignments used, quality = 0.97: HG3 LYS 90 + HE3 LYS 90 OK 56 68 100 82 2.2-2.9 3.8=41, 1.8/4005=19...(15) * HG2 LYS 24 + HE2 LYS 24 OK 55 100 60 91 2.3-3.8 3.7=43, 1121/3.0=10...(69) HG3 LYS 12 + HE3 LYS 12 OK 44 99 50 89 2.2-3.9 4.0=36, ~463=28, ~423=25...(29) HG2 LYS 24 + HE3 LYS 24 OK 37 100 40 91 2.1-3.9 3.7=43, 1121/3.0=10...(69) HG3 LYS 47 + HE3 LYS 47 OK 36 58 65 94 2.2-4.2 3.8=42, 3.0/2154=12...(71) HG3 LYS 73 + HE3 LYS 73 OK 24 86 30 93 2.1-4.2 4.0=35, 3298/3.0=17...(72) HG3 LYS 73 + HE2 LYS 73 OK 21 93 25 92 2.1-4.2 4.0=35, 3298/3.0=17...(72) HG3 LYS 47 - HE2 LYS 47 far 9 58 15 - 2.5-3.9 HG2 ARG 19 - HE3 LYS 12 far 0 100 0 - 5.2-12.1 HD2 LYS 94 - HE3 LYS 90 far 0 35 0 - 5.8-11.6 HD2 LYS 94 - HE2 LYS 24 far 0 61 0 - 5.9-11.9 HG3 LYS 12 - HE3 LYS 13 far 0 99 0 - 6.0-10.1 HG3 LYS 90 - HE3 LYS 24 far 0 100 0 - 6.3-10.6 HD2 LYS 94 - HE3 LYS 24 far 0 61 0 - 6.5-12.2 HD3 LYS 94 - HE3 LYS 90 far 0 64 0 - 6.8-11.7 HG3 LYS 90 - HE2 LYS 24 far 0 100 0 - 7.0-10.9 HD2 LYS 66 - HE3 LYS 73 far 0 84 0 - 7.1-11.8 HD2 LYS 66 - HE2 LYS 73 far 0 91 0 - 7.2-11.5 HG3 LYS 12 - HE2 LYS 13 far 0 99 0 - 7.3-10.3 HD3 LYS 94 - HE2 LYS 24 far 0 98 0 - 7.4-13.6 HD3 LYS 94 - HE3 LYS 24 far 0 98 0 - 7.5-13.8 HG2 LYS 33 - HE3 LYS 12 far 0 61 0 - 8.1-11.7 HB3 LEU 29 - HE3 LYS 24 far 0 99 0 - 8.9-14.2 HG LEU 27 - HE3 LYS 24 far 0 98 0 - 9.0-12.2 HG2 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.0-11.8 HG3 LYS 90 - HE3 LYS 13 far 0 100 0 - 9.3-14.3 HG2 ARG 19 - HE3 LYS 90 far 0 68 0 - 9.3-11.7 HG2 ARG 19 - HE3 LYS 24 far 0 100 0 - 9.7-15.6 HG LEU 27 - HE2 LYS 24 far 0 98 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 1133 from cnoeabs.peaks (1.51, 2.96, 41.80 ppm; 3.75 A increased from 3.16 A): 8 out of 22 assignments used, quality = 1.00: * HG3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.2-4.0 3.7=100 HG3 LYS 24 + HE3 LYS 24 OK 95 100 95 100 2.3-4.2 3.7=100 HG3 LYS 13 + HE2 LYS 13 OK 93 98 95 100 2.3-4.1 3.8=94, 486/6.0=23...(73) HG3 LYS 13 + HE3 LYS 13 OK 93 98 95 100 2.1-4.2 3.8=94, 486/6.0=23...(72) HG2 LYS 47 + HE3 LYS 47 OK 88 88 100 100 2.4-3.9 3.8=98, 3.0/2154=23...(121) HG2 LYS 73 + HE2 LYS 73 OK 81 90 90 100 2.1-4.2 4.0=82, ~3298=16...(110) HG2 LYS 73 + HE3 LYS 73 OK 74 83 90 100 2.2-4.1 4.0=82, ~3298=16...(109) HG2 LYS 47 + HE2 LYS 47 OK 61 88 70 100 2.3-4.2 3.8=98, 3.0/2154=22...(126) HG3 LYS 13 - HE3 LYS 12 far 0 98 0 - 5.4-9.4 HB2 LEU 14 - HE3 LYS 13 far 0 96 0 - 6.4-9.1 HB2 ARG 91 - HE3 LYS 90 far 0 55 0 - 6.4-8.4 HB2 LEU 14 - HE2 LYS 13 far 0 97 0 - 6.9-9.5 HG3 LYS 33 - HE3 LYS 12 far 0 100 0 - 7.4-10.5 HB2 LEU 14 - HE3 LYS 12 far 0 97 0 - 8.3-11.4 HB2 LEU 14 - HE3 LYS 90 far 0 63 0 - 8.5-10.0 HG3 LYS 66 - HE2 LYS 73 far 0 91 0 - 8.6-12.8 HG3 LYS 66 - HE3 LYS 73 far 0 84 0 - 8.7-13.0 HG2 LYS 66 - HE2 LYS 73 far 0 89 0 - 8.8-13.2 HG3 LYS 24 - HE3 LYS 90 far 0 68 0 - 8.9-11.4 HB ILE 7 - HE3 LYS 12 far 0 97 0 - 8.9-13.3 HG2 LYS 66 - HE3 LYS 73 far 0 82 0 - 9.0-13.0 HG LEU 2 - HE3 LYS 47 far 0 94 0 - 10.0-13.9 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 73 assignments used, quality = 1.00: HD3 LYS 13 + HE2 LYS 13 OK 78 100 85 92 2.3-3.0 2.9=72, 3.0/474=9...(52) HD2 LYS 24 + HE3 LYS 24 OK 77 100 85 90 2.3-3.0 3.0=69, 1.8/559=5...(50) HD3 LYS 47 + HE2 LYS 47 OK 74 90 90 91 2.3-3.0 3.0=69, 3.9/2155=8...(59) HD2 LYS 12 + HE3 LYS 12 OK 66 100 75 88 2.3-3.0 3.0=69, ~463=15, ~423=14...(24) HD2 LYS 13 + HE3 LYS 13 OK 60 100 65 92 2.3-3.0 2.9=72, 3.0/474=10...(52) HD3 LYS 12 + HE3 LYS 12 OK 57 100 65 88 2.3-3.0 3.0=69, ~463=15, ~423=14...(24) HD3 LYS 24 + HE2 LYS 24 OK 54 100 60 90 2.3-3.0 3.0=69, 1121/3.7=6...(50) HD3 LYS 90 + HE3 LYS 90 OK 54 68 90 88 2.2-3.0 3.0=70, 3981/4.8=15...(19) HD2 LYS 47 + HE3 LYS 47 OK 53 90 65 90 2.3-3.0 3.0=69, 3.9/2154=8...(58) HD3 LYS 24 + HE3 LYS 24 OK 50 100 55 90 2.4-3.0 3.0=69, 1121/3.7=6...(50) * HD2 LYS 24 + HE2 LYS 24 OK 50 100 55 90 2.4-3.0 3.0=69, 3.0/1093=5...(50) HD2 LYS 13 + HE2 LYS 13 OK 46 100 50 92 2.5-3.0 2.9=72, 3.0/474=9...(52) HD3 LYS 13 + HE3 LYS 13 OK 46 99 50 92 2.5-3.0 2.9=72, 3.0/474=10...(52) HD2 LYS 73 + HE3 LYS 73 OK 44 67 75 88 2.3-3.0 3.0=68, 3298/4.0=6...(47) HD3 LYS 73 + HE2 LYS 73 OK 44 71 70 88 2.3-3.0 3.0=68, 3298/4.0=7...(51) HD2 LYS 47 + HE2 LYS 47 OK 41 90 50 91 2.3-3.0 3.0=69, 2195/3.8=8...(59) HD3 LYS 47 + HE3 LYS 47 OK 37 90 45 90 2.3-3.0 3.0=69, 3.9/2154=8...(59) HD2 LYS 73 + HE2 LYS 73 OK 36 74 55 87 2.5-3.0 3.0=68, 3298/4.0=6...(47) HD3 LYS 73 + HE3 LYS 73 OK 31 64 55 88 2.5-3.0 3.0=68, 3298/4.0=7...(51) HB ILE 15 - HE3 LYS 12 far 3 69 5 - 2.2-6.9 HG LEU 70 - HE3 LYS 73 far 0 90 0 - 3.5-8.3 HG LEU 70 - HE2 LYS 73 far 0 96 0 - 3.8-8.4 HG2 PRO 86 - HE3 LYS 13 far 0 100 0 - 4.2-9.0 HB3 LEU 70 - HE3 LYS 73 far 0 78 0 - 4.4-8.9 HD3 LYS 20 - HE3 LYS 90 far 0 56 0 - 4.4-8.4 HG12 ILE 15 - HE3 LYS 12 far 0 100 0 - 4.6-8.2 HB3 LEU 70 - HE2 LYS 73 far 0 86 0 - 4.6-9.1 HG3 LYS 20 - HE3 LYS 90 far 0 56 0 - 4.9-8.9 HG2 PRO 86 - HE2 LYS 13 far 0 100 0 - 5.0-9.6 HG3 LYS 20 - HE2 LYS 24 far 0 91 0 - 5.4-11.6 HG2 PRO 86 - HE3 LYS 90 far 0 68 0 - 5.5-7.5 HD2 LYS 20 - HE3 LYS 90 far 0 59 0 - 5.6-8.5 HD3 LYS 20 - HE3 LYS 24 far 0 91 0 - 5.8-12.5 HD3 LYS 33 - HE3 LYS 12 far 0 78 0 - 5.8-9.2 HD3 LYS 20 - HE2 LYS 24 far 0 91 0 - 6.1-12.3 HG3 LYS 20 - HE3 LYS 24 far 0 91 0 - 6.2-11.6 HD3 LYS 12 - HE3 LYS 13 far 0 100 0 - 6.5-10.7 HD2 LYS 20 - HE2 LYS 13 far 0 94 0 - 6.5-12.1 HD3 LYS 66 - HE2 LYS 73 far 0 96 0 - 6.6-10.6 HD2 LYS 20 - HE3 LYS 24 far 0 94 0 - 6.9-12.0 HD2 LYS 33 - HE3 LYS 12 far 0 78 0 - 6.9-10.5 HD3 LYS 66 - HE3 LYS 73 far 0 89 0 - 6.9-10.7 HD2 LYS 24 - HE3 LYS 90 far 0 68 0 - 7.1-11.6 HB ILE 15 - HE3 LYS 13 far 0 69 0 - 7.1-10.8 HD2 LYS 12 - HE3 LYS 13 far 0 100 0 - 7.1-11.2 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.2-12.0 HD3 LYS 24 - HE3 LYS 90 far 0 68 0 - 7.3-10.7 HD3 LYS 13 - HE3 LYS 12 far 0 99 0 - 7.3-11.8 HB3 ARG 91 - HE3 LYS 90 far 0 63 0 - 7.4-8.9 HD3 LYS 90 - HE3 LYS 13 far 0 100 0 - 7.4-13.8 HB ILE 15 - HE2 LYS 13 far 0 69 0 - 7.4-11.0 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.5-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 94 0 - 7.5-11.7 HD3 LYS 20 - HE2 LYS 13 far 0 91 0 - 7.5-13.3 HD2 LYS 20 - HE3 LYS 13 far 0 93 0 - 7.5-11.8 HD3 LYS 20 - HE3 LYS 13 far 0 90 0 - 7.6-13.1 HD2 LYS 13 - HE3 LYS 12 far 0 100 0 - 7.7-11.9 HD2 LYS 13 - HE3 LYS 90 far 0 67 0 - 7.7-13.0 HD3 LYS 13 - HE3 LYS 90 far 0 67 0 - 8.0-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 94 0 - 8.1-13.3 HD3 LYS 20 - HE3 LYS 12 far 0 90 0 - 8.2-14.3 HB ILE 52 - HE3 LYS 47 far 0 78 0 - 8.2-11.2 HG3 LYS 20 - HE3 LYS 12 far 0 90 0 - 8.3-16.0 HD3 LYS 90 - HE2 LYS 13 far 0 100 0 - 8.4-13.0 HB ILE 52 - HE2 LYS 47 far 0 78 0 - 8.5-11.4 HG3 LYS 20 - HE2 LYS 13 far 0 91 0 - 8.6-13.7 HD3 LYS 90 - HE3 LYS 24 far 0 100 0 - 8.9-13.3 HB2 LEU 2 - HE3 LYS 47 far 0 95 0 - 9.3-13.4 HG3 LYS 20 - HE3 LYS 13 far 0 90 0 - 9.3-14.0 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 9.6-13.5 HG12 ILE 15 - HE3 LYS 13 far 0 100 0 - 9.7-12.9 HB2 LEU 2 - HE2 LYS 47 far 0 95 0 - 9.7-13.4 HB3 LYS 40 - HE2 LYS 47 far 0 92 0 - 9.9-14.0 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 73 assignments used, quality = 1.00: HD3 LYS 13 + HE2 LYS 13 OK 78 100 85 92 2.3-3.0 2.9=72, 3.0/474=9...(52) HD2 LYS 24 + HE3 LYS 24 OK 77 100 85 90 2.3-3.0 3.0=69, 1.8/559=5...(50) HD3 LYS 47 + HE2 LYS 47 OK 73 90 90 91 2.3-3.0 3.0=69, 3.9/2155=8...(59) HD2 LYS 12 + HE3 LYS 12 OK 66 100 75 88 2.3-3.0 3.0=69, ~463=15, ~423=14...(24) HD2 LYS 13 + HE3 LYS 13 OK 60 100 65 92 2.3-3.0 2.9=72, 3.0/474=10...(52) HD3 LYS 12 + HE3 LYS 12 OK 57 100 65 88 2.3-3.0 3.0=69, ~463=15, ~423=14...(24) * HD3 LYS 24 + HE2 LYS 24 OK 54 100 60 90 2.3-3.0 3.0=69, 1121/3.7=6...(50) HD3 LYS 90 + HE3 LYS 90 OK 54 68 90 88 2.2-3.0 3.0=70, 3981/4.8=15...(19) HD2 LYS 47 + HE3 LYS 47 OK 52 89 65 90 2.3-3.0 3.0=69, 3.9/2154=8...(58) HD3 LYS 24 + HE3 LYS 24 OK 50 100 55 90 2.4-3.0 3.0=69, 1121/3.7=6...(50) HD2 LYS 24 + HE2 LYS 24 OK 50 100 55 90 2.4-3.0 3.0=69, 3.0/1092=5...(50) HD2 LYS 13 + HE2 LYS 13 OK 46 100 50 92 2.5-3.0 2.9=72, 3.0/474=9...(52) HD3 LYS 13 + HE3 LYS 13 OK 46 99 50 92 2.5-3.0 2.9=72, 3.0/474=10...(52) HD2 LYS 73 + HE3 LYS 73 OK 43 65 75 88 2.3-3.0 3.0=68, 3298/4.0=6...(47) HD3 LYS 73 + HE2 LYS 73 OK 42 69 70 88 2.3-3.0 3.0=68, 3298/4.0=7...(51) HD2 LYS 47 + HE2 LYS 47 OK 40 89 50 91 2.3-3.0 3.0=69, 2195/3.8=8...(59) HD3 LYS 47 + HE3 LYS 47 OK 36 90 45 90 2.3-3.0 3.0=69, 3.9/2154=8...(59) HD2 LYS 73 + HE2 LYS 73 OK 35 72 55 87 2.5-3.0 3.0=68, 3298/4.0=6...(47) HD3 LYS 73 + HE3 LYS 73 OK 30 62 55 88 2.5-3.0 3.0=68, 3298/4.0=7...(51) HB ILE 15 - HE3 LYS 12 far 4 71 5 - 2.2-6.9 HG LEU 70 - HE3 LYS 73 far 0 90 0 - 3.5-8.3 HG LEU 70 - HE2 LYS 73 far 0 96 0 - 3.8-8.4 HG2 PRO 86 - HE3 LYS 13 far 0 100 0 - 4.2-9.0 HB3 LEU 70 - HE3 LYS 73 far 0 80 0 - 4.4-8.9 HD3 LYS 20 - HE3 LYS 90 far 0 55 0 - 4.4-8.4 HG12 ILE 15 - HE3 LYS 12 far 0 100 0 - 4.6-8.2 HB3 LEU 70 - HE2 LYS 73 far 0 87 0 - 4.6-9.1 HG3 LYS 20 - HE3 LYS 90 far 0 55 0 - 4.9-8.9 HG2 PRO 86 - HE2 LYS 13 far 0 100 0 - 5.0-9.6 HG3 LYS 20 - HE2 LYS 24 far 0 90 0 - 5.4-11.6 HG2 PRO 86 - HE3 LYS 90 far 0 68 0 - 5.5-7.5 HD2 LYS 20 - HE3 LYS 90 far 0 58 0 - 5.6-8.5 HD3 LYS 20 - HE3 LYS 24 far 0 90 0 - 5.8-12.5 HD3 LYS 33 - HE3 LYS 12 far 0 80 0 - 5.8-9.2 HD3 LYS 20 - HE2 LYS 24 far 0 90 0 - 6.1-12.3 HG3 LYS 20 - HE3 LYS 24 far 0 90 0 - 6.2-11.6 HD3 LYS 12 - HE3 LYS 13 far 0 100 0 - 6.5-10.7 HD2 LYS 20 - HE2 LYS 13 far 0 93 0 - 6.5-12.1 HD3 LYS 66 - HE2 LYS 73 far 0 96 0 - 6.6-10.6 HD2 LYS 20 - HE3 LYS 24 far 0 93 0 - 6.9-12.0 HD2 LYS 33 - HE3 LYS 12 far 0 80 0 - 6.9-10.5 HD3 LYS 66 - HE3 LYS 73 far 0 90 0 - 6.9-10.7 HD2 LYS 24 - HE3 LYS 90 far 0 68 0 - 7.1-11.6 HB ILE 15 - HE3 LYS 13 far 0 71 0 - 7.1-10.8 HD2 LYS 12 - HE3 LYS 13 far 0 100 0 - 7.1-11.2 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.2-12.0 HD3 LYS 24 - HE3 LYS 90 far 0 68 0 - 7.3-10.7 HD3 LYS 13 - HE3 LYS 12 far 0 100 0 - 7.3-11.8 HB3 ARG 91 - HE3 LYS 90 far 0 63 0 - 7.4-8.9 HD3 LYS 90 - HE3 LYS 13 far 0 100 0 - 7.4-13.8 HB ILE 15 - HE2 LYS 13 far 0 71 0 - 7.4-11.0 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.5-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 93 0 - 7.5-11.7 HD3 LYS 20 - HE2 LYS 13 far 0 89 0 - 7.5-13.3 HD2 LYS 20 - HE3 LYS 13 far 0 92 0 - 7.5-11.8 HD3 LYS 20 - HE3 LYS 13 far 0 89 0 - 7.6-13.1 HD2 LYS 13 - HE3 LYS 12 far 0 100 0 - 7.7-11.9 HD2 LYS 13 - HE3 LYS 90 far 0 68 0 - 7.7-13.0 HD3 LYS 13 - HE3 LYS 90 far 0 67 0 - 8.0-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 93 0 - 8.1-13.3 HD3 LYS 20 - HE3 LYS 12 far 0 89 0 - 8.2-14.3 HB ILE 52 - HE3 LYS 47 far 0 76 0 - 8.2-11.2 HG3 LYS 20 - HE3 LYS 12 far 0 89 0 - 8.3-16.0 HD3 LYS 90 - HE2 LYS 13 far 0 100 0 - 8.4-13.0 HB ILE 52 - HE2 LYS 47 far 0 76 0 - 8.5-11.4 HG3 LYS 20 - HE2 LYS 13 far 0 89 0 - 8.6-13.7 HD3 LYS 90 - HE3 LYS 24 far 0 100 0 - 8.9-13.3 HB2 LEU 2 - HE3 LYS 47 far 0 95 0 - 9.3-13.4 HG3 LYS 20 - HE3 LYS 13 far 0 89 0 - 9.3-14.0 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 9.6-13.5 HG12 ILE 15 - HE3 LYS 13 far 0 100 0 - 9.7-12.9 HB2 LEU 2 - HE2 LYS 47 far 0 95 0 - 9.7-13.4 HB3 LYS 40 - HE2 LYS 47 far 0 91 0 - 9.9-14.0 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; 6.43 A increased from 6.05 A): 4 out of 13 assignments used, quality = 1.00: * H LYS 24 + HE3 LYS 24 OK 95 100 95 100 2.4-7.1 6386/3.7=94, 1073/4.9=94...(16) H LYS 24 + HE2 LYS 24 OK 95 100 95 100 3.9-7.1 6386/3.7=94, 1073/4.9=94...(15) H LEU 14 + HE2 LYS 13 OK 49 91 55 99 5.5-7.5 6191/3.8=74, 6182/7.3=54...(8) H LEU 14 + HE3 LYS 13 OK 31 90 35 99 5.4-7.4 6191/3.8=74, 6182/7.3=54...(8) H GLU 44 - HE3 LYS 47 poor 15 73 20 - 5.9-8.4 H GLU 44 - HE2 LYS 47 far 11 73 15 - 4.8-8.1 H LEU 14 - HE3 LYS 12 far 9 90 10 - 6.0-9.2 HD22 ASN 10 - HE3 LYS 12 far 7 73 10 - 6.0-12.0 H GLU 88 - HE3 LYS 90 far 0 68 0 - 6.9-7.6 H LEU 14 - HE3 LYS 90 far 0 56 0 - 8.7-11.0 H ILE 76 - HE3 LYS 73 far 0 85 0 - 8.8-11.1 H ILE 76 - HE2 LYS 73 far 0 92 0 - 9.0-10.8 H LYS 24 - HE3 LYS 90 far 0 68 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 1141 from cnoeabs.peaks (1.96, 2.96, 41.80 ppm; 3.35 A): 8 out of 47 assignments used, quality = 1.00: HB2 LYS 47 + HE3 LYS 47 OK 80 95 85 99 2.0-4.7 4.9=33, 1.8/2155=22...(102) HB2 LYS 47 + HE2 LYS 47 OK 66 95 70 99 2.0-4.6 4.9=33, 1.8/2154=21...(102) HB3 LYS 73 + HE2 LYS 73 OK 56 96 60 98 2.5-4.3 4.9=32, 3.0/3235=10...(101) HB2 GLU 17 + HE3 LYS 90 OK 46 56 90 92 2.1-4.1 3.0/9045=31...(18) HB2 LYS 73 + HE2 LYS 73 OK 38 96 40 99 2.3-5.3 4.9=32, 7205/7.0=11...(114) HB3 LYS 47 + HE3 LYS 47 OK 27 55 50 99 2.1-4.8 4.9=33, 3.0/2131=13...(113) HB3 LYS 73 + HE3 LYS 73 OK 26 89 30 98 2.4-4.5 4.9=32, 1082/1.8=10...(105) HB3 LYS 24 + HE3 LYS 24 OK 25 100 25 98 2.2-5.5 4.9=31, ~12306=26...(94) HB3 LYS 24 - HE2 LYS 24 poor 20 100 20 98 2.6-4.8 4.9=31, 3.0/12306=28...(93) HB3 LYS 47 - HE2 LYS 47 poor 19 55 35 - 2.7-5.0 HB2 LYS 73 - HE3 LYS 73 poor 18 90 20 - 2.7-5.1 HB2 LYS 24 - HE2 LYS 24 far 15 100 15 - 3.1-5.1 ! HB2 LYS 24 - HE3 LYS 24 far 10 100 10 - 2.4-5.0 HB3 GLU 44 - HE2 LYS 47 far 3 55 5 - 3.5-7.9 HB2 ARG 46 - HE3 LYS 47 far 0 92 0 - 4.1-9.5 QE MET 74 - HE3 LYS 73 far 0 48 0 - 4.1-9.4 HB2 GLU 44 - HE2 LYS 47 far 0 55 0 - 4.2-8.6 HB3 GLU 44 - HE3 LYS 47 far 0 55 0 - 4.4-8.1 HB3 LYS 20 - HE2 LYS 24 far 0 81 0 - 4.4-9.6 HB3 LYS 20 - HE3 LYS 24 far 0 81 0 - 4.6-9.9 HB3 ARG 46 - HE3 LYS 47 far 0 95 0 - 4.6-8.3 HB3 MET 74 - HE3 LYS 73 far 0 90 0 - 5.1-10.0 HB3 LYS 20 - HE3 LYS 90 far 0 48 0 - 5.2-7.6 QE MET 74 - HE2 LYS 73 far 0 54 0 - 5.6-9.8 HB2 ARG 46 - HE2 LYS 47 far 0 92 0 - 5.6-9.7 HB2 GLU 44 - HE3 LYS 47 far 0 55 0 - 5.8-8.9 HB3 ARG 46 - HE2 LYS 47 far 0 95 0 - 6.1-8.5 HB3 MET 74 - HE2 LYS 73 far 0 97 0 - 6.5-9.9 HB3 ARG 19 - HE3 LYS 12 far 0 71 0 - 6.6-11.9 HB2 GLU 17 - HE3 LYS 13 far 0 90 0 - 6.7-11.6 HB2 GLU 17 - HE2 LYS 13 far 0 91 0 - 7.5-11.7 QE MET 74 - HE2 LYS 47 far 0 53 0 - 7.9-11.0 QE MET 74 - HE3 LYS 47 far 0 53 0 - 7.9-11.0 HB3 ARG 19 - HE3 LYS 24 far 0 71 0 - 8.2-13.6 HB2 GLU 17 - HE3 LYS 24 far 0 91 0 - 8.3-12.9 HB2 LYS 24 - HE3 LYS 90 far 0 68 0 - 8.4-9.8 HB3 ARG 19 - HE3 LYS 90 far 0 41 0 - 8.8-10.2 HB2 GLU 17 - HE2 LYS 24 far 0 91 0 - 9.0-12.7 HB3 ARG 19 - HE2 LYS 24 far 0 71 0 - 9.2-13.7 HB3 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.3-10.9 HB3 ARG 19 - HE2 LYS 13 far 0 71 0 - 9.4-14.5 HB3 LYS 20 - HE2 LYS 13 far 0 80 0 - 9.4-14.2 HG3 GLU 88 - HE3 LYS 90 far 0 58 0 - 9.5-10.9 HB3 LYS 20 - HE3 LYS 13 far 0 80 0 - 9.6-14.5 HB3 ARG 19 - HE3 LYS 13 far 0 71 0 - 9.8-14.5 HB3 LYS 20 - HE3 LYS 12 far 0 80 0 - 9.9-16.5 HB2 GLU 17 - HE3 LYS 12 far 0 90 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 1142 from cnoeabs.peaks (1.96, 2.96, 41.80 ppm; 3.35 A): 8 out of 47 assignments used, quality = 1.00: HB2 LYS 47 + HE3 LYS 47 OK 80 95 85 99 2.0-4.7 4.9=33, 1.8/2155=22...(102) HB2 LYS 47 + HE2 LYS 47 OK 66 95 70 99 2.0-4.6 4.9=33, 1.8/2154=21...(102) HB3 LYS 73 + HE2 LYS 73 OK 56 96 60 98 2.5-4.3 4.9=32, 3.0/3235=10...(101) HB2 GLU 17 + HE3 LYS 90 OK 46 56 90 92 2.1-4.1 3.0/9045=31...(18) HB2 LYS 73 + HE2 LYS 73 OK 38 96 40 99 2.3-5.3 4.9=32, 7205/7.0=11...(114) HB3 LYS 47 + HE3 LYS 47 OK 27 55 50 99 2.1-4.8 4.9=33, 3.0/2131=13...(113) HB3 LYS 73 + HE3 LYS 73 OK 26 89 30 98 2.4-4.5 4.9=32, 1082/1.8=10...(105) * HB3 LYS 24 + HE3 LYS 24 OK 25 100 25 98 2.2-5.5 4.9=31, ~12306=26...(94) HB3 LYS 24 - HE2 LYS 24 poor 20 100 20 98 2.6-4.8 4.9=31, 3.0/12306=28...(93) HB3 LYS 47 - HE2 LYS 47 poor 19 55 35 - 2.7-5.0 HB2 LYS 73 - HE3 LYS 73 poor 18 90 20 - 2.7-5.1 HB2 LYS 24 - HE2 LYS 24 far 15 100 15 - 3.1-5.1 HB2 LYS 24 - HE3 LYS 24 far 10 100 10 - 2.4-5.0 HB3 GLU 44 - HE2 LYS 47 far 3 55 5 - 3.5-7.9 HB2 ARG 46 - HE3 LYS 47 far 0 92 0 - 4.1-9.5 QE MET 74 - HE3 LYS 73 far 0 48 0 - 4.1-9.4 HB2 GLU 44 - HE2 LYS 47 far 0 55 0 - 4.2-8.6 HB3 GLU 44 - HE3 LYS 47 far 0 55 0 - 4.4-8.1 HB3 LYS 20 - HE2 LYS 24 far 0 81 0 - 4.4-9.6 HB3 LYS 20 - HE3 LYS 24 far 0 81 0 - 4.6-9.9 HB3 ARG 46 - HE3 LYS 47 far 0 95 0 - 4.6-8.3 HB3 MET 74 - HE3 LYS 73 far 0 90 0 - 5.1-10.0 HB3 LYS 20 - HE3 LYS 90 far 0 48 0 - 5.2-7.6 QE MET 74 - HE2 LYS 73 far 0 54 0 - 5.6-9.8 HB2 ARG 46 - HE2 LYS 47 far 0 92 0 - 5.6-9.7 HB2 GLU 44 - HE3 LYS 47 far 0 55 0 - 5.8-8.9 HB3 ARG 46 - HE2 LYS 47 far 0 95 0 - 6.1-8.5 HB3 MET 74 - HE2 LYS 73 far 0 97 0 - 6.5-9.9 HB3 ARG 19 - HE3 LYS 12 far 0 71 0 - 6.6-11.9 HB2 GLU 17 - HE3 LYS 13 far 0 90 0 - 6.7-11.6 HB2 GLU 17 - HE2 LYS 13 far 0 91 0 - 7.5-11.7 QE MET 74 - HE2 LYS 47 far 0 53 0 - 7.9-11.0 QE MET 74 - HE3 LYS 47 far 0 53 0 - 7.9-11.0 HB3 ARG 19 - HE3 LYS 24 far 0 71 0 - 8.2-13.6 HB2 GLU 17 - HE3 LYS 24 far 0 91 0 - 8.3-12.9 HB2 LYS 24 - HE3 LYS 90 far 0 68 0 - 8.4-9.8 HB3 ARG 19 - HE3 LYS 90 far 0 41 0 - 8.8-10.2 HB2 GLU 17 - HE2 LYS 24 far 0 91 0 - 9.0-12.7 HB3 ARG 19 - HE2 LYS 24 far 0 71 0 - 9.2-13.7 HB3 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.3-10.9 HB3 ARG 19 - HE2 LYS 13 far 0 71 0 - 9.4-14.5 HB3 LYS 20 - HE2 LYS 13 far 0 80 0 - 9.4-14.2 HG3 GLU 88 - HE3 LYS 90 far 0 58 0 - 9.5-10.9 HB3 LYS 20 - HE3 LYS 13 far 0 80 0 - 9.6-14.5 HB3 ARG 19 - HE3 LYS 13 far 0 71 0 - 9.8-14.5 HB3 LYS 20 - HE3 LYS 12 far 0 80 0 - 9.9-16.5 HB2 GLU 17 - HE3 LYS 12 far 0 90 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 1143 from cnoeabs.peaks (1.59, 2.96, 41.80 ppm; 2.82 A): 7 out of 29 assignments used, quality = 0.97: HG3 LYS 90 + HE3 LYS 90 OK 56 68 100 82 2.2-2.9 3.8=41, 1.8/4005=19...(15) HG2 LYS 24 + HE2 LYS 24 OK 55 100 60 91 2.3-3.8 3.7=43, 1121/3.0=10...(69) HG3 LYS 12 + HE3 LYS 12 OK 44 99 50 89 2.2-3.9 4.0=36, ~463=28, ~423=25...(29) * HG2 LYS 24 + HE3 LYS 24 OK 37 100 40 91 2.1-3.9 3.7=43, 1121/3.0=10...(69) HG3 LYS 47 + HE3 LYS 47 OK 36 58 65 94 2.2-4.2 3.8=42, 3.0/2154=12...(71) HG3 LYS 73 + HE3 LYS 73 OK 24 86 30 93 2.1-4.2 4.0=35, 3298/3.0=17...(72) HG3 LYS 73 + HE2 LYS 73 OK 21 93 25 92 2.1-4.2 4.0=35, 3298/3.0=17...(72) HG3 LYS 47 - HE2 LYS 47 far 9 58 15 - 2.5-3.9 HG2 ARG 19 - HE3 LYS 12 far 0 100 0 - 5.2-12.1 HD2 LYS 94 - HE3 LYS 90 far 0 35 0 - 5.8-11.6 HD2 LYS 94 - HE2 LYS 24 far 0 61 0 - 5.9-11.9 HG3 LYS 12 - HE3 LYS 13 far 0 99 0 - 6.0-10.1 HG3 LYS 90 - HE3 LYS 24 far 0 100 0 - 6.3-10.6 HD2 LYS 94 - HE3 LYS 24 far 0 61 0 - 6.5-12.2 HD3 LYS 94 - HE3 LYS 90 far 0 64 0 - 6.8-11.7 HG3 LYS 90 - HE2 LYS 24 far 0 100 0 - 7.0-10.9 HD2 LYS 66 - HE3 LYS 73 far 0 84 0 - 7.1-11.8 HD2 LYS 66 - HE2 LYS 73 far 0 91 0 - 7.2-11.5 HG3 LYS 12 - HE2 LYS 13 far 0 99 0 - 7.3-10.3 HD3 LYS 94 - HE2 LYS 24 far 0 98 0 - 7.4-13.6 HD3 LYS 94 - HE3 LYS 24 far 0 98 0 - 7.5-13.8 HG2 LYS 33 - HE3 LYS 12 far 0 61 0 - 8.1-11.7 HB3 LEU 29 - HE3 LYS 24 far 0 99 0 - 8.9-14.2 HG LEU 27 - HE3 LYS 24 far 0 98 0 - 9.0-12.2 HG2 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.0-11.8 HG3 LYS 90 - HE3 LYS 13 far 0 100 0 - 9.3-14.3 HG2 ARG 19 - HE3 LYS 90 far 0 68 0 - 9.3-11.7 HG2 ARG 19 - HE3 LYS 24 far 0 100 0 - 9.7-15.6 HG LEU 27 - HE2 LYS 24 far 0 98 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 1144 from cnoeabs.peaks (1.51, 2.96, 41.80 ppm; 3.75 A increased from 3.16 A): 8 out of 22 assignments used, quality = 1.00: HG3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.2-4.0 3.7=100 * HG3 LYS 24 + HE3 LYS 24 OK 95 100 95 100 2.3-4.2 3.7=100 HG3 LYS 13 + HE2 LYS 13 OK 93 98 95 100 2.3-4.1 3.8=94, 486/6.0=23...(73) HG3 LYS 13 + HE3 LYS 13 OK 93 98 95 100 2.1-4.2 3.8=94, 486/6.0=23...(72) HG2 LYS 47 + HE3 LYS 47 OK 88 88 100 100 2.4-3.9 3.8=98, 3.0/2154=23...(121) HG2 LYS 73 + HE2 LYS 73 OK 81 90 90 100 2.1-4.2 4.0=82, ~3298=16...(110) HG2 LYS 73 + HE3 LYS 73 OK 74 83 90 100 2.2-4.1 4.0=82, ~3298=16...(109) HG2 LYS 47 + HE2 LYS 47 OK 61 88 70 100 2.3-4.2 3.8=98, 3.0/2154=22...(126) HG3 LYS 13 - HE3 LYS 12 far 0 98 0 - 5.4-9.4 HB2 LEU 14 - HE3 LYS 13 far 0 96 0 - 6.4-9.1 HB2 ARG 91 - HE3 LYS 90 far 0 55 0 - 6.4-8.4 HB2 LEU 14 - HE2 LYS 13 far 0 97 0 - 6.9-9.5 HG3 LYS 33 - HE3 LYS 12 far 0 100 0 - 7.4-10.5 HB2 LEU 14 - HE3 LYS 12 far 0 97 0 - 8.3-11.4 HB2 LEU 14 - HE3 LYS 90 far 0 63 0 - 8.5-10.0 HG3 LYS 66 - HE2 LYS 73 far 0 91 0 - 8.6-12.8 HG3 LYS 66 - HE3 LYS 73 far 0 84 0 - 8.7-13.0 HG2 LYS 66 - HE2 LYS 73 far 0 89 0 - 8.8-13.2 HG3 LYS 24 - HE3 LYS 90 far 0 68 0 - 8.9-11.4 HB ILE 7 - HE3 LYS 12 far 0 97 0 - 8.9-13.3 HG2 LYS 66 - HE3 LYS 73 far 0 82 0 - 9.0-13.0 HG LEU 2 - HE3 LYS 47 far 0 94 0 - 10.0-13.9 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 73 assignments used, quality = 1.00: HD3 LYS 13 + HE2 LYS 13 OK 78 100 85 92 2.3-3.0 2.9=72, 3.0/474=9...(52) * HD2 LYS 24 + HE3 LYS 24 OK 77 100 85 90 2.3-3.0 3.0=69, 1.8/559=5...(50) HD3 LYS 47 + HE2 LYS 47 OK 74 90 90 91 2.3-3.0 3.0=69, 3.9/2155=8...(59) HD2 LYS 12 + HE3 LYS 12 OK 66 100 75 88 2.3-3.0 3.0=69, ~463=15, ~423=14...(24) HD2 LYS 13 + HE3 LYS 13 OK 60 100 65 92 2.3-3.0 2.9=72, 3.0/474=10...(52) HD3 LYS 12 + HE3 LYS 12 OK 57 100 65 88 2.3-3.0 3.0=69, ~463=15, ~423=14...(24) HD3 LYS 24 + HE2 LYS 24 OK 54 100 60 90 2.3-3.0 3.0=69, 1121/3.7=6...(50) HD3 LYS 90 + HE3 LYS 90 OK 54 68 90 88 2.2-3.0 3.0=70, 3981/4.8=15...(19) HD2 LYS 47 + HE3 LYS 47 OK 53 90 65 90 2.3-3.0 3.0=69, 3.9/2154=8...(58) HD3 LYS 24 + HE3 LYS 24 OK 50 100 55 90 2.4-3.0 3.0=69, 1121/3.7=6...(50) HD2 LYS 24 + HE2 LYS 24 OK 50 100 55 90 2.4-3.0 3.0=69, 3.0/1093=5...(50) HD2 LYS 13 + HE2 LYS 13 OK 46 100 50 92 2.5-3.0 2.9=72, 3.0/474=9...(52) HD3 LYS 13 + HE3 LYS 13 OK 46 99 50 92 2.5-3.0 2.9=72, 3.0/474=10...(52) HD2 LYS 73 + HE3 LYS 73 OK 44 67 75 88 2.3-3.0 3.0=68, 3298/4.0=6...(47) HD3 LYS 73 + HE2 LYS 73 OK 44 71 70 88 2.3-3.0 3.0=68, 3298/4.0=7...(51) HD2 LYS 47 + HE2 LYS 47 OK 41 90 50 91 2.3-3.0 3.0=69, 2195/3.8=8...(59) HD3 LYS 47 + HE3 LYS 47 OK 37 90 45 90 2.3-3.0 3.0=69, 3.9/2154=8...(59) HD2 LYS 73 + HE2 LYS 73 OK 36 74 55 87 2.5-3.0 3.0=68, 3298/4.0=6...(47) HD3 LYS 73 + HE3 LYS 73 OK 31 64 55 88 2.5-3.0 3.0=68, 3298/4.0=7...(51) HB ILE 15 - HE3 LYS 12 far 3 69 5 - 2.2-6.9 HG LEU 70 - HE3 LYS 73 far 0 90 0 - 3.5-8.3 HG LEU 70 - HE2 LYS 73 far 0 96 0 - 3.8-8.4 HG2 PRO 86 - HE3 LYS 13 far 0 100 0 - 4.2-9.0 HB3 LEU 70 - HE3 LYS 73 far 0 78 0 - 4.4-8.9 HD3 LYS 20 - HE3 LYS 90 far 0 56 0 - 4.4-8.4 HG12 ILE 15 - HE3 LYS 12 far 0 100 0 - 4.6-8.2 HB3 LEU 70 - HE2 LYS 73 far 0 86 0 - 4.6-9.1 HG3 LYS 20 - HE3 LYS 90 far 0 56 0 - 4.9-8.9 HG2 PRO 86 - HE2 LYS 13 far 0 100 0 - 5.0-9.6 HG3 LYS 20 - HE2 LYS 24 far 0 91 0 - 5.4-11.6 HG2 PRO 86 - HE3 LYS 90 far 0 68 0 - 5.5-7.5 HD2 LYS 20 - HE3 LYS 90 far 0 59 0 - 5.6-8.5 HD3 LYS 20 - HE3 LYS 24 far 0 91 0 - 5.8-12.5 HD3 LYS 33 - HE3 LYS 12 far 0 78 0 - 5.8-9.2 HD3 LYS 20 - HE2 LYS 24 far 0 91 0 - 6.1-12.3 HG3 LYS 20 - HE3 LYS 24 far 0 91 0 - 6.2-11.6 HD3 LYS 12 - HE3 LYS 13 far 0 100 0 - 6.5-10.7 HD2 LYS 20 - HE2 LYS 13 far 0 94 0 - 6.5-12.1 HD3 LYS 66 - HE2 LYS 73 far 0 96 0 - 6.6-10.6 HD2 LYS 20 - HE3 LYS 24 far 0 94 0 - 6.9-12.0 HD2 LYS 33 - HE3 LYS 12 far 0 78 0 - 6.9-10.5 HD3 LYS 66 - HE3 LYS 73 far 0 89 0 - 6.9-10.7 HD2 LYS 24 - HE3 LYS 90 far 0 68 0 - 7.1-11.6 HB ILE 15 - HE3 LYS 13 far 0 69 0 - 7.1-10.8 HD2 LYS 12 - HE3 LYS 13 far 0 100 0 - 7.1-11.2 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.2-12.0 HD3 LYS 24 - HE3 LYS 90 far 0 68 0 - 7.3-10.7 HD3 LYS 13 - HE3 LYS 12 far 0 99 0 - 7.3-11.8 HB3 ARG 91 - HE3 LYS 90 far 0 63 0 - 7.4-8.9 HD3 LYS 90 - HE3 LYS 13 far 0 100 0 - 7.4-13.8 HB ILE 15 - HE2 LYS 13 far 0 69 0 - 7.4-11.0 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.5-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 94 0 - 7.5-11.7 HD3 LYS 20 - HE2 LYS 13 far 0 91 0 - 7.5-13.3 HD2 LYS 20 - HE3 LYS 13 far 0 93 0 - 7.5-11.8 HD3 LYS 20 - HE3 LYS 13 far 0 90 0 - 7.6-13.1 HD2 LYS 13 - HE3 LYS 12 far 0 100 0 - 7.7-11.9 HD2 LYS 13 - HE3 LYS 90 far 0 67 0 - 7.7-13.0 HD3 LYS 13 - HE3 LYS 90 far 0 67 0 - 8.0-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 94 0 - 8.1-13.3 HD3 LYS 20 - HE3 LYS 12 far 0 90 0 - 8.2-14.3 HB ILE 52 - HE3 LYS 47 far 0 78 0 - 8.2-11.2 HG3 LYS 20 - HE3 LYS 12 far 0 90 0 - 8.3-16.0 HD3 LYS 90 - HE2 LYS 13 far 0 100 0 - 8.4-13.0 HB ILE 52 - HE2 LYS 47 far 0 78 0 - 8.5-11.4 HG3 LYS 20 - HE2 LYS 13 far 0 91 0 - 8.6-13.7 HD3 LYS 90 - HE3 LYS 24 far 0 100 0 - 8.9-13.3 HB2 LEU 2 - HE3 LYS 47 far 0 95 0 - 9.3-13.4 HG3 LYS 20 - HE3 LYS 13 far 0 90 0 - 9.3-14.0 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 9.6-13.5 HG12 ILE 15 - HE3 LYS 13 far 0 100 0 - 9.7-12.9 HB2 LEU 2 - HE2 LYS 47 far 0 95 0 - 9.7-13.4 HB3 LYS 40 - HE2 LYS 47 far 0 92 0 - 9.9-14.0 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 73 assignments used, quality = 1.00: HD3 LYS 13 + HE2 LYS 13 OK 78 100 85 92 2.3-3.0 2.9=72, 3.0/474=9...(52) HD2 LYS 24 + HE3 LYS 24 OK 77 100 85 90 2.3-3.0 3.0=69, 1.8/559=5...(50) HD3 LYS 47 + HE2 LYS 47 OK 73 90 90 91 2.3-3.0 3.0=69, 3.9/2155=8...(59) HD2 LYS 12 + HE3 LYS 12 OK 66 100 75 88 2.3-3.0 3.0=69, ~463=15, ~423=14...(24) HD2 LYS 13 + HE3 LYS 13 OK 60 100 65 92 2.3-3.0 2.9=72, 3.0/474=10...(52) HD3 LYS 12 + HE3 LYS 12 OK 57 100 65 88 2.3-3.0 3.0=69, ~463=15, ~423=14...(24) HD3 LYS 24 + HE2 LYS 24 OK 54 100 60 90 2.3-3.0 3.0=69, 1121/3.7=6...(50) HD3 LYS 90 + HE3 LYS 90 OK 54 68 90 88 2.2-3.0 3.0=70, 3981/4.8=15...(19) HD2 LYS 47 + HE3 LYS 47 OK 52 89 65 90 2.3-3.0 3.0=69, 3.9/2154=8...(58) * HD3 LYS 24 + HE3 LYS 24 OK 50 100 55 90 2.4-3.0 3.0=69, 1121/3.7=6...(50) HD2 LYS 24 + HE2 LYS 24 OK 50 100 55 90 2.4-3.0 3.0=69, 3.0/1092=5...(50) HD2 LYS 13 + HE2 LYS 13 OK 46 100 50 92 2.5-3.0 2.9=72, 3.0/474=9...(52) HD3 LYS 13 + HE3 LYS 13 OK 46 99 50 92 2.5-3.0 2.9=72, 3.0/474=10...(52) HD2 LYS 73 + HE3 LYS 73 OK 43 65 75 88 2.3-3.0 3.0=68, 3298/4.0=6...(47) HD3 LYS 73 + HE2 LYS 73 OK 42 69 70 88 2.3-3.0 3.0=68, 3298/4.0=7...(51) HD2 LYS 47 + HE2 LYS 47 OK 40 89 50 91 2.3-3.0 3.0=69, 2195/3.8=8...(59) HD3 LYS 47 + HE3 LYS 47 OK 36 90 45 90 2.3-3.0 3.0=69, 3.9/2154=8...(59) HD2 LYS 73 + HE2 LYS 73 OK 35 72 55 87 2.5-3.0 3.0=68, 3298/4.0=6...(47) HD3 LYS 73 + HE3 LYS 73 OK 30 62 55 88 2.5-3.0 3.0=68, 3298/4.0=7...(51) HB ILE 15 - HE3 LYS 12 far 4 71 5 - 2.2-6.9 HG LEU 70 - HE3 LYS 73 far 0 90 0 - 3.5-8.3 HG LEU 70 - HE2 LYS 73 far 0 96 0 - 3.8-8.4 HG2 PRO 86 - HE3 LYS 13 far 0 100 0 - 4.2-9.0 HB3 LEU 70 - HE3 LYS 73 far 0 80 0 - 4.4-8.9 HD3 LYS 20 - HE3 LYS 90 far 0 55 0 - 4.4-8.4 HG12 ILE 15 - HE3 LYS 12 far 0 100 0 - 4.6-8.2 HB3 LEU 70 - HE2 LYS 73 far 0 87 0 - 4.6-9.1 HG3 LYS 20 - HE3 LYS 90 far 0 55 0 - 4.9-8.9 HG2 PRO 86 - HE2 LYS 13 far 0 100 0 - 5.0-9.6 HG3 LYS 20 - HE2 LYS 24 far 0 90 0 - 5.4-11.6 HG2 PRO 86 - HE3 LYS 90 far 0 68 0 - 5.5-7.5 HD2 LYS 20 - HE3 LYS 90 far 0 58 0 - 5.6-8.5 HD3 LYS 20 - HE3 LYS 24 far 0 90 0 - 5.8-12.5 HD3 LYS 33 - HE3 LYS 12 far 0 80 0 - 5.8-9.2 HD3 LYS 20 - HE2 LYS 24 far 0 90 0 - 6.1-12.3 HG3 LYS 20 - HE3 LYS 24 far 0 90 0 - 6.2-11.6 HD3 LYS 12 - HE3 LYS 13 far 0 100 0 - 6.5-10.7 HD2 LYS 20 - HE2 LYS 13 far 0 93 0 - 6.5-12.1 HD3 LYS 66 - HE2 LYS 73 far 0 96 0 - 6.6-10.6 HD2 LYS 20 - HE3 LYS 24 far 0 93 0 - 6.9-12.0 HD2 LYS 33 - HE3 LYS 12 far 0 80 0 - 6.9-10.5 HD3 LYS 66 - HE3 LYS 73 far 0 90 0 - 6.9-10.7 HD2 LYS 24 - HE3 LYS 90 far 0 68 0 - 7.1-11.6 HB ILE 15 - HE3 LYS 13 far 0 71 0 - 7.1-10.8 HD2 LYS 12 - HE3 LYS 13 far 0 100 0 - 7.1-11.2 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.2-12.0 HD3 LYS 24 - HE3 LYS 90 far 0 68 0 - 7.3-10.7 HD3 LYS 13 - HE3 LYS 12 far 0 100 0 - 7.3-11.8 HB3 ARG 91 - HE3 LYS 90 far 0 63 0 - 7.4-8.9 HD3 LYS 90 - HE3 LYS 13 far 0 100 0 - 7.4-13.8 HB ILE 15 - HE2 LYS 13 far 0 71 0 - 7.4-11.0 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.5-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 93 0 - 7.5-11.7 HD3 LYS 20 - HE2 LYS 13 far 0 89 0 - 7.5-13.3 HD2 LYS 20 - HE3 LYS 13 far 0 92 0 - 7.5-11.8 HD3 LYS 20 - HE3 LYS 13 far 0 89 0 - 7.6-13.1 HD2 LYS 13 - HE3 LYS 12 far 0 100 0 - 7.7-11.9 HD2 LYS 13 - HE3 LYS 90 far 0 68 0 - 7.7-13.0 HD3 LYS 13 - HE3 LYS 90 far 0 67 0 - 8.0-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 93 0 - 8.1-13.3 HD3 LYS 20 - HE3 LYS 12 far 0 89 0 - 8.2-14.3 HB ILE 52 - HE3 LYS 47 far 0 76 0 - 8.2-11.2 HG3 LYS 20 - HE3 LYS 12 far 0 89 0 - 8.3-16.0 HD3 LYS 90 - HE2 LYS 13 far 0 100 0 - 8.4-13.0 HB ILE 52 - HE2 LYS 47 far 0 76 0 - 8.5-11.4 HG3 LYS 20 - HE2 LYS 13 far 0 89 0 - 8.6-13.7 HD3 LYS 90 - HE3 LYS 24 far 0 100 0 - 8.9-13.3 HB2 LEU 2 - HE3 LYS 47 far 0 95 0 - 9.3-13.4 HG3 LYS 20 - HE3 LYS 13 far 0 89 0 - 9.3-14.0 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 9.6-13.5 HG12 ILE 15 - HE3 LYS 13 far 0 100 0 - 9.7-12.9 HB2 LEU 2 - HE2 LYS 47 far 0 95 0 - 9.7-13.4 HB3 LYS 40 - HE2 LYS 47 far 0 91 0 - 9.9-14.0 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 - 8.6-9.2 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 HB3 LEU 27 - HA ALA 25 far 0 100 0 - 7.0-7.3 HG2 LYS 94 - HA ALA 25 far 0 100 0 - 7.6-9.2 Violated in 0 structures by 0.00 A. Peak 1153 from cnoeabs.peaks (7.84, 4.41, 51.21 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 26 + HA ALA 25 OK 100 100 100 100 3.2-3.3 3.6=100 Violated in 0 structures by 0.00 A. Peak 1154 from cnoeabs.peaks (3.83, 1.34, 18.52 ppm; 3.32 A): 2 out of 7 assignments used, quality = 0.98: * HA ALA 22 + QB ALA 25 OK 97 100 100 97 2.3-3.2 1006=55, 6394/6408=44...(16) HA LYS 94 + QB ALA 25 OK 36 59 100 61 3.0-3.6 4174=17, 7566/10063=14...(8) HA SER 97 - QB ALA 25 far 0 99 0 - 3.8-4.4 HA2 GLY 101 - QB ALA 25 far 0 59 0 - 6.6-11.5 HA ARG 19 - QB ALA 25 far 0 95 0 - 7.0-7.8 HA2 GLY 100 - QB ALA 25 far 0 59 0 - 7.5-9.2 HB3 SER 102 - QB ALA 25 far 0 96 0 - 7.7-14.7 Violated in 0 structures by 0.00 A. Peak 1155 from cnoeabs.peaks (7.71, 1.34, 18.52 ppm; 3.03 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 25 + QB ALA 25 OK 100 100 100 100 2.1-2.4 2.9=100 H MET 21 - QB ALA 25 far 0 84 0 - 6.2-6.7 Violated in 0 structures by 0.00 A. Peak 1156 from cnoeabs.peaks (4.41, 1.34, 18.52 ppm; 2.80 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 25 + QB ALA 25 OK 100 100 100 100 2.1-2.1 2.1=100 HA MET 21 - QB ALA 25 far 0 100 0 - 4.4-5.1 HA SER 102 - QB ALA 25 far 0 71 0 - 9.3-14.4 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 3.2-3.4 3.6=100 H LEU 3 - QB ALA 25 far 0 100 0 - 7.5-8.2 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 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 1160 from cnoeabs.peaks (4.36, 4.36, 54.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 26 + HA ASN 26 OK 100 100 - 100 Peak 1161 from cnoeabs.peaks (2.74, 4.36, 54.31 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 26 + HA ASN 26 OK 100 100 100 100 2.6-3.0 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 2 assignments used, quality = 1.00: * HB3 ASN 26 + HA ASN 26 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 HIS 106 - HA ASN 26 far 0 98 0 - 6.7-31.3 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 2.6-2.9 6434=100, 6419/6414=67...(8) H GLU 23 - HA ASN 26 far 0 68 0 - 6.0-6.5 H SER 97 - HA ASN 26 far 0 85 0 - 9.7-10.4 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 3.0-3.8 3.8=100 H LEU 3 - HB2 ASN 26 far 0 100 0 - 7.6-9.5 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 2 assignments used, quality = 1.00: * HA ASN 26 + HB2 ASN 26 OK 100 100 100 100 2.6-3.0 3.0=100 HA SER 102 - HB2 ASN 26 far 0 88 0 - 9.1-18.7 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 4 assignments used, quality = 1.00: * HB3 ASN 26 + HB2 ASN 26 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 106 - HB2 ASN 26 far 0 98 0 - 5.2-30.0 HB3 HIS 105 - HB2 ASN 26 far 0 100 0 - 7.2-28.7 HB2 PHE 96 - HB2 ASN 26 far 0 73 0 - 9.8-11.9 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 2.3-3.7 3.5=100 Violated in 0 structures by 0.00 A. Peak 1171 from cnoeabs.peaks (7.47, 2.74, 36.97 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 26 + HB2 ASN 26 OK 100 100 100 100 2.1-3.5 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 4 assignments used, quality = 1.00: * H LEU 27 + HB2 ASN 26 OK 100 100 100 100 4.2-4.6 4.7=100 H GLU 23 - HB2 ASN 26 far 0 68 0 - 7.9-8.7 H SER 97 - HB2 ASN 26 far 0 85 0 - 8.6-10.1 H GLU 104 - HB2 ASN 26 far 0 85 0 - 9.1-21.9 Violated in 0 structures by 0.00 A. Peak 1173 from cnoeabs.peaks (7.84, 3.07, 36.97 ppm; 4.16 A increased from 3.92 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 26 + HB3 ASN 26 OK 100 100 100 100 3.7-4.1 3.8=100 H LEU 3 - HB3 ASN 26 far 0 100 0 - 7.6-8.8 Violated in 0 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 2.8-4.1 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 2.9-3.7 3.5=100 Violated in 0 structures by 0.00 A. Peak 1179 from cnoeabs.peaks (8.24, 3.07, 36.97 ppm; 4.69 A increased from 4.41 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 27 + HB3 ASN 26 OK 100 100 100 100 4.1-4.5 4.7=100 H GLU 23 - HB3 ASN 26 far 0 68 0 - 8.3-8.8 H SER 97 - HB3 ASN 26 far 0 85 0 - 8.9-10.9 H GLU 104 - HB3 ASN 26 far 0 85 0 - 9.8-22.7 Violated in 0 structures by 0.00 A. Peak 1180 from cnoeabs.peaks (8.24, 4.65, 52.92 ppm; 4.10 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 27 + HA LEU 27 OK 100 100 100 100 2.9-2.9 3.0=100 H GLU 23 - HA LEU 27 far 0 68 0 - 7.4-8.0 H SER 97 - HA LEU 27 far 0 85 0 - 8.0-9.1 H PHE 96 - HA LEU 27 far 0 79 0 - 9.9-11.1 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): 1 out of 5 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 far 0 90 0 - 4.9-5.6 HG13 ILE 52 - HA LEU 27 far 0 100 0 - 8.1-9.3 HG LEU 29 - HA LEU 27 far 0 90 0 - 8.4-8.9 HG3 LYS 53 - HA LEU 27 far 0 99 0 - 9.5-10.5 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 - 4.7-5.0 HB3 LEU 2 - HA LEU 27 far 0 99 0 - 6.9-8.2 HB3 ARG 30 - HA LEU 27 far 0 82 0 - 9.8-10.2 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 3 assignments used, quality = 1.00: * HG LEU 27 + HA LEU 27 OK 100 100 100 100 3.1-3.3 2.1/1185=88, 4.3=84...(14) HB3 GLU 28 + HA LEU 27 OK 42 68 85 73 4.2-4.4 6451/1187=59, 8658=26, ~8661=12 HB3 LEU 29 - HA LEU 27 far 0 100 0 - 6.9-7.3 Violated in 0 structures by 0.00 A. Peak 1185 from cnoeabs.peaks (0.73, 4.65, 52.92 ppm; 3.19 A): 1 out of 7 assignments used, quality = 0.99: * QD2 LEU 27 + HA LEU 27 OK 99 100 100 99 2.0-2.4 1213=81, 1219/1187=35...(17) QD1 LEU 27 - HA LEU 27 far 0 59 0 - 3.8-4.0 QG2 ILE 93 - HA LEU 27 far 0 91 0 - 5.7-6.6 QG1 VAL 5 - HA LEU 27 far 0 100 0 - 7.4-8.0 QD1 ILE 52 - HA LEU 27 far 0 68 0 - 7.8-8.7 QG1 VAL 54 - HA LEU 27 far 0 73 0 - 8.3-9.2 HG13 ILE 93 - HA LEU 27 far 0 97 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 1186 from cnoeabs.peaks (0.77, 4.65, 52.92 ppm; 3.81 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 27 + HA LEU 27 OK 100 100 100 100 3.8-4.0 4.0=85, 2.1/1213=79...(16) QD2 LEU 27 + HA LEU 27 OK 59 59 100 100 2.0-2.4 4.0=85, 2.1/1184=45...(17) QG2 ILE 93 - HA LEU 27 far 0 94 0 - 5.7-6.6 QD1 ILE 93 - HA LEU 27 far 0 100 0 - 8.3-9.2 QG1 VAL 54 - HA LEU 27 far 0 100 0 - 8.3-9.2 HG13 ILE 93 - HA LEU 27 far 0 85 0 - 9.7-10.9 QG2 ILE 52 - HA LEU 27 far 0 99 0 - 9.7-10.8 QD2 LEU 57 - HA LEU 27 far 0 82 0 - 9.8-11.7 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 = 0.98: * H GLU 28 + HA LEU 27 OK 98 100 100 98 2.2-2.3 6448=85, 6450/3.0=35...(10) HE ARG 30 - HA LEU 27 far 0 99 0 - 8.2-12.8 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 2.5-2.9 6440=100, 6442/3.0=68...(14) H GLU 23 - HB2 LEU 27 far 0 68 0 - 5.6-6.4 H SER 97 - HB2 LEU 27 far 0 85 0 - 6.3-7.2 H LYS 94 - HB2 LEU 27 far 0 88 0 - 7.7-8.9 H PHE 96 - HB2 LEU 27 far 0 79 0 - 7.8-8.8 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 - 9.4-10.3 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): 1 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 far 15 100 15 - 3.0-3.5 HB3 LEU 2 - HB2 LEU 27 far 0 99 0 - 8.8-10.1 HB3 ARG 30 - HB2 LEU 27 far 0 82 0 - 8.8-9.9 QB ALA 89 - HB2 LEU 27 far 0 100 0 - 9.2-9.8 HG3 LYS 94 - HB2 LEU 27 far 0 63 0 - 9.4-11.1 HG2 LYS 94 - HB2 LEU 27 far 0 100 0 - 9.9-11.6 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 6 assignments used, quality = 1.00: * HG LEU 27 + HB2 LEU 27 OK 100 100 100 100 2.4-2.5 3.0=100 HB3 LEU 29 - HB2 LEU 27 far 0 100 0 - 5.2-5.7 HB3 GLU 28 - HB2 LEU 27 far 0 68 0 - 5.6-6.2 HG2 ARG 19 - HB2 LEU 27 far 0 98 0 - 9.0-11.5 HG2 LYS 24 - HB2 LEU 27 far 0 98 0 - 9.4-10.7 HD2 LYS 94 - HB2 LEU 27 far 0 84 0 - 10.0-12.4 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 QD1 LEU 27 + HB2 LEU 27 OK 59 59 100 100 2.1-2.5 3.1=100 QG2 ILE 93 + HB2 LEU 27 OK 46 91 65 79 3.2-4.2 10322/8633=31, 10326=30...(8) QG1 VAL 5 - HB2 LEU 27 far 0 100 0 - 5.2-5.8 HG13 ILE 93 - HB2 LEU 27 far 0 97 0 - 6.9-7.9 QG1 VAL 54 - HB2 LEU 27 far 0 73 0 - 7.4-8.5 QD1 ILE 52 - HB2 LEU 27 far 0 68 0 - 8.7-9.8 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 2.1-2.5 3.1=100 QD2 LEU 27 + HB2 LEU 27 OK 59 59 100 100 3.2-3.2 3.1=100 QG2 ILE 93 + HB2 LEU 27 OK 41 94 55 79 3.2-4.2 10322/8633=30, 10326=29...(8) QD1 ILE 93 - HB2 LEU 27 far 0 100 0 - 5.8-6.7 HG13 ILE 93 - HB2 LEU 27 far 0 85 0 - 6.9-7.9 QG1 VAL 54 - HB2 LEU 27 far 0 100 0 - 7.4-8.5 QD2 LEU 57 - HB2 LEU 27 far 0 82 0 - 7.9-9.5 QG2 ILE 7 - HB2 LEU 27 far 0 77 0 - 9.4-9.8 QD1 LEU 6 - HB2 LEU 27 far 0 100 0 - 9.4-10.2 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 3.5-4.2 6449=91, 6450/1.8=81...(10) HE ARG 30 - HB2 LEU 27 far 0 99 0 - 9.2-12.6 H LYS 20 - HB2 LEU 27 far 0 100 0 - 9.6-10.4 H GLU 99 - HB2 LEU 27 far 0 100 0 - 9.9-10.9 Violated in 4 structures by 0.01 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 SER 97 - HB3 LEU 27 far 0 85 0 - 6.5-7.5 H GLU 23 - HB3 LEU 27 far 0 68 0 - 7.1-8.1 H PHE 96 - HB3 LEU 27 far 0 79 0 - 8.0-9.2 H LYS 94 - HB3 LEU 27 far 0 88 0 - 8.7-10.0 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 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 1198 from cnoeabs.peaks (1.46, 1.34, 44.09 ppm; 2.85 A): 1 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 far 0 90 0 - 3.9-5.0 HG LEU 29 - HB3 LEU 27 far 0 90 0 - 6.9-7.7 HG13 ILE 52 - HB3 LEU 27 far 0 100 0 - 7.6-8.8 HG3 LYS 53 - HB3 LEU 27 far 0 99 0 - 8.3-9.7 HD2 LYS 53 - HB3 LEU 27 far 0 100 0 - 9.1-11.2 HG2 LYS 53 - HB3 LEU 27 far 0 100 0 - 9.7-10.8 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 4 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 far 0 68 0 - 4.6-5.1 HB3 LEU 29 - HB3 LEU 27 far 0 100 0 - 6.0-6.8 HG2 ARG 19 - HB3 LEU 27 far 0 98 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 1201 from cnoeabs.peaks (0.73, 1.34, 44.09 ppm; 3.56 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 27 + HB3 LEU 27 OK 100 100 100 100 2.2-2.4 3.1=100 QD1 LEU 27 + HB3 LEU 27 OK 59 59 100 100 2.2-2.5 3.1=100 QG2 ILE 93 - HB3 LEU 27 far 0 91 0 - 4.0-5.4 QG1 VAL 5 - HB3 LEU 27 far 0 100 0 - 5.4-6.2 QG1 VAL 54 - HB3 LEU 27 far 0 73 0 - 6.7-7.6 HG13 ILE 93 - HB3 LEU 27 far 0 97 0 - 7.3-9.1 QD1 ILE 52 - HB3 LEU 27 far 0 68 0 - 7.4-8.4 QG1 VAL 78 - HB3 LEU 27 far 0 96 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 1202 from cnoeabs.peaks (0.77, 1.34, 44.09 ppm; 3.51 A): 2 out of 11 assignments used, quality = 1.00: * QD1 LEU 27 + HB3 LEU 27 OK 100 100 100 100 2.2-2.5 3.1=100 QD2 LEU 27 + HB3 LEU 27 OK 59 59 100 100 2.2-2.4 3.1=100 QG2 ILE 93 - HB3 LEU 27 far 0 94 0 - 4.0-5.4 QD1 ILE 93 - HB3 LEU 27 far 0 100 0 - 6.7-7.9 QG1 VAL 54 - HB3 LEU 27 far 0 100 0 - 6.7-7.6 HG13 ILE 93 - HB3 LEU 27 far 0 85 0 - 7.3-9.1 QD2 LEU 57 - HB3 LEU 27 far 0 82 0 - 7.8-9.7 QG2 ILE 52 - HB3 LEU 27 far 0 99 0 - 9.0-9.9 QD1 LEU 6 - HB3 LEU 27 far 0 100 0 - 9.0-9.6 QG2 ILE 7 - HB3 LEU 27 far 0 77 0 - 9.7-10.5 QG1 VAL 78 - HB3 LEU 27 far 0 88 0 - 9.7-10.5 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 3 assignments used, quality = 1.00: * H GLU 28 + HB3 LEU 27 OK 100 100 100 100 2.7-3.2 6450=100, 1187/3.0=77...(11) HE ARG 30 - HB3 LEU 27 far 0 99 0 - 8.3-12.5 H GLU 99 - HB3 LEU 27 far 0 100 0 - 9.6-10.8 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 2.6-3.1 6442=100, 6440/3.0=75...(15) H SER 97 - HG LEU 27 far 0 85 0 - 5.3-6.3 H GLU 23 - HG LEU 27 far 0 68 0 - 6.6-7.1 H PHE 96 - HG LEU 27 far 0 79 0 - 7.4-8.4 H LYS 94 - HG LEU 27 far 0 88 0 - 7.8-8.6 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 3.1-3.3 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): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 27 + HG LEU 27 OK 100 100 100 100 2.4-2.5 3.0=100 QB ALA 22 - HG LEU 27 far 0 90 0 - 4.4-5.2 HG LEU 29 - HG LEU 27 far 0 90 0 - 8.5-9.5 HG3 LYS 53 - HG LEU 27 far 0 99 0 - 9.8-11.0 HD2 LYS 53 - HG LEU 27 far 0 100 0 - 9.9-12.1 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 2.0-2.4 8622=90, 1223/2.1=41...(16) HG3 LYS 94 - HG LEU 27 far 0 63 0 - 8.2-10.5 HB3 LEU 2 - HG LEU 27 far 0 99 0 - 9.1-10.7 HG2 LYS 94 - HG LEU 27 far 0 100 0 - 9.6-10.7 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): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 27 + HG LEU 27 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 27 + HG LEU 27 OK 59 59 100 100 2.1-2.1 2.1=100 QG2 ILE 93 - HG LEU 27 far 0 91 0 - 4.1-4.7 QG1 VAL 5 - HG LEU 27 far 0 100 0 - 6.8-7.4 HG13 ILE 93 - HG LEU 27 far 0 97 0 - 8.1-9.0 QG1 VAL 54 - HG LEU 27 far 0 73 0 - 9.0-9.9 QD1 ILE 52 - HG LEU 27 far 0 68 0 - 9.8-10.7 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 far 0 94 0 - 4.1-4.7 QD1 ILE 93 - HG LEU 27 far 0 100 0 - 6.7-7.8 HG13 ILE 93 - HG LEU 27 far 0 85 0 - 8.1-9.0 QG1 VAL 54 - HG LEU 27 far 0 100 0 - 9.0-9.9 QD2 LEU 57 - HG LEU 27 far 0 82 0 - 9.2-10.7 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 5.0-5.2 1219/2.1=100...(7) H GLU 99 - HG LEU 27 far 0 100 0 - 8.4-9.5 Violated in 0 structures by 0.00 A. Peak 1212 from cnoeabs.peaks (8.24, 0.73, 25.25 ppm; 4.24 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 27 + QD2 LEU 27 OK 100 100 100 100 3.5-3.8 6442/2.1=91, 3.0/1185=80...(14) H SER 97 - QD2 LEU 27 far 0 85 0 - 4.7-5.6 H PHE 96 - QD2 LEU 27 far 0 79 0 - 6.6-7.5 H GLU 23 - QD2 LEU 27 far 0 68 0 - 7.4-7.8 H LYS 94 - QD2 LEU 27 far 0 88 0 - 7.8-8.4 H GLU 104 - QD2 LEU 27 far 0 85 0 - 7.9-15.2 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 = 1.00: * HA LEU 27 + QD2 LEU 27 OK 100 100 100 100 2.0-2.4 1185=100, 1187/1219=41...(18) HA LEU 55 - QD2 LEU 27 far 0 94 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 1214 from cnoeabs.peaks (1.46, 0.73, 25.25 ppm; 3.77 A): 1 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 far 0 90 0 - 5.0-5.6 HG3 LYS 53 - QD2 LEU 27 far 0 99 0 - 6.4-7.4 HG13 ILE 52 - QD2 LEU 27 far 0 100 0 - 6.6-8.0 HD2 LYS 53 - QD2 LEU 27 far 0 100 0 - 6.8-8.4 HG2 LYS 53 - QD2 LEU 27 far 0 100 0 - 7.7-8.8 HG LEU 29 - QD2 LEU 27 far 0 90 0 - 8.2-8.6 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 2.2-2.4 3.1=100 QB ALA 25 + QD2 LEU 27 OK 98 100 100 98 3.0-3.6 8622/2.1=63, 8621/2.1=35...(17) HB3 LEU 2 - QD2 LEU 27 far 0 99 0 - 5.7-7.2 HG3 LYS 94 - QD2 LEU 27 far 0 63 0 - 7.7-9.9 HG2 LYS 94 - QD2 LEU 27 far 0 100 0 - 9.0-9.8 HB3 ARG 30 - QD2 LEU 27 far 0 82 0 - 9.4-10.1 QB ALA 89 - QD2 LEU 27 far 0 100 0 - 9.8-10.2 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 - 4.9-5.6 HB3 LEU 29 - QD2 LEU 27 far 0 100 0 - 7.3-7.7 HG2 LYS 24 - QD2 LEU 27 far 0 98 0 - 8.2-10.2 HD2 LYS 94 - QD2 LEU 27 far 0 84 0 - 8.5-10.9 HB2 ARG 79 - QD2 LEU 27 far 0 100 0 - 9.2-11.3 HG LEU 103 - QD2 LEU 27 far 0 96 0 - 9.4-15.2 HD3 LYS 94 - QD2 LEU 27 far 0 100 0 - 9.7-11.5 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 3.3-3.9 6452=95, 1187/1185=77...(10) H GLU 99 - QD2 LEU 27 far 0 100 0 - 6.7-7.6 HE ARG 30 - QD2 LEU 27 far 0 99 0 - 8.5-12.7 Violated in 0 structures by 0.00 A. Peak 1220 from cnoeabs.peaks (8.24, 0.77, 26.59 ppm; 3.88 A): 2 out of 6 assignments used, quality = 0.97: H SER 97 + QD1 LEU 27 OK 85 85 100 100 3.0-3.8 10064=78, 3.0/8641=46...(17) * H LEU 27 + QD1 LEU 27 OK 80 100 80 100 3.8-4.3 6442/2.1=83, 6440/3.1=68...(18) H PHE 96 - QD1 LEU 27 far 0 79 0 - 4.5-5.3 H LYS 94 - QD1 LEU 27 far 0 88 0 - 5.4-6.0 H GLU 23 - QD1 LEU 27 far 0 68 0 - 6.3-6.8 H GLU 104 - QD1 LEU 27 far 0 85 0 - 9.8-15.2 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 3.8-4.0 4.0=100 HA LEU 55 - QD1 LEU 27 far 0 94 0 - 7.0-7.6 Violated in 0 structures by 0.00 A. Peak 1222 from cnoeabs.peaks (1.46, 0.77, 26.59 ppm; 3.42 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 27 + QD1 LEU 27 OK 100 100 100 100 2.1-2.5 3.1=100 QB ALA 22 - QD1 LEU 27 far 4 90 5 - 3.6-4.4 HG LEU 29 - QD1 LEU 27 far 0 90 0 - 6.5-7.2 HD2 LYS 53 - QD1 LEU 27 far 0 100 0 - 6.6-8.7 HG3 LYS 53 - QD1 LEU 27 far 0 99 0 - 6.8-7.8 HG13 ILE 52 - QD1 LEU 27 far 0 100 0 - 7.6-8.6 HG2 LYS 53 - QD1 LEU 27 far 0 100 0 - 8.1-8.9 HG2 LYS 20 - QD1 LEU 27 far 0 100 0 - 9.5-12.0 HG3 ARG 91 - QD1 LEU 27 far 0 100 0 - 9.6-10.4 HG12 ILE 7 - QD1 LEU 27 far 0 71 0 - 9.8-10.5 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 2.2-2.5 3.1=100 QB ALA 25 + QD1 LEU 27 OK 98 100 100 98 1.9-2.5 8622/2.1=56, 8621=44...(19) HG3 LYS 94 - QD1 LEU 27 far 0 63 0 - 6.1-7.6 HG2 LYS 94 - QD1 LEU 27 far 0 100 0 - 7.0-7.8 HB3 LEU 2 - QD1 LEU 27 far 0 99 0 - 7.6-8.6 QB ALA 89 - QD1 LEU 27 far 0 100 0 - 7.7-8.1 HB3 ARG 30 - QD1 LEU 27 far 0 82 0 - 8.8-9.4 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 10 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 - 6.3-6.6 HB3 GLU 28 - QD1 LEU 27 far 0 68 0 - 6.3-6.6 HD2 LYS 94 - QD1 LEU 27 far 0 84 0 - 6.9-8.8 HG2 LYS 24 - QD1 LEU 27 far 0 98 0 - 7.8-9.3 HB2 ARG 79 - QD1 LEU 27 far 0 100 0 - 8.0-9.9 HD3 LYS 94 - QD1 LEU 27 far 0 100 0 - 8.0-9.4 HG LEU 103 - QD1 LEU 27 far 0 96 0 - 9.2-16.0 HG2 ARG 19 - QD1 LEU 27 far 0 98 0 - 9.3-11.3 HG3 LYS 90 - QD1 LEU 27 far 0 97 0 - 9.4-10.0 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; 5.11 A increased from 4.54 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 28 + QD1 LEU 27 OK 100 100 100 100 4.6-5.0 4.7=100 H GLU 99 - QD1 LEU 27 far 0 100 0 - 5.8-6.6 HE ARG 30 - QD1 LEU 27 far 0 99 0 - 9.2-12.0 H LYS 20 - QD1 LEU 27 far 0 100 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 1228 from cnoeabs.peaks (7.80, 4.31, 55.46 ppm; 3.86 A): 1 out of 2 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 - 4.6-8.9 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 2.7-2.9 3.0=100 HG3 ARG 19 - HA GLU 28 far 0 94 0 - 8.7-9.9 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 - 4.5-4.7 HG3 ARG 30 - HA GLU 28 far 0 71 0 - 5.3-7.4 HG LEU 27 - HA GLU 28 far 0 68 0 - 6.6-6.9 HB2 LEU 3 - HA GLU 28 far 0 99 0 - 7.5-8.1 HG2 ARG 19 - HA GLU 28 far 0 90 0 - 7.7-10.8 HG LEU 6 - HA GLU 28 far 0 61 0 - 8.5-9.1 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 5 assignments used, quality = 1.00: HG3 GLU 28 + HA GLU 28 OK 100 100 100 100 2.1-3.6 3.7=100 * HG2 GLU 28 + HA GLU 28 OK 100 100 100 100 2.2-3.6 3.7=100 HB2 GLU 23 - HA GLU 28 far 0 88 0 - 7.3-8.3 HG12 ILE 93 - HA GLU 28 far 0 84 0 - 8.8-9.8 QE MET 21 - HA GLU 28 far 0 68 0 - 9.2-9.8 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 5 assignments used, quality = 1.00: * HG3 GLU 28 + HA GLU 28 OK 100 100 100 100 2.1-3.6 3.7=100 HG2 GLU 28 + HA GLU 28 OK 100 100 100 100 2.2-3.6 3.7=100 HB2 GLU 23 - HA GLU 28 far 0 88 0 - 7.3-8.3 HG12 ILE 93 - HA GLU 28 far 0 84 0 - 8.8-9.8 QE MET 21 - HA GLU 28 far 0 68 0 - 9.2-9.8 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 2.2-2.3 6462=100, 6463/3.0=31...(9) H ILE 7 - HA GLU 28 far 0 100 0 - 9.5-10.0 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 3.1-3.5 6455=94, 6456/1.8=79...(9) HE ARG 30 - HB2 GLU 28 far 5 99 5 - 3.0-8.1 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 2.7-2.9 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 - 4.3-6.4 HB3 LEU 29 - HB2 GLU 28 far 0 71 0 - 6.0-6.2 HG LEU 6 - HB2 GLU 28 far 0 61 0 - 6.8-7.7 HB2 LEU 3 - HB2 GLU 28 far 0 99 0 - 7.2-8.0 HG LEU 27 - HB2 GLU 28 far 0 68 0 - 8.1-8.4 HG2 ARG 19 - HB2 GLU 28 far 0 90 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 1239 from cnoeabs.peaks (2.06, 1.74, 30.51 ppm; 3.41 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 28 + HB2 GLU 28 OK 100 100 100 100 2.3-3.0 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 - 9.0-11.0 HG12 ILE 93 - HB2 GLU 28 far 0 84 0 - 9.7-11.0 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 4 assignments used, quality = 1.00: HG2 GLU 28 + HB2 GLU 28 OK 100 100 100 100 2.3-3.0 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 - 9.0-11.0 HG12 ILE 93 - HB2 GLU 28 far 0 84 0 - 9.7-11.0 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 3.9-4.1 4.6=100 H LYS 53 - HB2 GLU 28 far 0 96 0 - 8.7-9.2 H ILE 7 - HB2 GLU 28 far 0 100 0 - 9.3-9.8 H VAL 54 - HB2 GLU 28 far 0 59 0 - 9.9-10.6 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 = 1.00: * H GLU 28 + HB3 GLU 28 OK 100 100 100 100 2.1-2.2 6456=100, 1235/1.8=73...(9) HE ARG 30 - HB3 GLU 28 far 0 99 0 - 4.5-9.8 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 5 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 2.4-3.0 3.0=100 HB3 GLU 48 - HB3 GLU 28 far 0 96 0 - 8.5-10.3 HB2 GLU 23 - HB3 GLU 28 far 0 88 0 - 9.6-10.9 HG12 ILE 93 - HB3 GLU 28 far 0 84 0 - 9.9-11.0 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 5 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 2.4-3.0 3.0=100 HB3 GLU 48 - HB3 GLU 28 far 0 96 0 - 8.5-10.3 HB2 GLU 23 - HB3 GLU 28 far 0 88 0 - 9.6-10.9 HG12 ILE 93 - HB3 GLU 28 far 0 84 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 1248 from cnoeabs.peaks (8.45, 1.56, 30.51 ppm; 4.80 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 29 + HB3 GLU 28 OK 100 100 100 100 4.6-4.7 4.6=100 H LYS 53 - HB3 GLU 28 far 0 96 0 - 7.6-8.6 H VAL 54 - HB3 GLU 28 far 0 59 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 1249 from cnoeabs.peaks (7.80, 2.06, 35.83 ppm; 4.51 A increased from 4.24 A): 2 out of 4 assignments used, quality = 1.00: H GLU 28 + HG3 GLU 28 OK 100 100 100 100 3.2-4.5 6456/3.0=79, 1235/3.0=76...(8) * H GLU 28 + HG2 GLU 28 OK 99 100 100 99 3.5-4.6 6456/3.0=79, 1235/3.0=76...(8) HE ARG 30 - HG3 GLU 28 far 10 99 10 - 2.6-9.8 HE ARG 30 - HG2 GLU 28 far 5 99 5 - 3.3-9.7 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 2.1-3.6 3.7=100 * HA GLU 28 + HG2 GLU 28 OK 100 100 100 100 2.2-3.6 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 2.3-3.0 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 - 9.7-12.4 HG3 ARG 19 - HG2 GLU 28 far 0 94 0 - 9.9-12.6 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 2.4-3.0 3.0=100 HG3 ARG 30 - HG2 GLU 28 far 0 71 0 - 4.1-6.9 HG3 ARG 30 - HG3 GLU 28 far 0 71 0 - 4.6-8.0 HB3 LEU 29 - HG3 GLU 28 far 0 71 0 - 6.0-7.8 HB3 LEU 29 - HG2 GLU 28 far 0 71 0 - 6.1-7.8 HG LEU 27 - HG3 GLU 28 far 0 68 0 - 7.7-9.3 HB2 LEU 3 - HG3 GLU 28 far 0 99 0 - 7.8-9.5 HG LEU 27 - HG2 GLU 28 far 0 68 0 - 8.0-9.6 HB2 LEU 3 - HG2 GLU 28 far 0 99 0 - 8.2-9.4 HG LEU 6 - HG3 GLU 28 far 0 61 0 - 8.3-10.5 HG LEU 6 - HG2 GLU 28 far 0 61 0 - 8.4-10.1 HG2 ARG 19 - HG3 GLU 28 far 0 90 0 - 8.6-13.4 HG2 ARG 19 - HG2 GLU 28 far 0 90 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 1253 from cnoeabs.peaks (2.06, 2.06, 35.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 28 + HG3 GLU 28 OK 100 100 - 100 * HG2 GLU 28 + HG2 GLU 28 OK 100 100 - 100 Peak 1254 from cnoeabs.peaks (2.06, 2.06, 35.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 28 + HG3 GLU 28 OK 100 100 - 100 HG2 GLU 28 + HG2 GLU 28 OK 100 100 - 100 Reference assignment not found: HG3 GLU 28 - HG2 GLU 28 Peak 1255 from cnoeabs.peaks (8.45, 2.06, 35.83 ppm; 4.87 A): 2 out of 5 assignments used, quality = 0.90: H LEU 29 + HG3 GLU 28 OK 85 100 85 100 3.8-5.6 5.0=93, 6462/3.7=87...(7) * H LEU 29 + HG2 GLU 28 OK 35 100 35 100 4.1-5.5 5.0=93, 6462/3.7=87...(7) H LYS 53 - HG2 GLU 28 far 0 96 0 - 9.7-11.1 H ILE 7 - HG2 GLU 28 far 0 100 0 - 10.0-12.0 H ILE 7 - HG3 GLU 28 far 0 100 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 1256 from cnoeabs.peaks (7.80, 2.06, 35.83 ppm; 4.51 A increased from 4.24 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 28 + HG3 GLU 28 OK 100 100 100 100 3.2-4.5 6456/3.0=79, 1235/3.0=76...(8) H GLU 28 + HG2 GLU 28 OK 99 100 100 99 3.5-4.6 6456/3.0=79, 1235/3.0=76...(8) HE ARG 30 - HG3 GLU 28 far 10 99 10 - 2.6-9.8 HE ARG 30 - HG2 GLU 28 far 5 99 5 - 3.3-9.7 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 2.1-3.6 3.7=100 HA GLU 28 + HG2 GLU 28 OK 100 100 100 100 2.2-3.6 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 2.3-3.0 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 - 9.7-12.4 HG3 ARG 19 - HG2 GLU 28 far 0 94 0 - 9.9-12.6 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 2.4-3.0 3.0=100 HG3 ARG 30 - HG2 GLU 28 far 0 71 0 - 4.1-6.9 HG3 ARG 30 - HG3 GLU 28 far 0 71 0 - 4.6-8.0 HB3 LEU 29 - HG3 GLU 28 far 0 71 0 - 6.0-7.8 HB3 LEU 29 - HG2 GLU 28 far 0 71 0 - 6.1-7.8 HG LEU 27 - HG3 GLU 28 far 0 68 0 - 7.7-9.3 HB2 LEU 3 - HG3 GLU 28 far 0 99 0 - 7.8-9.5 HG LEU 27 - HG2 GLU 28 far 0 68 0 - 8.0-9.6 HB2 LEU 3 - HG2 GLU 28 far 0 99 0 - 8.2-9.4 HG LEU 6 - HG3 GLU 28 far 0 61 0 - 8.3-10.5 HG LEU 6 - HG2 GLU 28 far 0 61 0 - 8.4-10.1 HG2 ARG 19 - HG3 GLU 28 far 0 90 0 - 8.6-13.4 HG2 ARG 19 - HG2 GLU 28 far 0 90 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 1260 from cnoeabs.peaks (2.06, 2.06, 35.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 28 + HG3 GLU 28 OK 100 100 - 100 HG2 GLU 28 + HG2 GLU 28 OK 100 100 - 100 Reference assignment not found: HG2 GLU 28 - HG3 GLU 28 Peak 1261 from cnoeabs.peaks (2.06, 2.06, 35.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 28 + HG3 GLU 28 OK 100 100 - 100 HG2 GLU 28 + HG2 GLU 28 OK 100 100 - 100 Peak 1262 from cnoeabs.peaks (8.45, 2.06, 35.83 ppm; 4.87 A): 2 out of 5 assignments used, quality = 0.90: * H LEU 29 + HG3 GLU 28 OK 85 100 85 100 3.8-5.6 5.0=93, 6462/3.7=87...(7) H LEU 29 + HG2 GLU 28 OK 35 100 35 100 4.1-5.5 5.0=93, 6462/3.7=87...(7) H LYS 53 - HG2 GLU 28 far 0 96 0 - 9.7-11.1 H ILE 7 - HG2 GLU 28 far 0 100 0 - 10.0-12.0 H ILE 7 - HG3 GLU 28 far 0 100 0 - 10.0-12.1 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 - 5.3-5.7 H VAL 32 - HA LEU 29 far 0 79 0 - 8.5-9.0 H VAL 54 - HA LEU 29 far 0 59 0 - 9.5-10.1 H LYS 53 - HA LEU 29 far 0 96 0 - 9.6-10.2 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 QG2 THR 31 - HA LEU 29 far 0 93 0 - 6.1-6.5 HB2 LEU 6 - HA LEU 29 far 0 92 0 - 6.5-6.9 HB3 LEU 3 - HA LEU 29 far 0 99 0 - 7.6-8.1 HB2 LEU 57 - HA LEU 29 far 0 65 0 - 10.0-10.6 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 0 71 0 - 5.3-5.7 HB2 ARG 30 - HA LEU 29 far 0 100 0 - 5.5-5.6 HG2 ARG 19 - HA LEU 29 far 0 99 0 - 6.1-8.9 HG LEU 27 - HA LEU 29 far 0 100 0 - 7.3-8.0 Violated in 0 structures by 0.00 A. Peak 1267 from cnoeabs.peaks (1.44, 5.66, 53.19 ppm; 3.75 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 29 + HA LEU 29 OK 100 100 100 100 2.5-2.7 3.6=100 QB ALA 22 + HA LEU 29 OK 99 100 100 99 3.8-4.0 8581/2.9=59, 8577/2.9=56...(12) HB2 LEU 27 - HA LEU 29 far 0 90 0 - 4.9-5.8 HG12 ILE 7 - HA LEU 29 far 0 99 0 - 8.4-9.1 HG13 ILE 52 - HA LEU 29 far 0 90 0 - 9.5-10.4 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 3.4-3.6 1296=87, 2.1/1304=65...(14) QD1 LEU 29 + HA LEU 29 OK 98 99 100 100 3.5-3.6 1304=85, 2.1/1296=65...(19) QG2 VAL 54 - HA LEU 29 far 0 98 0 - 6.3-7.3 QD1 ILE 7 - HA LEU 29 far 0 90 0 - 7.2-8.5 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 3.5-3.6 1304=87, 2.1/1296=65...(19) QD2 LEU 29 + HA LEU 29 OK 98 99 100 100 3.4-3.6 1296=86, 2.1/1304=65...(14) QD2 LEU 6 - HA LEU 29 far 0 71 0 - 4.5-5.1 QG2 VAL 54 - HA LEU 29 far 0 100 0 - 6.3-7.3 QD1 ILE 7 - HA LEU 29 far 0 71 0 - 7.2-8.5 Violated in 0 structures by 0.00 A. Peak 1270 from cnoeabs.peaks (9.09, 5.66, 53.19 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + HA LEU 29 OK 100 100 100 100 2.2-2.3 6476=100, 6477/2.9=43...(12) 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 2.7-3.1 4.0=100 H ILE 7 - HB2 LEU 29 far 0 100 0 - 6.0-6.5 H VAL 32 - HB2 LEU 29 far 0 79 0 - 9.5-9.9 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 0 99 0 - 5.3-7.6 HG LEU 27 - HB2 LEU 29 far 0 100 0 - 6.2-6.9 HB3 GLU 28 - HB2 LEU 29 far 0 71 0 - 6.5-6.8 HB2 ARG 30 - HB2 LEU 29 far 0 100 0 - 7.4-7.5 Violated in 0 structures by 0.00 A. Peak 1275 from cnoeabs.peaks (1.44, 1.16, 44.91 ppm; 3.66 A): 2 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 1.9-2.1 8577=80, 8581/1.8=73...(19) HB2 LEU 27 - HB2 LEU 29 far 4 90 5 - 3.9-4.5 HG12 ILE 7 - HB2 LEU 29 far 0 99 0 - 8.0-8.8 HG2 LYS 20 - HB2 LEU 29 far 0 90 0 - 8.6-10.7 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 2.0-2.2 3.1=100 QD1 ILE 7 - HB2 LEU 29 far 0 90 0 - 6.5-8.3 QG2 VAL 54 - HB2 LEU 29 far 0 98 0 - 7.9-8.9 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 2.0-2.2 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 - 6.3-6.8 QD1 ILE 7 - HB2 LEU 29 far 0 71 0 - 6.5-8.3 QG2 VAL 54 - HB2 LEU 29 far 0 100 0 - 7.9-8.9 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 3.8-4.1 4.3=100 Violated in 0 structures by 0.00 A. Peak 1279 from cnoeabs.peaks (8.45, 1.60, 44.91 ppm; 4.30 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.3-2.5 4.0=100 H ILE 7 - HB3 LEU 29 far 0 100 0 - 6.4-6.8 H VAL 32 - HB3 LEU 29 far 0 79 0 - 9.3-9.8 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 - 5.6-5.9 HB2 LEU 6 - HB3 LEU 29 far 0 92 0 - 8.9-9.4 HB3 LEU 3 - HB3 LEU 29 far 0 99 0 - 9.3-9.8 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: QB ALA 22 + HB3 LEU 29 OK 100 100 100 100 2.2-2.7 8581=99, 8577/1.8=71...(21) * HG LEU 29 + HB3 LEU 29 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LEU 27 - HB3 LEU 29 far 0 90 0 - 5.2-5.7 HG2 LYS 20 - HB3 LEU 29 far 0 90 0 - 8.2-10.0 HG12 ILE 7 - HB3 LEU 29 far 0 99 0 - 8.6-9.3 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 2.6-2.7 3.1=100 QD1 ILE 7 - HB3 LEU 29 far 0 90 0 - 6.6-8.4 QG2 VAL 54 - HB3 LEU 29 far 0 98 0 - 8.8-9.8 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 2.6-2.7 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 - 6.2-6.9 QD1 ILE 7 - HB3 LEU 29 far 0 71 0 - 6.6-8.4 QG2 VAL 54 - HB3 LEU 29 far 0 100 0 - 8.8-9.8 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 3.9-4.2 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): 3 out of 11 assignments used, quality = 1.00: * H LEU 29 + HG LEU 29 OK 100 100 100 100 4.5-4.6 6471/2.1=86, 6469/3.0=83...(14) H ILE 7 + HG LEU 29 OK 99 100 100 100 3.5-3.9 6081=97, 6475/6479=65...(6) H LYS 53 + HG13 ILE 52 OK 60 60 100 100 2.5-3.2 6871/1.8=73, 6868/3.8=71...(14) H ALA 67 - HG LEU 38 far 3 51 5 - 4.8-5.5 H VAL 54 - HG13 ILE 52 far 0 33 0 - 5.3-6.8 H VAL 32 - HG LEU 29 far 0 79 0 - 6.8-7.4 H VAL 32 - HG LEU 38 far 0 51 0 - 7.6-7.8 H VAL 54 - HG13 ILE 76 far 0 44 0 - 7.8-8.5 H ILE 7 - HG LEU 38 far 0 72 0 - 8.4-9.0 H LYS 53 - HG13 ILE 76 far 0 77 0 - 9.3-10.4 H THR 80 - HG LEU 38 far 0 42 0 - 9.5-10.7 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 2.5-2.7 3.6=100 HA LEU 29 - HG13 ILE 52 far 0 68 0 - 9.5-10.4 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 9 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 far 0 93 0 - 4.2-4.9 HB2 LEU 6 - HG LEU 38 far 0 62 0 - 5.7-6.3 HB3 LEU 3 - HG13 ILE 52 far 0 65 0 - 5.9-7.0 HB2 LEU 6 - HG LEU 29 far 0 92 0 - 6.1-6.8 QG2 THR 34 - HG LEU 38 far 0 67 0 - 8.1-8.6 HB2 LEU 57 - HG LEU 29 far 0 65 0 - 8.2-8.8 HB3 LEU 3 - HG LEU 29 far 0 99 0 - 9.1-10.1 QG2 THR 31 - HG LEU 38 far 0 63 0 - 9.5-9.9 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 17 assignments used, quality = 1.00: * HB3 LEU 29 + HG LEU 29 OK 100 100 100 100 3.0-3.0 3.0=100 HD3 LYS 94 - HG3 ARG 91 far 11 76 15 - 3.1-7.5 HD2 LYS 94 - HG3 ARG 91 far 0 54 0 - 4.6-8.4 HG2 ARG 19 - HG LEU 29 far 0 99 0 - 4.7-6.6 HB2 ARG 30 - HG LEU 29 far 0 100 0 - 5.5-5.8 HB3 GLU 28 - HG13 ILE 52 far 0 41 0 - 6.4-7.6 HG3 LYS 73 - HG13 ILE 76 far 0 85 0 - 7.1-10.2 HD2 LYS 66 - HG LEU 38 far 0 73 0 - 7.6-9.8 HB3 GLU 28 - HG LEU 29 far 0 71 0 - 7.9-8.3 HG3 LYS 47 - HG13 ILE 76 far 0 65 0 - 8.1-9.8 HG LEU 27 - HG LEU 29 far 0 100 0 - 8.5-9.5 HG3 LYS 90 - HG3 ARG 91 far 0 72 0 - 8.8-9.4 HG3 LYS 47 - HG13 ILE 52 far 0 50 0 - 8.9-10.6 HB2 ARG 30 - HG LEU 38 far 0 72 0 - 9.0-9.6 HG LEU 103 - HG3 ARG 91 far 0 70 0 - 9.5-23.2 HG3 LYS 73 - HG LEU 38 far 0 73 0 - 9.7-12.1 HB2 LEU 103 - HG3 ARG 91 far 0 73 0 - 10.0-23.7 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): 2 out of 10 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 far 0 63 0 - 3.6-4.7 QD1 ILE 7 - HG LEU 29 far 0 90 0 - 5.0-6.4 QG2 VAL 54 - HG13 ILE 76 far 0 81 0 - 5.6-6.4 QG2 VAL 58 - HG LEU 38 far 0 45 0 - 7.0-7.7 QG2 VAL 54 - HG LEU 29 far 0 98 0 - 7.6-8.8 QG2 VAL 54 - HG LEU 38 far 0 69 0 - 7.9-8.5 QD1 ILE 7 - HG LEU 38 far 0 60 0 - 9.0-10.8 QD1 LEU 14 - HG LEU 29 far 0 68 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 1293 from cnoeabs.peaks (0.65, 1.44, 27.00 ppm; 3.08 A): 2 out of 16 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 far 0 67 0 - 3.6-4.7 QD1 LEU 42 - HG LEU 38 far 0 42 0 - 4.1-4.4 QD2 LEU 6 - HG LEU 29 far 0 71 0 - 4.5-5.0 QD1 LEU 42 - HG13 ILE 76 far 0 51 0 - 5.0-5.4 QD1 ILE 7 - HG LEU 29 far 0 71 0 - 5.0-6.4 QD2 LEU 6 - HG LEU 38 far 0 45 0 - 5.5-5.9 QG2 VAL 54 - HG13 ILE 76 far 0 85 0 - 5.6-6.4 QG2 VAL 58 - HG LEU 38 far 0 60 0 - 7.0-7.7 QG2 VAL 54 - HG LEU 29 far 0 100 0 - 7.6-8.8 QG2 VAL 54 - HG LEU 38 far 0 73 0 - 7.9-8.5 QD1 ILE 7 - HG LEU 38 far 0 45 0 - 9.0-10.8 QD2 LEU 6 - HG13 ILE 52 far 0 41 0 - 9.0-9.6 QD1 LEU 14 - HG LEU 29 far 0 87 0 - 9.6-10.3 QD1 LEU 42 - HG13 ILE 52 far 0 38 0 - 9.6-10.4 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 1 assignment used, quality = 1.00: * H ARG 30 + HG LEU 29 OK 100 100 100 100 2.1-2.6 6479=100, 6480/2.1=88...(13) 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 3.7-4.0 6471=100, 6469/3.1=66...(13) H ILE 7 + QD2 LEU 29 OK 89 100 90 99 3.3-4.4 6081/2.1=70...(10) H VAL 32 - QD2 LEU 29 far 0 79 0 - 5.6-6.3 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 3.4-3.6 4.1=92, 1304/2.1=71...(14) 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 91 93 100 98 2.7-3.0 8731=90, 8282/10501=30...(12) HB2 LEU 6 - QD2 LEU 29 far 0 92 0 - 6.4-7.3 HB2 LEU 57 - QD2 LEU 29 far 0 65 0 - 7.6-8.6 HB3 LEU 3 - QD2 LEU 29 far 0 99 0 - 9.4-10.0 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...(12) HG2 ARG 19 + QD2 LEU 29 OK 58 99 60 98 1.9-3.7 1.8/8673=52, 3.0/8674=39...(20) HB2 ARG 30 - QD2 LEU 29 far 0 100 0 - 4.6-5.0 HB3 GLU 28 - QD2 LEU 29 far 0 71 0 - 7.3-7.6 HG LEU 27 - QD2 LEU 29 far 0 100 0 - 8.2-8.7 HG3 LYS 90 - QD2 LEU 29 far 0 98 0 - 8.4-9.0 HG2 LYS 24 - QD2 LEU 29 far 0 99 0 - 9.3-11.2 HG3 LYS 12 - QD2 LEU 29 far 0 100 0 - 9.8-10.7 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 6 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 68 100 70 98 2.9-3.5 8580=36, 8581/3.1=34...(20) HG12 ILE 7 - QD2 LEU 29 far 0 99 0 - 5.4-6.4 HB2 LEU 27 - QD2 LEU 29 far 0 90 0 - 6.4-6.7 HG2 LYS 20 - QD2 LEU 29 far 0 90 0 - 6.6-8.1 HG2 LYS 12 - QD2 LEU 29 far 0 99 0 - 8.3-9.9 Violated in 0 structures by 0.00 A. Peak 1300 from cnoeabs.peaks (0.64, 0.64, 24.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 29 + QD2 LEU 29 OK 100 100 - 100 Peak 1301 from cnoeabs.peaks (0.65, 0.64, 24.70 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 29 + QD2 LEU 29 OK 99 99 - 100 Reference assignment not found: QD1 LEU 29 - QD2 LEU 29 Peak 1302 from cnoeabs.peaks (9.09, 0.64, 24.70 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + QD2 LEU 29 OK 100 100 100 100 2.5-3.3 6480=100, 6479/2.1=84...(14) 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 4.3-4.5 6472/2.1=87, 4.8=85...(14) H ILE 7 + QD1 LEU 29 OK 99 100 100 99 3.9-4.3 6081/2.1=86...(7) H VAL 32 - QD1 LEU 29 far 0 79 0 - 7.0-7.3 H VAL 54 - QD1 LEU 29 far 0 59 0 - 9.8-10.6 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 3.5-3.6 4.1=93, 1296/2.1=71...(19) 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 2.0-2.2 3.1=100 QG2 THR 31 - QD1 LEU 29 far 0 93 0 - 4.0-4.6 HB2 LEU 57 - QD1 LEU 29 far 0 65 0 - 6.2-6.8 HB2 LEU 6 - QD1 LEU 29 far 0 92 0 - 6.4-6.9 HB3 LEU 3 - QD1 LEU 29 far 0 99 0 - 7.7-8.5 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 10 assignments used, quality = 1.00: * HB3 LEU 29 + QD1 LEU 29 OK 100 100 100 100 2.6-2.7 3.1=100 HG2 ARG 19 + QD1 LEU 29 OK 24 99 25 99 3.5-4.7 8518/2.1=46...(19) HG LEU 27 - QD1 LEU 29 far 0 100 0 - 6.3-7.2 HB2 ARG 30 - QD1 LEU 29 far 0 100 0 - 6.6-6.8 HG3 LYS 90 - QD1 LEU 29 far 0 98 0 - 6.9-7.3 HB3 GLU 28 - QD1 LEU 29 far 0 71 0 - 7.6-7.9 HG2 LYS 24 - QD1 LEU 29 far 0 99 0 - 8.4-9.9 HD2 LYS 94 - QD1 LEU 29 far 0 81 0 - 9.3-10.8 HD3 LYS 94 - QD1 LEU 29 far 0 100 0 - 9.6-11.6 HB2 ARG 79 - QD1 LEU 29 far 0 100 0 - 9.8-11.7 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 6 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 98 100 100 98 1.8-2.0 8581/3.1=34, 8580=33...(22) HG12 ILE 7 - QD1 LEU 29 far 0 99 0 - 4.5-5.1 HB2 LEU 27 - QD1 LEU 29 far 0 90 0 - 4.6-5.3 HG2 LYS 20 - QD1 LEU 29 far 0 90 0 - 5.8-7.9 HG2 LYS 12 - QD1 LEU 29 far 0 99 0 - 9.7-11.3 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 3.8-4.2 6480/2.1=92, 6479/2.1=91...(14) H VAL 83 - QD1 LEU 29 far 0 94 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 1311 from cnoeabs.peaks (9.09, 4.91, 53.42 ppm; 5.21 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + HA ARG 30 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1312 from cnoeabs.peaks (4.91, 4.91, 53.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 30 + HA ARG 30 OK 100 100 - 100 Peak 1313 from cnoeabs.peaks (1.60, 4.91, 53.42 ppm; 6.30 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ARG 30 + HA ARG 30 OK 100 100 100 100 2.6-2.7 3.0=100 HB3 LEU 29 + HA ARG 30 OK 100 100 100 100 4.6-4.9 ~6477=85, ~6476=80...(11) HG2 ARG 19 - HA ARG 30 poor 12 94 35 38 4.9-7.9 8518/8683=32, 2940/3.6=6 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 3.0-3.0 3.0=100 HG12 ILE 8 - HA ARG 30 far 0 99 0 - 8.6-9.3 HG3 LYS 40 - HA ARG 30 far 0 98 0 - 8.8-9.8 HB3 LEU 27 - HA ARG 30 far 0 82 0 - 9.3-9.9 QB ALA 89 - HA ARG 30 far 0 73 0 - 9.9-10.3 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 2.7-3.6 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): 1 out of 6 assignments used, quality = 1.00: * HG3 ARG 30 + HA ARG 30 OK 100 100 100 100 2.4-3.6 3.9=100 HG LEU 6 - HA ARG 30 far 0 100 0 - 5.7-6.2 HB ILE 7 - HA ARG 30 far 0 99 0 - 6.6-7.0 HB3 GLU 28 - HA ARG 30 far 0 71 0 - 7.7-8.1 HG3 LYS 33 - HA ARG 30 far 0 84 0 - 9.0-9.2 HG2 LYS 33 - HA ARG 30 far 0 94 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 1317 from cnoeabs.peaks (2.67, 4.91, 53.42 ppm; 4.15 A increased from 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 30 + HA ARG 30 OK 100 100 100 100 2.0-3.9 1357=99, 1.8/1366=82...(7) HB3 TYR 41 - HA ARG 30 far 0 68 0 - 7.4-7.7 Violated in 0 structures by 0.00 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 2.3-3.7 1366=100, 1.8/1317=72...(8) 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...(11) H ILE 7 - HA ARG 30 far 0 61 0 - 5.1-5.3 H VAL 32 - HA ARG 30 far 0 96 0 - 6.2-6.4 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 3.6-3.7 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 2.6-2.7 3.0=100 HA THR 31 + HB2 ARG 30 OK 89 90 100 99 4.2-4.4 3.0/6493=68, ~6494=40...(15) HA ILE 56 - HB2 ARG 30 far 0 75 0 - 8.2-8.6 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 4 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 - 6.3-7.5 HG12 ILE 8 - HB2 ARG 30 far 0 99 0 - 7.4-8.1 QB ALA 67 - HB2 ARG 30 far 0 70 0 - 9.6-10.0 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 2.5-3.0 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): 1 out of 7 assignments used, quality = 1.00: * HG3 ARG 30 + HB2 ARG 30 OK 100 100 100 100 2.4-3.0 2.9=100 HG LEU 6 - HB2 ARG 30 far 5 100 5 - 4.1-4.6 HB ILE 7 - HB2 ARG 30 far 0 99 0 - 7.3-7.6 HG3 LYS 33 - HB2 ARG 30 far 0 84 0 - 8.2-8.5 HG2 LYS 33 - HB2 ARG 30 far 0 94 0 - 8.3-8.6 HB3 GLU 28 - HB2 ARG 30 far 0 71 0 - 8.4-9.0 HG12 ILE 56 - HB2 ARG 30 far 0 100 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 1326 from cnoeabs.peaks (2.67, 1.60, 32.55 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 30 + HB2 ARG 30 OK 100 100 100 100 2.6-3.6 3.6=100 HB3 TYR 41 - HB2 ARG 30 poor 17 68 25 - 4.8-5.1 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 2.1-3.8 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): 1 out of 3 assignments used, quality = 1.00: * H THR 31 + HB2 ARG 30 OK 100 100 100 100 2.3-2.7 6493=100, 6494/1.8=82...(12) H ILE 7 - HB2 ARG 30 far 0 61 0 - 4.9-5.3 H VAL 32 - HB2 ARG 30 far 0 96 0 - 5.3-5.6 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 2.5-2.7 4.0=100 H VAL 83 + HB2 LYS 82 OK 54 54 100 100 4.2-4.5 4.6=88, 7343/3.0=80...(14) Violated in 0 structures by 0.00 A. Peak 1330 from cnoeabs.peaks (4.91, 1.37, 32.55 ppm; 4.23 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 30 + HB3 ARG 30 OK 100 100 100 100 3.0-3.0 3.0=100 HA THR 31 - HB3 ARG 30 far 0 90 0 - 5.0-5.2 HA ILE 56 - HB3 ARG 30 far 0 75 0 - 7.5-7.8 HA ILE 56 - HB2 LYS 82 far 0 40 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 1331 from cnoeabs.peaks (1.60, 1.37, 32.55 ppm; 3.30 A): 1 out of 5 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 far 3 32 10 - 3.6-3.7 HB3 LEU 29 - HB3 ARG 30 far 0 100 0 - 6.0-6.3 HG2 ARG 19 - HB3 ARG 30 far 0 94 0 - 7.4-10.2 HG2 LYS 68 - HB2 LYS 82 far 0 30 0 - 8.3-9.0 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 1 assignment used, quality = 1.00: * HG2 ARG 30 + HB3 ARG 30 OK 100 100 100 100 2.3-2.4 2.9=100 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 10 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 95 100 100 95 2.9-3.6 2.1/8718=43, ~8717=41...(13) HD3 LYS 82 + HB2 LYS 82 OK 34 34 100 100 3.6-3.7 3.5=100 HB3 GLU 28 - HB3 ARG 30 far 0 71 0 - 7.0-7.6 HB ILE 7 - HB3 ARG 30 far 0 99 0 - 7.1-7.4 HG12 ILE 56 - HB3 ARG 30 far 0 100 0 - 8.3-9.0 HG LEU 57 - HB2 LYS 82 far 0 42 0 - 9.2-9.5 HG3 LYS 33 - HB3 ARG 30 far 0 84 0 - 9.7-10.0 HG3 ARG 79 - HB2 LYS 82 far 0 61 0 - 9.8-11.7 HG2 LYS 33 - HB3 ARG 30 far 0 94 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 1335 from cnoeabs.peaks (2.67, 1.37, 32.55 ppm; 4.76 A): 2 out of 3 assignments used, quality = 1.00: * HD2 ARG 30 + HB3 ARG 30 OK 100 100 100 100 2.5-4.2 3.6=100 HB3 TYR 41 + HB3 ARG 30 OK 29 68 50 85 4.9-5.1 2.5/8700=35, ~8697=25...(8) HB3 ASP 65 - HB2 LYS 82 far 0 38 0 - 9.4-10.1 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 2 assignments used, quality = 1.00: * HD3 ARG 30 + HB3 ARG 30 OK 100 100 100 100 3.4-4.2 3.6=100 HB3 ASN 60 - HB2 LYS 82 far 0 47 0 - 7.8-8.1 Violated in 0 structures by 0.00 A. Peak 1337 from cnoeabs.peaks (8.50, 1.37, 32.55 ppm; 4.62 A): 1 out of 5 assignments used, quality = 1.00: * H THR 31 + HB3 ARG 30 OK 100 100 100 100 3.7-4.0 6494=100, 6493/1.8=96...(12) H ILE 7 - HB3 ARG 30 far 9 61 15 - 4.9-5.2 H VAL 32 - HB3 ARG 30 far 0 96 0 - 6.3-6.6 H ALA 67 - HB2 LYS 82 far 0 55 0 - 8.7-9.3 H VAL 54 - HB3 ARG 30 far 0 100 0 - 9.8-10.5 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 3.6-4.5 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 2.7-3.6 3.9=100 HA THR 31 - HG2 ARG 30 far 0 90 0 - 6.6-6.9 HA ILE 56 - HG2 ARG 30 far 0 75 0 - 9.6-10.0 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 2.5-3.0 2.9=100 HB3 LEU 29 - HG2 ARG 30 far 0 100 0 - 5.7-7.5 HG2 ARG 19 - HG2 ARG 30 far 0 94 0 - 7.2-11.1 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 2.3-2.4 2.9=100 HG3 LYS 40 - HG2 ARG 30 far 0 98 0 - 6.3-8.6 HB3 LEU 27 - HG2 ARG 30 far 0 82 0 - 8.5-10.1 HG12 ILE 8 - HG2 ARG 30 far 0 99 0 - 9.8-10.3 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 4 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 - 4.7-5.3 HB3 GLU 28 - HG2 ARG 30 far 0 71 0 - 5.8-7.2 HB ILE 7 - HG2 ARG 30 far 0 99 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 1344 from cnoeabs.peaks (2.67, 1.29, 26.44 ppm; 4.29 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 30 + HG2 ARG 30 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 TYR 41 - HG2 ARG 30 far 0 68 0 - 5.1-6.6 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 2.5-3.0 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 4.4-4.8 6495=100, 6496/1.8=99...(11) H ILE 7 - HG2 ARG 30 far 0 61 0 - 6.8-7.4 H VAL 32 - HG2 ARG 30 far 0 96 0 - 7.9-8.3 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 3.6-4.7 4.9=100 H VAL 83 - HG LEU 57 far 0 46 0 - 6.3-6.9 H ARG 30 - HG LEU 57 far 0 53 0 - 8.7-9.3 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 2.4-3.6 3.9=100 HA ILE 56 - HG LEU 57 far 0 34 0 - 5.5-6.0 HA ILE 56 - HG3 ARG 79 far 0 47 0 - 5.6-9.5 HA THR 31 - HG3 ARG 30 far 0 90 0 - 6.1-6.6 HA ILE 56 - HG2 ARG 79 far 0 47 0 - 7.1-9.6 HA THR 31 - HG LEU 57 far 0 43 0 - 9.0-9.6 HA ILE 56 - HG3 ARG 30 far 0 75 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 1349 from cnoeabs.peaks (1.60, 1.53, 26.44 ppm; 2.65 A): 2 out of 14 assignments used, quality = 0.73: HB2 ARG 79 + HG2 ARG 79 OK 66 72 100 91 2.5-2.9 3.0=70, 7289/4.7=15...(14) * HB2 ARG 30 + HG3 ARG 30 OK 22 100 25 87 2.4-3.0 2.9=73, 6493/6496=17...(9) HB2 ARG 79 - HG3 ARG 79 far 4 72 5 - 2.7-3.0 HB2 LEU 103 - HG2 ARG 79 far 0 63 0 - 4.8-19.7 HB3 LEU 29 - HG3 ARG 30 far 0 100 0 - 5.5-7.6 HG LEU 103 - HG2 ARG 79 far 0 60 0 - 5.5-17.3 HB2 LEU 103 - HG3 ARG 79 far 0 63 0 - 5.6-20.9 HG LEU 103 - HG3 ARG 79 far 0 60 0 - 6.9-18.3 HG2 ARG 19 - HG3 ARG 30 far 0 94 0 - 7.3-11.5 HB2 ARG 79 - HG LEU 57 far 0 53 0 - 8.3-9.8 HG LEU 103 - HG LEU 2 far 0 45 0 - 9.0-20.0 HG3 LYS 90 - HG LEU 57 far 0 45 0 - 9.1-9.9 HB3 LEU 29 - HG LEU 57 far 0 52 0 - 9.4-10.1 HG2 LYS 68 - HG3 ARG 79 far 0 36 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 1350 from cnoeabs.peaks (1.37, 1.53, 26.44 ppm; 3.32 A): 2 out of 21 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 2.7-3.0 3.0=100 QB ALA 89 - HG LEU 57 poor 7 33 20 - 2.9-4.1 HG3 LYS 40 - HG3 ARG 30 far 0 98 0 - 6.2-8.8 HG LEU 14 - HG LEU 57 far 0 43 0 - 6.7-7.8 QB ALA 67 - HG3 ARG 79 far 0 43 0 - 6.9-8.8 QB ALA 71 - HG3 ARG 79 far 0 34 0 - 7.1-8.6 HG12 ILE 8 - HG LEU 57 far 0 52 0 - 7.7-8.6 QB ALA 67 - HG LEU 57 far 0 30 0 - 8.1-8.5 QB ALA 67 - HG2 ARG 79 far 0 43 0 - 8.2-9.7 QB ALA 71 - HG2 ARG 79 far 0 35 0 - 8.3-9.4 HB3 LEU 27 - HG3 ARG 30 far 0 82 0 - 8.7-10.7 HG3 LYS 94 - HG LEU 57 far 0 51 0 - 8.9-12.2 QB ALA 25 - HG LEU 57 far 0 33 0 - 9.1-9.8 HB2 LYS 82 - HG LEU 57 far 0 37 0 - 9.2-9.5 HG2 LYS 94 - HG LEU 57 far 0 33 0 - 9.2-11.8 HB3 LEU 27 - HG LEU 2 far 0 39 0 - 9.5-10.6 HG12 ILE 8 - HG3 ARG 30 far 0 99 0 - 9.6-10.6 HB2 LYS 82 - HG3 ARG 79 far 0 51 0 - 9.8-11.7 QB ALA 89 - HG3 ARG 79 far 0 46 0 - 9.8-12.2 QB ALA 89 - HG2 ARG 79 far 0 46 0 - 9.9-11.3 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 4 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 2.7-3.0 3.0=100 HG LEU 3 - HG LEU 2 far 0 54 0 - 5.8-6.4 HG2 LYS 90 - HG LEU 57 far 0 52 0 - 7.6-8.4 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 9 assignments used, quality = 1.00: * HD2 ARG 30 + HG3 ARG 30 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ASN 51 + HG LEU 2 OK 54 55 100 99 2.1-3.9 9116/2.1=58...(13) HB3 TYR 41 - HG3 ARG 30 far 0 68 0 - 4.9-7.0 HD3 ARG 91 - HG LEU 57 far 0 51 0 - 8.0-11.6 HB3 ASP 77 - HG3 ARG 79 far 0 37 0 - 8.7-10.5 HD3 ARG 91 - HG2 ARG 79 far 0 69 0 - 9.3-14.4 HB3 ASP 77 - HG2 ARG 79 far 0 37 0 - 9.4-10.7 HB3 ASP 77 - HG LEU 2 far 0 27 0 - 9.8-12.0 HD3 ARG 91 - HG3 ARG 79 far 0 69 0 - 9.9-15.9 Violated in 0 structures by 0.00 A. Peak 1354 from cnoeabs.peaks (3.08, 1.53, 26.44 ppm; 3.23 A): 5 out of 14 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 2.5-3.0 3.0=100 HD2 ARG 79 + HG2 ARG 79 OK 69 69 100 100 2.6-3.0 3.0=100 HD2 ARG 79 + HG3 ARG 79 OK 68 68 100 100 2.2-3.0 3.0=100 HB2 TRP 92 - HG LEU 57 poor 9 47 20 - 3.4-3.8 HB2 PHE 96 - HG2 ARG 79 far 0 66 0 - 6.4-8.8 HB2 PHE 96 - HG LEU 57 far 0 48 0 - 6.8-8.1 HB2 PHE 96 - HG3 ARG 79 far 0 66 0 - 7.7-9.7 HD3 ARG 79 - HG LEU 57 far 0 51 0 - 7.8-11.2 HB2 TRP 92 - HG2 ARG 79 far 0 64 0 - 8.3-9.4 HB2 TRP 92 - HG3 ARG 79 far 0 64 0 - 8.5-10.7 HD2 ARG 79 - HG LEU 57 far 0 50 0 - 8.8-11.9 HB3 HIS 105 - HG2 ARG 79 far 0 62 0 - 9.4-18.6 Violated in 0 structures by 0.00 A. Peak 1355 from cnoeabs.peaks (8.50, 1.53, 26.44 ppm; 3.98 A): 2 out of 16 assignments used, quality = 0.92: * H THR 31 + HG3 ARG 30 OK 85 100 85 100 3.4-4.3 6496=69, 6493/2.9=66...(10) H LEU 2 + HG LEU 2 OK 48 51 100 95 2.1-2.9 6012=73, ~49=36, ~77=28...(10) H ARG 79 - HG3 ARG 79 poor 14 72 20 - 2.6-4.6 H ASN 51 - HG LEU 2 poor 7 27 25 - 3.8-5.1 H ARG 79 - HG2 ARG 79 far 4 72 5 - 3.9-4.8 H LYS 53 - HG LEU 2 far 0 37 0 - 5.0-6.6 H VAL 54 - HG3 ARG 79 far 0 71 0 - 5.9-8.5 H ILE 7 - HG LEU 57 far 0 26 0 - 6.4-6.9 H ILE 7 - HG3 ARG 30 far 0 61 0 - 6.8-7.3 H VAL 54 - HG2 ARG 79 far 0 72 0 - 6.9-8.2 H VAL 32 - HG3 ARG 30 far 0 96 0 - 7.4-8.2 H ARG 79 - HG LEU 57 far 0 53 0 - 8.5-9.5 H VAL 54 - HG LEU 2 far 0 54 0 - 9.1-10.5 H LYS 53 - HG3 ARG 79 far 0 50 0 - 9.1-11.4 H LYS 53 - HG2 ARG 79 far 0 50 0 - 9.6-10.9 H VAL 32 - HG LEU 57 far 0 47 0 - 9.6-10.1 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 2.9-6.0 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 2.0-3.9 1317=100, 1366/1.8=83...(7) HA THR 31 - HD2 ARG 30 far 0 90 0 - 6.0-7.3 HA ILE 56 - HD2 ARG 30 far 0 75 0 - 9.5-11.7 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 2.6-3.6 3.6=100 HB3 LEU 29 - HD2 ARG 30 far 0 100 0 - 5.1-8.5 HG2 ARG 19 - HD2 ARG 30 far 0 94 0 - 6.3-11.2 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 4 assignments used, quality = 1.00: * HB3 ARG 30 + HD2 ARG 30 OK 100 100 100 100 2.5-4.2 3.6=100 HG3 LYS 40 - HD2 ARG 30 far 0 98 0 - 5.5-8.9 HB3 LEU 27 - HD2 ARG 30 far 0 82 0 - 7.7-11.9 HG12 ILE 8 - HD2 ARG 30 far 0 99 0 - 9.7-11.2 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 1 assignment used, quality = 1.00: * HG2 ARG 30 + HD2 ARG 30 OK 100 100 100 100 2.2-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1361 from cnoeabs.peaks (1.53, 2.67, 42.61 ppm; 4.10 A): 1 out of 6 assignments used, quality = 1.00: * HG3 ARG 30 + HD2 ARG 30 OK 100 100 100 100 2.2-3.0 3.0=100 HG LEU 6 - HD2 ARG 30 far 0 100 0 - 5.1-7.3 HB3 GLU 28 - HD2 ARG 30 far 0 71 0 - 5.4-8.8 HB ILE 7 - HD2 ARG 30 far 0 99 0 - 8.3-10.6 HG2 LYS 33 - HD2 ARG 30 far 0 94 0 - 8.9-11.8 HG3 LYS 33 - HD2 ARG 30 far 0 84 0 - 9.3-11.5 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 3.4-5.0 6498/1.8=92, 6497=92...(10) H ILE 7 - HD2 ARG 30 far 0 61 0 - 6.6-8.5 H VAL 32 - HD2 ARG 30 far 0 96 0 - 7.5-8.6 Violated in 0 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 3.9-5.8 3.0/1366=95, 6484/3.6=90...(11) Violated in 2 structures by 0.02 A. Peak 1366 from cnoeabs.peaks (4.91, 3.08, 42.61 ppm; 3.91 A): 1 out of 2 assignments used, quality = 0.99: * HA ARG 30 + HD3 ARG 30 OK 99 100 100 99 2.3-3.7 1318=93, 1317/1.8=69...(8) HA THR 31 - HD3 ARG 30 far 0 90 0 - 5.1-7.2 Violated in 0 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 2.1-3.8 3.6=100 HB3 LEU 29 - HD3 ARG 30 far 0 100 0 - 5.1-8.4 HG2 ARG 19 - HD3 ARG 30 far 0 94 0 - 6.7-10.7 Violated in 0 structures by 0.00 A. Peak 1368 from cnoeabs.peaks (1.37, 3.08, 42.61 ppm; 4.35 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 30 + HD3 ARG 30 OK 100 100 100 100 3.4-4.2 3.6=100 HG3 LYS 40 - HD3 ARG 30 far 0 98 0 - 5.5-9.0 HB3 LEU 27 - HD3 ARG 30 far 0 82 0 - 8.8-12.0 HG12 ILE 8 - HD3 ARG 30 far 0 99 0 - 9.2-11.2 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 2.5-3.0 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 HG LEU 6 - HD3 ARG 30 far 0 100 0 - 6.1-7.2 HB3 GLU 28 - HD3 ARG 30 far 0 71 0 - 6.3-9.1 HG2 LYS 33 - HD3 ARG 30 far 0 94 0 - 8.3-11.3 HG3 LYS 33 - HD3 ARG 30 far 0 84 0 - 8.4-11.1 HB ILE 7 - HD3 ARG 30 far 0 99 0 - 8.5-10.4 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 - 5.2-8.2 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 2.2-4.4 6498=100, 1319/1366=82...(11) H VAL 32 - HD3 ARG 30 far 0 96 0 - 6.5-8.5 H ILE 7 - HD3 ARG 30 far 0 61 0 - 6.6-8.4 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 2.6-2.7 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 2.0-2.1 3.2=100 HB2 LEU 6 - HA THR 31 far 0 59 0 - 6.0-6.5 HB2 LEU 29 - HA THR 31 far 0 93 0 - 7.6-7.9 QG2 THR 34 - HA THR 31 far 0 70 0 - 8.8-9.1 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 2.2-2.3 6505=100, 1383/3.0=42...(6) 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 76 90 100 85 2.8-2.9 8251=53, 6080/8255=30...(7) H LEU 29 - HA THR 31 far 0 79 0 - 8.5-8.9 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 2.6-2.7 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 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 1381 from cnoeabs.peaks (4.24, 4.24, 69.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 31 + HB THR 31 OK 100 100 - 100 Peak 1382 from cnoeabs.peaks (1.14, 4.24, 69.49 ppm; 2.94 A): 1 out of 4 assignments used, quality = 1.00: * QG2 THR 31 + HB THR 31 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 34 - HB THR 31 far 0 70 0 - 7.8-8.1 HB2 LEU 6 - HB THR 31 far 0 59 0 - 8.5-9.0 HB2 LEU 29 - HB THR 31 far 0 93 0 - 9.6-9.8 Violated in 0 structures by 0.00 A. Peak 1383 from cnoeabs.peaks (8.48, 4.24, 69.49 ppm; 3.26 A): 1 out of 3 assignments used, quality = 0.97: * H VAL 32 + HB THR 31 OK 97 100 100 97 2.8-3.1 6506=71, 6505/3.0=55...(8) H THR 31 - HB THR 31 far 5 96 5 - 3.6-3.7 H ILE 7 - HB THR 31 far 0 90 0 - 5.2-5.5 Violated in 0 structures by 0.00 A. Peak 1384 from cnoeabs.peaks (8.50, 1.14, 22.10 ppm; 3.49 A increased from 3.29 A): 3 out of 3 assignments used, quality = 1.00: * H THR 31 + QG2 THR 31 OK 100 100 100 100 3.2-3.4 6501=100, 6500/2.1=59...(7) H VAL 32 + QG2 THR 31 OK 94 96 100 98 3.3-3.6 11065/2.1=72, 6507=71...(6) H ILE 7 + QG2 THR 31 OK 56 61 100 91 3.4-3.7 4.0/8282=43, 4.0/8275=36...(9) Violated in 0 structures by 0.00 A. Peak 1385 from cnoeabs.peaks (4.89, 1.14, 22.10 ppm; 3.32 A): 1 out of 3 assignments used, quality = 1.00: * HA THR 31 + QG2 THR 31 OK 100 100 100 100 2.0-2.1 3.2=100 HA ARG 30 - QG2 THR 31 far 0 90 0 - 4.0-4.2 HA ILE 56 - QG2 THR 31 far 0 99 0 - 7.8-8.1 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; 3.49 A increased from 3.29 A): 3 out of 4 assignments used, quality = 1.00: * H VAL 32 + QG2 THR 31 OK 99 100 100 99 3.3-3.6 6507=76, 1383/2.1=72...(6) H THR 31 + QG2 THR 31 OK 95 96 100 99 3.2-3.4 6501=94, 6500/2.1=55...(7) H ILE 7 + QG2 THR 31 OK 86 90 100 96 3.4-3.7 6080/8282=50...(9) H LEU 29 - QG2 THR 31 far 0 79 0 - 7.0-7.4 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 - 4.9-5.0 H ILE 7 - HA VAL 32 far 0 90 0 - 6.1-6.5 Violated in 0 structures by 0.00 A. Peak 1390 from cnoeabs.peaks (4.41, 4.41, 60.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 32 + HA VAL 32 OK 100 100 - 100 Peak 1391 from cnoeabs.peaks (1.94, 4.41, 60.95 ppm; 3.68 A): 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 63 100 100 2.8-3.3 1.8/10144=58...(21) HB2 LYS 33 - HA VAL 32 far 0 88 0 - 4.9-4.9 HB3 LYS 33 - HA VAL 32 far 0 85 0 - 5.6-5.6 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 2.3-2.4 3.2=100 HG13 ILE 8 - HA VAL 32 far 0 92 0 - 4.5-6.6 HG13 ILE 7 - HA VAL 32 far 0 97 0 - 8.2-9.7 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 2.3-2.4 3.2=100 QD2 LEU 38 - HA VAL 32 far 0 99 0 - 4.3-4.5 QG2 ILE 7 - HA VAL 32 far 0 71 0 - 5.4-5.7 QD1 LEU 38 - HA VAL 32 far 0 79 0 - 6.4-6.7 QG2 ILE 15 - HA VAL 32 far 0 90 0 - 7.1-7.6 QD1 LEU 70 - HA VAL 32 far 0 96 0 - 7.7-8.8 QD2 LEU 70 - HA VAL 32 far 0 87 0 - 9.5-10.7 QD2 LEU 57 - HA VAL 32 far 0 65 0 - 9.6-10.7 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 2.2-2.2 6515=100, 6517/3.2=34...(14) H LEU 6 - HA VAL 32 far 0 99 0 - 9.1-9.2 Violated in 0 structures by 0.00 A. Peak 1395 from cnoeabs.peaks (8.48, 1.94, 34.49 ppm; 3.87 A): 1 out of 8 assignments used, quality = 1.00: * H VAL 32 + HB VAL 32 OK 100 100 100 100 2.6-2.7 6509=100, 1407/2.1=80...(10) H ILE 7 - HB VAL 32 far 0 90 0 - 4.8-5.4 H THR 31 - HB VAL 32 far 0 96 0 - 6.2-6.4 H VAL 32 - HB3 LYS 33 far 0 66 0 - 6.5-6.7 H VAL 32 - HB2 LYS 33 far 0 71 0 - 6.5-6.7 H ALA 67 - HB VAL 32 far 0 100 0 - 8.5-9.4 H THR 31 - HB2 LYS 33 far 0 63 0 - 8.9-9.1 H THR 31 - HB3 LYS 33 far 0 59 0 - 9.3-9.4 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 0 71 0 - 4.9-4.9 HA VAL 32 - HB3 LYS 33 far 0 66 0 - 5.6-5.6 HA SER 9 - HB3 LYS 33 far 0 57 0 - 7.4-7.9 HA SER 9 - HB VAL 32 far 0 94 0 - 7.5-7.8 HA SER 9 - HB2 LYS 33 far 0 62 0 - 8.7-9.2 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 9 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 77 92 85 99 1.9-3.7 2.1/12200=58...(12) QG1 VAL 32 - HB2 LYS 33 far 0 71 0 - 4.3-4.6 QG1 VAL 32 - HB3 LYS 33 far 0 66 0 - 5.0-5.2 HG13 ILE 7 - HB VAL 32 far 0 97 0 - 6.4-8.2 HG13 ILE 8 - HB3 LYS 33 far 0 55 0 - 6.7-9.5 HG13 ILE 8 - HB2 LYS 33 far 0 59 0 - 6.8-9.7 QG2 VAL 5 - HB VAL 32 far 0 57 0 - 9.7-10.0 HG13 ILE 7 - HB3 LYS 33 far 0 60 0 - 9.9-11.6 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 20 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 82 99 100 83 2.4-2.7 1405/2.1=37...(13) QG2 ILE 7 - HB VAL 32 far 0 71 0 - 4.7-5.1 QD1 LEU 38 - HB VAL 32 far 0 79 0 - 5.1-5.4 QG2 VAL 32 - HB2 LYS 33 far 0 71 0 - 6.2-6.4 QD1 LEU 70 - HB VAL 32 far 0 96 0 - 6.6-7.6 QG2 VAL 32 - HB3 LYS 33 far 0 66 0 - 6.8-6.9 QD2 LEU 38 - HB2 LYS 33 far 0 68 0 - 7.3-7.9 QG2 ILE 15 - HB VAL 32 far 0 90 0 - 7.3-7.9 QG2 ILE 7 - HB3 LYS 33 far 0 40 0 - 7.5-7.9 QD2 LEU 57 - HB VAL 32 far 0 65 0 - 7.7-8.5 QD2 LEU 38 - HB3 LYS 33 far 0 64 0 - 7.8-8.3 QG2 ILE 15 - HB3 LYS 33 far 0 53 0 - 7.9-8.6 QG2 ILE 7 - HB2 LYS 33 far 0 43 0 - 8.0-8.3 QG2 ILE 15 - HB2 LYS 33 far 0 57 0 - 8.6-9.2 QD2 LEU 70 - HB VAL 32 far 0 87 0 - 8.7-9.9 QD1 LEU 57 - HB VAL 32 far 0 100 0 - 9.1-9.5 QD1 LEU 38 - HB2 LYS 33 far 0 49 0 - 9.3-9.9 QD1 LEU 70 - HB2 LYS 33 far 0 63 0 - 9.3-10.2 QD1 LEU 70 - HB3 LYS 33 far 0 59 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 1400 from cnoeabs.peaks (9.30, 1.94, 34.49 ppm; 3.54 A): 2 out of 4 assignments used, quality = 0.90: H LYS 33 + HB2 LYS 33 OK 71 71 100 100 2.8-2.9 6520=84, 6523/2.8=54...(17) H LYS 33 + HB3 LYS 33 OK 66 66 100 100 3.7-3.8 6520/1.8=84, 4.1=66...(17) ! H LYS 33 - HB VAL 32 far 0 100 0 - 4.0-4.2 H LEU 6 - HB VAL 32 far 0 99 0 - 7.3-7.5 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 3.8-3.9 4.0=100 H ILE 7 - QG1 VAL 32 far 0 90 0 - 6.0-6.4 H THR 31 - QG1 VAL 32 far 0 96 0 - 6.2-6.4 H ALA 67 - QG1 VAL 32 far 0 100 0 - 6.8-7.6 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 2.3-2.4 3.2=100 HA SER 9 - QG1 VAL 32 far 0 94 0 - 7.0-7.5 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 4 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 1.9-2.1 1.8/8839=44, 3.0/8849=32...(21) HB2 LYS 33 - QG1 VAL 32 far 0 88 0 - 4.3-4.6 HB3 LYS 33 - QG1 VAL 32 far 0 85 0 - 5.0-5.2 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 1.9-2.0 2.1=100 QD2 LEU 38 + QG1 VAL 32 OK 73 99 100 74 1.9-2.3 4.5/8932=15...(16) QD1 LEU 38 - QG1 VAL 32 far 0 79 0 - 3.8-4.1 QD1 LEU 70 - QG1 VAL 32 far 0 96 0 - 4.4-5.3 QG2 ILE 7 - QG1 VAL 32 far 0 71 0 - 5.5-5.9 QD2 LEU 70 - QG1 VAL 32 far 0 87 0 - 6.0-7.0 QG2 ILE 15 - QG1 VAL 32 far 0 90 0 - 7.5-7.9 QD2 LEU 57 - QG1 VAL 32 far 0 65 0 - 7.9-8.5 QD1 ILE 76 - QG1 VAL 32 far 0 75 0 - 8.4-8.7 QD1 LEU 57 - QG1 VAL 32 far 0 100 0 - 9.1-9.4 QD2 LEU 64 - QG1 VAL 32 far 0 75 0 - 9.9-10.4 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 2.0-2.4 6517=100, 6515/3.2=67...(17) H LEU 6 - QG1 VAL 32 far 0 99 0 - 7.7-7.8 Violated in 0 structures by 0.00 A. Peak 1407 from cnoeabs.peaks (8.48, 0.83, 22.02 ppm; 3.41 A): 1 out of 7 assignments used, quality = 0.98: * H VAL 32 + QG2 VAL 32 OK 98 100 100 98 2.8-3.0 6511=65, 6509/2.1=65...(9) H THR 31 - QG2 VAL 32 far 0 96 0 - 4.0-4.3 H ILE 7 - QG2 VAL 32 far 0 90 0 - 4.1-4.4 H ALA 67 - QG2 VAL 32 far 0 100 0 - 7.8-8.4 H LEU 29 - QG2 VAL 32 far 0 79 0 - 9.0-9.3 H ARG 79 - QG2 VAL 32 far 0 93 0 - 9.5-10.0 H VAL 54 - QG2 VAL 32 far 0 99 0 - 9.6-10.0 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 2.3-2.4 3.2=100 HA SER 9 - QG2 VAL 32 far 0 94 0 - 8.2-8.4 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 4 assignments used, quality = 1.00: * HB VAL 32 + QG2 VAL 32 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLU 37 + QG2 VAL 32 OK 59 63 95 97 2.8-3.5 ~8839=29, 8836/2.1=26...(21) HB2 LYS 33 - QG2 VAL 32 far 0 88 0 - 6.2-6.4 HB3 LYS 33 - QG2 VAL 32 far 0 85 0 - 6.8-6.9 Violated in 0 structures by 0.00 A. Peak 1410 from cnoeabs.peaks (0.91, 0.83, 22.02 ppm; 2.76 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 32 + QG2 VAL 32 OK 100 100 100 100 1.9-2.0 2.1=100 HG13 ILE 8 - QG2 VAL 32 far 0 92 0 - 3.5-4.2 HG13 ILE 7 - QG2 VAL 32 far 0 97 0 - 6.7-7.8 QG2 VAL 5 - QG2 VAL 32 far 0 57 0 - 7.6-7.8 QG2 ILE 76 - QG2 VAL 32 far 0 87 0 - 8.3-8.6 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 3.8-4.0 6518=100, 6517/2.1=81...(14) H LEU 6 - QG2 VAL 32 far 0 99 0 - 5.5-5.7 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 4 assignments used, quality = 1.00: HB3 LYS 33 + HA LYS 33 OK 100 100 100 100 2.3-2.3 3.0=98, 2.8/1418=42...(24) * HB2 LYS 33 + HA LYS 33 OK 100 100 100 100 3.0-3.0 3.0=98, 6520/3.0=46...(19) HB VAL 32 - HA LYS 33 far 0 88 0 - 4.8-4.9 HB ILE 8 - HA LYS 33 far 0 90 0 - 6.3-6.9 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 4 assignments used, quality = 1.00: * HB3 LYS 33 + HA LYS 33 OK 100 100 100 100 2.3-2.3 3.0=98, 2.8/1418=42...(24) HB2 LYS 33 + HA LYS 33 OK 100 100 100 100 3.0-3.0 3.0=98, 6521/3.0=46...(19) HB VAL 32 - HA LYS 33 far 0 85 0 - 4.8-4.9 HB ILE 8 - HA LYS 33 far 0 92 0 - 6.3-6.9 Violated in 0 structures by 0.00 A. Peak 1417 from cnoeabs.peaks (1.55, 4.53, 56.85 ppm; 3.83 A increased from 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 33 + HA LYS 33 OK 100 100 100 100 3.7-3.7 1447=100, 1.8/1458=74...(41) HB ILE 7 - HA LYS 33 far 0 84 0 - 9.4-9.9 Violated in 0 structures by 0.00 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 2.7-2.7 1458=69, 1.8/1447=60...(36) HB ILE 7 - HA LYS 33 far 0 94 0 - 9.4-9.9 HD3 LYS 40 - HA LYS 33 far 0 59 0 - 9.8-12.2 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 = 1.00: HD3 LYS 33 + HA LYS 33 OK 100 100 100 100 3.7-4.2 3.0/1418=70, 3.0/1417=62...(46) ! HD2 LYS 33 - HA LYS 33 far 0 100 0 - 4.3-4.9 HG12 ILE 15 - HA LYS 33 far 0 75 0 - 7.0-8.6 HD2 LYS 12 - HA LYS 33 far 0 87 0 - 8.6-12.4 HD3 LYS 12 - HA LYS 33 far 0 87 0 - 9.1-12.1 HB ILE 15 - HA LYS 33 far 0 100 0 - 9.5-10.4 Violated in 2 structures by 0.02 A. Peak 1420 from cnoeabs.peaks (1.72, 4.53, 56.85 ppm; 3.98 A): 1 out of 6 assignments used, quality = 1.00: * HD3 LYS 33 + HA LYS 33 OK 100 100 100 100 3.7-4.2 3.0/1418=70, 3.0/1417=62...(46) HD2 LYS 33 - HA LYS 33 far 0 100 0 - 4.3-4.9 HG12 ILE 15 - HA LYS 33 far 0 75 0 - 7.0-8.6 HD2 LYS 12 - HA LYS 33 far 0 87 0 - 8.6-12.4 HD3 LYS 12 - HA LYS 33 far 0 87 0 - 9.1-12.1 HB ILE 15 - HA LYS 33 far 0 100 0 - 9.5-10.4 Violated in 2 structures by 0.02 A. Peak 1421 from cnoeabs.peaks (3.02, 4.53, 56.85 ppm; 4.29 A): 0 out of 4 assignments used, quality = 0.00: ! HE2 LYS 33 - HA LYS 33 poor 20 100 20 100 3.2-5.9 3.0/1419=68, 3.9/1418=62...(35) HE3 LYS 33 - HA LYS 33 far 10 100 10 - 4.3-6.0 HB2 SER 9 - HA LYS 33 far 0 79 0 - 7.1-7.9 HE2 LYS 12 - HA LYS 33 far 0 98 0 - 8.1-11.6 Violated in 16 structures by 0.28 A. Peak 1422 from cnoeabs.peaks (3.02, 4.53, 56.85 ppm; 4.29 A): 0 out of 4 assignments used, quality = 0.00: HE2 LYS 33 - HA LYS 33 poor 20 100 20 100 3.2-5.9 3.0/1419=68, 3.9/1418=62...(35) ! HE3 LYS 33 - HA LYS 33 far 10 100 10 - 4.3-6.0 HB2 SER 9 - HA LYS 33 far 0 79 0 - 7.1-7.9 HE2 LYS 12 - HA LYS 33 far 0 98 0 - 8.1-11.6 Violated in 16 structures by 0.28 A. Peak 1423 from cnoeabs.peaks (7.25, 4.53, 56.85 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * H THR 34 + HA LYS 33 OK 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 1424 from cnoeabs.peaks (9.30, 1.92, 34.35 ppm; 3.31 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.8-2.9 6520=100, 6530/6532=54...(17) H LYS 33 - HB3 LYS 33 far 0 100 0 - 3.7-3.8 H LYS 33 - HB VAL 32 far 0 71 0 - 4.0-4.2 H LEU 6 - HB VAL 32 far 0 67 0 - 7.3-7.5 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 3.0-3.0 3.0=100 HA LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.3-2.3 3.0=100 HA LYS 33 - HB VAL 32 far 0 71 0 - 4.8-4.9 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 2.2-2.3 2.8=100 HG2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.9-3.0 2.8=100 HG2 LYS 33 - HB VAL 32 far 0 71 0 - 6.2-6.4 HG LEU 6 - HB VAL 32 far 0 56 0 - 6.6-6.8 HB ILE 7 - HB VAL 32 far 0 52 0 - 6.8-7.2 HG12 ILE 56 - HB VAL 32 far 0 62 0 - 8.1-8.4 HG3 ARG 30 - HB VAL 32 far 0 62 0 - 8.5-9.4 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 10 assignments used, quality = 1.00: * HG3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.9-3.0 2.8=100 HG3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.7-2.7 2.8=100 HG3 LYS 33 - HB VAL 32 far 0 71 0 - 5.4-5.6 HG LEU 6 - HB VAL 32 far 0 58 0 - 6.6-6.8 HB ILE 7 - HB VAL 32 far 0 62 0 - 6.8-7.2 HG12 ILE 56 - HB VAL 32 far 0 51 0 - 8.1-8.4 HD3 LYS 40 - HB2 LYS 33 far 0 59 0 - 8.3-10.6 HG3 ARG 30 - HB VAL 32 far 0 52 0 - 8.5-9.4 HD3 LYS 40 - HB VAL 32 far 0 35 0 - 8.7-10.8 HD3 LYS 40 - HB3 LYS 33 far 0 59 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 1430 from cnoeabs.peaks (1.72, 1.92, 34.35 ppm; 3.38 A): 4 out of 14 assignments used, quality = 1.00: HD2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.3-3.5 3.5=86, 1483/2.8=50...(59) HD3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.8-3.7 3.5=86, 1419/3.0=43...(51) HD3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.1-2.6 3.5=86, 1419/3.0=43...(52) * HD2 LYS 33 + HB2 LYS 33 OK 90 100 90 100 2.8-3.7 3.5=86, 1483/2.8=50...(62) HG12 ILE 15 - HB VAL 32 far 0 46 0 - 7.6-9.2 HD3 LYS 33 - HB VAL 32 far 0 71 0 - 7.6-8.2 HB ILE 56 - HB VAL 32 far 0 35 0 - 8.0-8.3 HD2 LYS 33 - HB VAL 32 far 0 71 0 - 8.0-8.5 HG12 ILE 15 - HB3 LYS 33 far 0 75 0 - 8.1-9.4 HD2 LYS 12 - HB3 LYS 33 far 0 87 0 - 8.3-12.1 HD3 LYS 12 - HB3 LYS 33 far 0 87 0 - 8.7-11.8 HG12 ILE 15 - HB2 LYS 33 far 0 75 0 - 9.1-10.7 HD2 LYS 12 - HB2 LYS 33 far 0 87 0 - 9.7-13.3 HG3 ARG 19 - HB VAL 32 far 0 39 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 1431 from cnoeabs.peaks (1.72, 1.92, 34.35 ppm; 3.38 A): 4 out of 14 assignments used, quality = 1.00: HD2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.3-3.5 3.5=86, 1483/2.8=50...(59) * HD3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.8-3.7 3.5=86, 1419/3.0=43...(51) HD3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.1-2.6 3.5=86, 1419/3.0=43...(52) HD2 LYS 33 + HB2 LYS 33 OK 90 100 90 100 2.8-3.7 3.5=86, 1483/2.8=50...(62) HG12 ILE 15 - HB VAL 32 far 0 46 0 - 7.6-9.2 HD3 LYS 33 - HB VAL 32 far 0 71 0 - 7.6-8.2 HB ILE 56 - HB VAL 32 far 0 35 0 - 8.0-8.3 HD2 LYS 33 - HB VAL 32 far 0 71 0 - 8.0-8.5 HG12 ILE 15 - HB3 LYS 33 far 0 75 0 - 8.1-9.4 HD2 LYS 12 - HB3 LYS 33 far 0 87 0 - 8.3-12.1 HD3 LYS 12 - HB3 LYS 33 far 0 87 0 - 8.7-11.8 HG12 ILE 15 - HB2 LYS 33 far 0 75 0 - 9.1-10.7 HD2 LYS 12 - HB2 LYS 33 far 0 87 0 - 9.7-13.3 HG3 ARG 19 - HB VAL 32 far 0 39 0 - 9.9-11.2 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: HE2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.6-4.6 4.8=85, 1422/3.0=68...(54) HE3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 3.8-4.6 4.8=85, ~1422=47...(56) HE3 LYS 33 + HB2 LYS 33 OK 80 100 80 100 4.1-5.1 4.8=85, ~1422=47...(56) * HE2 LYS 33 + HB2 LYS 33 OK 50 100 50 100 4.0-5.1 4.8=85, 1421/3.0=68...(54) HE2 LYS 33 - HB VAL 32 far 0 71 0 - 7.0-9.0 HE2 LYS 12 - HB3 LYS 33 far 0 97 0 - 7.2-10.9 HE3 LYS 33 - HB VAL 32 far 0 71 0 - 7.3-9.2 HB2 SER 9 - HB VAL 32 far 0 49 0 - 7.8-8.5 HB2 SER 9 - HB3 LYS 33 far 0 79 0 - 8.4-9.5 HE2 LYS 12 - HB2 LYS 33 far 0 98 0 - 8.5-12.3 HB2 SER 9 - HB2 LYS 33 far 0 79 0 - 9.8-10.7 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: HE2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.6-4.6 4.8=85, 1422/3.0=68...(54) HE3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 3.8-4.6 4.8=85, ~1422=47...(56) * HE3 LYS 33 + HB2 LYS 33 OK 80 100 80 100 4.1-5.1 4.8=85, ~1422=47...(56) HE2 LYS 33 + HB2 LYS 33 OK 50 100 50 100 4.0-5.1 4.8=85, 1421/3.0=68...(54) HE2 LYS 33 - HB VAL 32 far 0 71 0 - 7.0-9.0 HE2 LYS 12 - HB3 LYS 33 far 0 97 0 - 7.2-10.9 HE3 LYS 33 - HB VAL 32 far 0 71 0 - 7.3-9.2 HB2 SER 9 - HB VAL 32 far 0 49 0 - 7.8-8.5 HB2 SER 9 - HB3 LYS 33 far 0 79 0 - 8.4-9.5 HE2 LYS 12 - HB2 LYS 33 far 0 98 0 - 8.5-12.3 HB2 SER 9 - HB2 LYS 33 far 0 79 0 - 9.8-10.7 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 100 100 100 100 2.8-3.2 6532=100, 6530/6520=72...(9) H THR 34 + HB3 LYS 33 OK 25 100 25 100 4.0-4.3 6532/1.8=89, 4.4=65...(9) H THR 34 - HB VAL 32 far 0 71 0 - 4.7-5.2 Violated in 0 structures by 0.00 A. Peak 1435 from cnoeabs.peaks (9.30, 1.92, 34.35 ppm; 3.31 A): 1 out of 4 assignments used, quality = 1.00: H LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.8-2.9 6521=100, 6530/6533=54...(17) ! H LYS 33 - HB3 LYS 33 far 0 100 0 - 3.7-3.8 H LYS 33 - HB VAL 32 far 0 66 0 - 4.0-4.2 H LEU 6 - HB VAL 32 far 0 62 0 - 7.3-7.5 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 2.3-2.3 3.0=100 HA LYS 33 + HB2 LYS 33 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 33 - HB VAL 32 far 0 66 0 - 4.8-4.9 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 2.9-3.0 2.8=100 HG2 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.2-2.3 2.8=100 HG2 LYS 33 - HB VAL 32 far 0 66 0 - 6.2-6.4 HG LEU 6 - HB VAL 32 far 0 52 0 - 6.6-6.8 HB ILE 7 - HB VAL 32 far 0 48 0 - 6.8-7.2 HG12 ILE 56 - HB VAL 32 far 0 58 0 - 8.1-8.4 HG3 ARG 30 - HB VAL 32 far 0 57 0 - 8.5-9.4 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 10 assignments used, quality = 1.00: * HG3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.7-2.7 2.8=100 HG3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.9-3.0 2.8=100 HG3 LYS 33 - HB VAL 32 far 0 66 0 - 5.4-5.6 HG LEU 6 - HB VAL 32 far 0 54 0 - 6.6-6.8 HB ILE 7 - HB VAL 32 far 0 57 0 - 6.8-7.2 HG12 ILE 56 - HB VAL 32 far 0 47 0 - 8.1-8.4 HD3 LYS 40 - HB2 LYS 33 far 0 59 0 - 8.3-10.6 HG3 ARG 30 - HB VAL 32 far 0 48 0 - 8.5-9.4 HD3 LYS 40 - HB VAL 32 far 0 32 0 - 8.7-10.8 HD3 LYS 40 - HB3 LYS 33 far 0 59 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 1441 from cnoeabs.peaks (1.72, 1.92, 34.35 ppm; 3.38 A): 4 out of 14 assignments used, quality = 1.00: * HD2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.3-3.5 3.5=86, 1483/2.8=50...(59) HD3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.1-2.6 3.5=86, 1419/3.0=43...(52) HD3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.8-3.7 3.5=86, 1420/3.0=43...(51) HD2 LYS 33 + HB2 LYS 33 OK 90 100 90 100 2.8-3.7 3.5=86, 1483/2.8=50...(62) HG12 ILE 15 - HB VAL 32 far 0 42 0 - 7.6-9.2 HD3 LYS 33 - HB VAL 32 far 0 66 0 - 7.6-8.2 HB ILE 56 - HB VAL 32 far 0 32 0 - 8.0-8.3 HD2 LYS 33 - HB VAL 32 far 0 66 0 - 8.0-8.5 HG12 ILE 15 - HB3 LYS 33 far 0 75 0 - 8.1-9.4 HD2 LYS 12 - HB3 LYS 33 far 0 87 0 - 8.3-12.1 HD3 LYS 12 - HB3 LYS 33 far 0 87 0 - 8.7-11.8 HG12 ILE 15 - HB2 LYS 33 far 0 75 0 - 9.1-10.7 HD2 LYS 12 - HB2 LYS 33 far 0 87 0 - 9.7-13.3 HG3 ARG 19 - HB VAL 32 far 0 36 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 1442 from cnoeabs.peaks (1.72, 1.92, 34.35 ppm; 3.38 A): 4 out of 14 assignments used, quality = 1.00: HD2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.3-3.5 3.5=86, 1483/2.8=50...(59) * HD3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.1-2.6 3.5=86, 1419/3.0=43...(52) HD3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.8-3.7 3.5=86, 1420/3.0=43...(51) HD2 LYS 33 + HB2 LYS 33 OK 90 100 90 100 2.8-3.7 3.5=86, 1483/2.8=50...(62) HG12 ILE 15 - HB VAL 32 far 0 42 0 - 7.6-9.2 HD3 LYS 33 - HB VAL 32 far 0 66 0 - 7.6-8.2 HB ILE 56 - HB VAL 32 far 0 32 0 - 8.0-8.3 HD2 LYS 33 - HB VAL 32 far 0 66 0 - 8.0-8.5 HG12 ILE 15 - HB3 LYS 33 far 0 75 0 - 8.1-9.4 HD2 LYS 12 - HB3 LYS 33 far 0 87 0 - 8.3-12.1 HD3 LYS 12 - HB3 LYS 33 far 0 87 0 - 8.7-11.8 HG12 ILE 15 - HB2 LYS 33 far 0 75 0 - 9.1-10.7 HD2 LYS 12 - HB2 LYS 33 far 0 87 0 - 9.7-13.3 HG3 ARG 19 - HB VAL 32 far 0 36 0 - 9.9-11.2 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 2.6-4.6 4.8=85, 1422/3.0=68...(54) HE3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 3.8-4.6 4.8=85, ~1422=47...(56) HE3 LYS 33 + HB2 LYS 33 OK 80 100 80 100 4.1-5.1 4.8=85, ~1422=47...(56) HE2 LYS 33 + HB2 LYS 33 OK 50 100 50 100 4.0-5.1 4.8=85, 1421/3.0=68...(54) HE2 LYS 33 - HB VAL 32 far 0 66 0 - 7.0-9.0 HE2 LYS 12 - HB3 LYS 33 far 0 98 0 - 7.2-10.9 HE3 LYS 33 - HB VAL 32 far 0 66 0 - 7.3-9.2 HB2 SER 9 - HB VAL 32 far 0 45 0 - 7.8-8.5 HB2 SER 9 - HB3 LYS 33 far 0 79 0 - 8.4-9.5 HE2 LYS 12 - HB2 LYS 33 far 0 97 0 - 8.5-12.3 HB2 SER 9 - HB2 LYS 33 far 0 79 0 - 9.8-10.7 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 2.6-4.6 4.8=85, 1422/3.0=68...(54) * HE3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 3.8-4.6 4.8=85, ~1422=47...(56) HE3 LYS 33 + HB2 LYS 33 OK 80 100 80 100 4.1-5.1 4.8=85, ~1422=47...(56) HE2 LYS 33 + HB2 LYS 33 OK 50 100 50 100 4.0-5.1 4.8=85, 1421/3.0=68...(54) HE2 LYS 33 - HB VAL 32 far 0 66 0 - 7.0-9.0 HE2 LYS 12 - HB3 LYS 33 far 0 98 0 - 7.2-10.9 HE3 LYS 33 - HB VAL 32 far 0 66 0 - 7.3-9.2 HB2 SER 9 - HB VAL 32 far 0 45 0 - 7.8-8.5 HB2 SER 9 - HB3 LYS 33 far 0 79 0 - 8.4-9.5 HE2 LYS 12 - HB2 LYS 33 far 0 97 0 - 8.5-12.3 HB2 SER 9 - HB2 LYS 33 far 0 79 0 - 9.8-10.7 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 100 100 100 100 2.8-3.2 6533=100, 6530/6521=72...(9) * H THR 34 + HB3 LYS 33 OK 25 100 25 100 4.0-4.3 6532/1.8=89, 4.4=65...(9) H THR 34 - HB VAL 32 far 0 66 0 - 4.7-5.2 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 2.6-2.8 6522=100, 6523/1.8=91...(20) Violated in 0 structures by 0.00 A. Peak 1447 from cnoeabs.peaks (4.53, 1.55, 24.85 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 33 + HG2 LYS 33 OK 100 100 100 100 3.7-3.7 1417=100, 1418/1.8=85...(41) 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 2.2-2.3 2.8=100 HB3 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.9-3.0 2.8=100 HB VAL 32 - HG2 LYS 33 far 0 88 0 - 6.2-6.4 HB ILE 8 - HG2 LYS 33 far 0 90 0 - 9.3-9.9 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 2.9-3.0 2.8=100 HB2 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.2-2.3 2.8=100 HB VAL 32 - HG2 LYS 33 far 0 85 0 - 6.2-6.4 HB ILE 8 - HG2 LYS 33 far 0 92 0 - 9.3-9.9 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 - 7.4-9.7 HG3 ARG 30 - HG2 LYS 33 far 0 84 0 - 9.5-11.1 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 5 assignments used, quality = 1.00: * HD2 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.3-2.6 3.0=100 HD3 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.7-3.0 3.0=100 HG12 ILE 15 - HG2 LYS 33 far 0 75 0 - 7.9-9.8 HD2 LYS 12 - HG2 LYS 33 far 0 87 0 - 8.8-11.8 HD3 LYS 12 - HG2 LYS 33 far 0 87 0 - 9.4-11.5 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 5 assignments used, quality = 1.00: HD2 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.3-2.6 3.0=100 * HD3 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.7-3.0 3.0=100 HG12 ILE 15 - HG2 LYS 33 far 0 75 0 - 7.9-9.8 HD2 LYS 12 - HG2 LYS 33 far 0 87 0 - 8.8-11.8 HD3 LYS 12 - HG2 LYS 33 far 0 87 0 - 9.4-11.5 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: HE3 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.3-3.7 3.9=100 * HE2 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.5-3.8 3.9=100 HE2 LYS 12 - HG2 LYS 33 far 0 98 0 - 7.6-11.6 HB2 SER 9 - HG2 LYS 33 far 0 79 0 - 9.5-10.2 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: * HE3 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.3-3.7 3.9=100 HE2 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.5-3.8 3.9=100 HE2 LYS 12 - HG2 LYS 33 far 0 98 0 - 7.6-11.6 HB2 SER 9 - HG2 LYS 33 far 0 79 0 - 9.5-10.2 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 3.9-4.2 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 1 assignment used, quality = 1.00: * H LYS 33 + HG3 LYS 33 OK 100 100 100 100 2.8-3.0 6523=100, 6522/1.8=88...(21) 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 2 assignments used, quality = 1.00: * HA LYS 33 + HG3 LYS 33 OK 100 100 100 100 2.7-2.7 1418=100, 1417/1.8=75...(36) HA PHE 45 - HG2 LYS 47 far 0 82 0 - 4.5-5.9 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 21 assignments used, quality = 1.00: * HB2 LYS 33 + HG3 LYS 33 OK 99 100 100 99 2.9-3.0 2.8=87, 3.0/1418=33...(40) HB3 LYS 33 + HG3 LYS 33 OK 99 100 100 99 2.7-2.7 2.8=87, 3.0/1418=33...(40) HB2 LYS 13 + HG3 LYS 13 OK 92 94 100 98 2.3-2.6 3.0=77, 3.0/486=33...(50) HB3 LYS 13 + HG3 LYS 13 OK 91 94 100 97 3.0-3.0 3.0=77, 3.0/486=33...(40) HB3 LYS 47 + HG2 LYS 47 OK 85 87 100 98 2.2-2.7 3.0=77, 2146/6772=23...(72) HB3 LYS 73 + HG2 LYS 73 OK 46 47 100 96 2.7-3.0 2.9=80, 4.1/7207=19...(38) HB2 LYS 20 - HG3 LYS 24 far 0 73 0 - 4.1-8.1 HB2 GLU 43 - HG2 LYS 47 far 0 85 0 - 5.0-6.4 HB3 LYS 20 - HG3 LYS 24 far 0 88 0 - 5.3-8.7 HB VAL 32 - HG3 LYS 33 far 0 88 0 - 5.4-5.6 HB3 LEU 14 - HG3 LYS 13 far 0 88 0 - 6.4-7.1 HB2 LYS 94 - HG3 LYS 24 far 0 95 0 - 7.1-10.9 HB ILE 8 - HG3 LYS 33 far 0 90 0 - 7.9-8.5 HB3 ARG 19 - HG3 LYS 24 far 0 92 0 - 8.2-11.8 HB2 ARG 19 - HG3 LYS 24 far 0 78 0 - 8.3-11.4 HB2 GLU 17 - HG3 LYS 13 far 0 77 0 - 8.9-10.1 HG LEU 42 - HG2 LYS 73 far 0 76 0 - 9.3-10.6 HB2 GLU 17 - HG3 LYS 24 far 0 79 0 - 9.4-12.1 HB ILE 8 - HG2 LYS 66 far 0 60 0 - 9.7-10.8 HB ILE 8 - HG3 LYS 66 far 0 62 0 - 9.7-10.5 HG LEU 42 - HG2 LYS 47 far 0 75 0 - 9.8-11.5 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 20 assignments used, quality = 1.00: HB2 LYS 33 + HG3 LYS 33 OK 99 100 100 99 2.9-3.0 2.8=87, 3.0/1418=33...(40) * HB3 LYS 33 + HG3 LYS 33 OK 99 100 100 99 2.7-2.7 2.8=87, 3.0/1418=33...(40) HB2 LYS 13 + HG3 LYS 13 OK 92 94 100 98 2.3-2.6 3.0=77, 3.0/486=33...(50) HB3 LYS 13 + HG3 LYS 13 OK 91 94 100 97 3.0-3.0 3.0=77, 3.0/486=33...(40) HB3 LYS 47 + HG2 LYS 47 OK 84 86 100 98 2.2-2.7 3.0=77, 2146/6772=23...(72) HB2 LYS 20 - HG3 LYS 24 far 0 76 0 - 4.1-8.1 HB2 GLU 43 - HG2 LYS 47 far 0 86 0 - 5.0-6.4 HB3 LYS 20 - HG3 LYS 24 far 0 86 0 - 5.3-8.7 HB VAL 32 - HG3 LYS 33 far 0 85 0 - 5.4-5.6 HB3 LEU 14 - HG3 LYS 13 far 0 90 0 - 6.4-7.1 HB2 LYS 94 - HG3 LYS 24 far 0 94 0 - 7.1-10.9 HB ILE 8 - HG3 LYS 33 far 0 92 0 - 7.9-8.5 HB3 ARG 19 - HG3 LYS 24 far 0 90 0 - 8.2-11.8 HB2 ARG 19 - HG3 LYS 24 far 0 81 0 - 8.3-11.4 HB2 GLU 17 - HG3 LYS 13 far 0 74 0 - 8.9-10.1 HG LEU 42 - HG2 LYS 73 far 0 79 0 - 9.3-10.6 HB2 GLU 17 - HG3 LYS 24 far 0 76 0 - 9.4-12.1 HB ILE 8 - HG2 LYS 66 far 0 62 0 - 9.7-10.8 HB ILE 8 - HG3 LYS 66 far 0 64 0 - 9.7-10.5 HG LEU 42 - HG2 LYS 47 far 0 77 0 - 9.8-11.5 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 8 assignments used, quality = 1.00: * HG2 LYS 33 + HG3 LYS 33 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 24 + HG3 LYS 24 OK 55 55 100 100 1.8-1.8 1.8=100 HB2 LEU 14 - HG3 LYS 13 far 0 74 0 - 6.4-7.0 HG3 LYS 90 - HG3 LYS 24 far 0 58 0 - 7.7-10.3 HB ILE 7 - HG3 LYS 33 far 0 84 0 - 9.2-9.6 HG3 ARG 30 - HG3 LYS 33 far 0 94 0 - 9.5-10.9 HG2 ARG 19 - HG3 LYS 13 far 0 55 0 - 9.7-13.3 HG2 ARG 19 - HG3 LYS 33 far 0 63 0 - 10.0-10.9 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 26 assignments used, quality = 1.00: * HD2 LYS 33 + HG3 LYS 33 OK 99 100 100 99 2.7-3.0 3.0=79, 1472/1.8=49...(47) HD3 LYS 33 + HG3 LYS 33 OK 99 100 100 99 2.3-3.0 3.0=79, ~1483=25...(48) HD3 LYS 13 + HG3 LYS 13 OK 77 80 100 96 2.3-3.0 3.0=80, 5.5/486=12...(43) HD2 LYS 13 + HG3 LYS 13 OK 74 77 100 96 2.3-3.0 3.0=80, 5.5/486=12...(41) HD3 LYS 24 + HG3 LYS 24 OK 71 73 100 98 2.3-3.0 3.0=80, 4.9/1096=14...(59) HD2 LYS 24 + HG3 LYS 24 OK 69 71 100 97 2.3-3.0 3.0=80, 4.9/1096=14...(57) HD3 LYS 66 + HG3 LYS 66 OK 57 61 100 94 2.8-3.0 2.9=81, 2943/3.0=27...(14) HD3 LYS 66 + HG2 LYS 66 OK 55 58 100 95 2.4-2.9 2.9=81, 2943/3.0=27...(14) HB3 LEU 70 - HG2 LYS 73 far 0 87 0 - 4.4-5.5 HG LEU 70 - HG2 LYS 73 far 0 69 0 - 4.5-5.1 HG LEU 70 - HG3 LYS 66 far 0 57 0 - 5.3-6.1 HG LEU 70 - HG2 LYS 66 far 0 55 0 - 5.6-6.5 HD3 LYS 12 - HG3 LYS 13 far 0 77 0 - 5.8-7.4 HG12 ILE 15 - HG3 LYS 33 far 0 75 0 - 6.3-8.1 HD2 LYS 12 - HG3 LYS 13 far 0 77 0 - 6.5-8.1 HD3 LYS 66 - HG2 LYS 73 far 0 74 0 - 6.7-8.4 HB ILE 15 - HG3 LYS 13 far 0 93 0 - 6.8-7.5 HG2 PRO 86 - HG3 LYS 13 far 0 64 0 - 6.9-8.6 HD2 LYS 12 - HG3 LYS 33 far 0 87 0 - 7.6-10.8 HB3 LEU 70 - HG3 LYS 66 far 0 73 0 - 8.0-8.6 HG12 ILE 15 - HG3 LYS 13 far 0 66 0 - 8.1-9.8 HD3 LYS 12 - HG3 LYS 33 far 0 87 0 - 8.1-10.5 HB3 LEU 70 - HG2 LYS 66 far 0 71 0 - 8.4-9.1 HB ILE 15 - HG3 LYS 33 far 0 100 0 - 8.6-9.1 HB2 LEU 2 - HG2 LYS 47 far 0 72 0 - 9.5-10.9 HG3 ARG 19 - HG3 LYS 24 far 0 58 0 - 9.9-12.8 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 26 assignments used, quality = 1.00: HD2 LYS 33 + HG3 LYS 33 OK 99 100 100 99 2.7-3.0 3.0=79, 1472/1.8=49...(47) * HD3 LYS 33 + HG3 LYS 33 OK 99 100 100 99 2.3-3.0 3.0=79, ~1483=25...(48) HD3 LYS 13 + HG3 LYS 13 OK 77 80 100 96 2.3-3.0 3.0=80, 5.5/486=12...(43) HD2 LYS 13 + HG3 LYS 13 OK 74 77 100 96 2.3-3.0 3.0=80, 5.5/486=12...(41) HD3 LYS 24 + HG3 LYS 24 OK 71 73 100 98 2.3-3.0 3.0=80, 4.9/1096=14...(59) HD2 LYS 24 + HG3 LYS 24 OK 69 71 100 97 2.3-3.0 3.0=80, 4.9/1096=14...(57) HD3 LYS 66 + HG3 LYS 66 OK 57 61 100 94 2.8-3.0 2.9=81, 2943/3.0=27...(14) HD3 LYS 66 + HG2 LYS 66 OK 55 58 100 95 2.4-2.9 2.9=81, 2943/3.0=27...(14) HB3 LEU 70 - HG2 LYS 73 far 0 87 0 - 4.4-5.5 HG LEU 70 - HG2 LYS 73 far 0 69 0 - 4.5-5.1 HG LEU 70 - HG3 LYS 66 far 0 57 0 - 5.3-6.1 HG LEU 70 - HG2 LYS 66 far 0 55 0 - 5.6-6.5 HD3 LYS 12 - HG3 LYS 13 far 0 77 0 - 5.8-7.4 HG12 ILE 15 - HG3 LYS 33 far 0 75 0 - 6.3-8.1 HD2 LYS 12 - HG3 LYS 13 far 0 77 0 - 6.5-8.1 HD3 LYS 66 - HG2 LYS 73 far 0 74 0 - 6.7-8.4 HB ILE 15 - HG3 LYS 13 far 0 93 0 - 6.8-7.5 HG2 PRO 86 - HG3 LYS 13 far 0 64 0 - 6.9-8.6 HD2 LYS 12 - HG3 LYS 33 far 0 87 0 - 7.6-10.8 HB3 LEU 70 - HG3 LYS 66 far 0 73 0 - 8.0-8.6 HG12 ILE 15 - HG3 LYS 13 far 0 66 0 - 8.1-9.8 HD3 LYS 12 - HG3 LYS 33 far 0 87 0 - 8.1-10.5 HB3 LEU 70 - HG2 LYS 66 far 0 71 0 - 8.4-9.1 HB ILE 15 - HG3 LYS 33 far 0 100 0 - 8.6-9.1 HB2 LEU 2 - HG2 LYS 47 far 0 72 0 - 9.5-10.9 HG3 ARG 19 - HG3 LYS 24 far 0 58 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 1465 from cnoeabs.peaks (3.02, 1.50, 24.85 ppm; 3.96 A): 2 out of 11 assignments used, quality = 1.00: * HE2 LYS 33 + HG3 LYS 33 OK 100 100 100 100 2.2-3.7 3.9=100 HE3 LYS 33 + HG3 LYS 33 OK 100 100 100 100 2.3-3.7 3.9=100 HB3 ASP 11 - HG3 LYS 13 poor 14 74 30 64 4.0-5.8 6171/6177=31...(7) HE2 LYS 12 - HG3 LYS 13 far 0 90 0 - 5.6-9.0 HB2 PHE 45 - HG2 LYS 47 far 0 50 0 - 6.0-7.8 HE2 LYS 12 - HG3 LYS 33 far 0 98 0 - 6.7-10.5 HB2 SER 9 - HG3 LYS 33 far 0 79 0 - 7.7-8.5 HB3 ASN 60 - HG2 LYS 66 far 0 38 0 - 8.3-9.3 HB2 SER 9 - HG3 LYS 13 far 0 69 0 - 8.7-10.9 HB3 ASN 60 - HG3 LYS 66 far 0 39 0 - 8.9-9.7 HB3 HIS 106 - HG3 LYS 24 far 0 64 0 - 9.2-35.4 Violated in 0 structures by 0.00 A. Peak 1466 from cnoeabs.peaks (3.02, 1.50, 24.85 ppm; 3.96 A): 2 out of 11 assignments used, quality = 1.00: HE2 LYS 33 + HG3 LYS 33 OK 100 100 100 100 2.2-3.7 3.9=100 * HE3 LYS 33 + HG3 LYS 33 OK 100 100 100 100 2.3-3.7 3.9=100 HB3 ASP 11 - HG3 LYS 13 poor 14 74 30 64 4.0-5.8 6171/6177=31...(7) HE2 LYS 12 - HG3 LYS 13 far 0 90 0 - 5.6-9.0 HB2 PHE 45 - HG2 LYS 47 far 0 50 0 - 6.0-7.8 HE2 LYS 12 - HG3 LYS 33 far 0 98 0 - 6.7-10.5 HB2 SER 9 - HG3 LYS 33 far 0 79 0 - 7.7-8.5 HB3 ASN 60 - HG2 LYS 66 far 0 38 0 - 8.3-9.3 HB2 SER 9 - HG3 LYS 13 far 0 69 0 - 8.7-10.9 HB3 ASN 60 - HG3 LYS 66 far 0 39 0 - 8.9-9.7 HB3 HIS 106 - HG3 LYS 24 far 0 64 0 - 9.2-35.4 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 2 assignments used, quality = 1.00: * H THR 34 + HG3 LYS 33 OK 100 100 100 100 4.4-4.5 4.9=100 H THR 34 - HG3 LYS 66 far 0 76 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 1468 from cnoeabs.peaks (9.30, 1.72, 28.64 ppm; 5.02 A increased from 4.73 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 33 + HD2 LYS 33 OK 100 100 100 100 4.8-5.0 6521/3.5=89, 6523/3.0=89...(23) H LYS 33 + HD3 LYS 33 OK 100 100 100 100 4.9-5.0 6521/3.5=89, 6523/3.0=89...(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 3.7-4.2 1419=100, 1418/3.0=78...(45) * HA LYS 33 + HD2 LYS 33 OK 40 100 40 100 4.3-4.9 1420/1.8=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): 6 out of 33 assignments used, quality = 1.00: HB3 LYS 33 + HD3 LYS 33 OK 99 100 100 99 2.1-2.6 3.5=68, 3.0/1419=36...(43) * HB2 LYS 33 + HD2 LYS 33 OK 90 100 90 100 2.8-3.7 3.5=68, ~1420=22...(49) HB3 LYS 33 + HD2 LYS 33 OK 90 100 90 100 2.3-3.5 3.5=68, ~1420=22...(50) HB2 LYS 33 + HD3 LYS 33 OK 74 100 75 99 2.8-3.7 3.5=68, 3.0/1419=36...(42) HB3 LYS 13 + HD2 LYS 13 OK 44 50 90 99 2.1-3.6 3.6=66, 502/1.8=16...(80) HB3 LYS 13 + HD3 LYS 13 OK 37 54 70 99 2.2-3.7 3.6=66, 501/1.8=16...(79) HB2 LYS 13 - HD2 LYS 13 poor 15 50 30 - 2.5-4.1 HB2 LYS 13 - HD3 LYS 13 poor 13 54 25 - 2.7-4.2 HB2 LYS 20 - HD3 LYS 24 far 2 31 5 - 3.2-9.6 HB3 LYS 20 - HD3 LYS 24 far 0 40 0 - 3.5-9.0 HB2 LYS 20 - HD2 LYS 24 far 0 30 0 - 3.7-8.3 HB3 LYS 20 - HD2 LYS 24 far 0 38 0 - 4.4-7.6 HB2 LYS 94 - HD3 LYS 24 far 0 45 0 - 6.4-10.7 HB2 LYS 94 - HD2 LYS 24 far 0 43 0 - 6.7-11.3 HB3 LEU 14 - HD2 LYS 13 far 0 45 0 - 6.9-8.6 HB2 GLU 17 - HD2 LYS 13 far 0 38 0 - 7.0-10.2 HB2 GLU 17 - HD3 LYS 13 far 0 41 0 - 7.2-10.2 HB3 LEU 14 - HD3 LYS 13 far 0 48 0 - 7.3-8.7 HB VAL 32 - HD3 LYS 33 far 0 88 0 - 7.6-8.2 HB2 ARG 19 - HD3 LYS 24 far 0 34 0 - 7.8-12.5 HB2 ARG 19 - HD2 LYS 24 far 0 32 0 - 7.8-11.5 HB3 ARG 19 - HD3 LYS 24 far 0 43 0 - 8.0-12.6 HB VAL 32 - HD2 LYS 33 far 0 88 0 - 8.0-8.5 HB3 ARG 19 - HD2 LYS 24 far 0 41 0 - 8.1-11.4 HB2 GLU 17 - HD3 LYS 24 far 0 35 0 - 8.5-11.6 HB2 GLU 17 - HD2 LYS 24 far 0 33 0 - 8.8-11.8 HB3 ARG 19 - HD3 LYS 13 far 0 50 0 - 8.9-12.8 HB3 LYS 20 - HD3 LYS 13 far 0 47 0 - 9.1-12.9 HB3 LYS 20 - HD2 LYS 13 far 0 43 0 - 9.2-14.4 HB3 ARG 19 - HD2 LYS 13 far 0 47 0 - 9.2-12.9 HB2 LYS 20 - HD2 LYS 13 far 0 34 0 - 9.3-14.4 HB ILE 8 - HD3 LYS 33 far 0 90 0 - 9.4-10.5 HB2 LYS 20 - HD3 LYS 13 far 0 37 0 - 9.5-13.6 Violated in 0 structures by 0.00 A. Peak 1471 from cnoeabs.peaks (1.92, 1.72, 28.64 ppm; 3.13 A): 6 out of 33 assignments used, quality = 1.00: HB3 LYS 33 + HD3 LYS 33 OK 99 100 100 99 2.1-2.6 3.5=68, 3.0/1419=36...(43) HB2 LYS 33 + HD2 LYS 33 OK 90 100 90 100 2.8-3.7 3.5=68, ~1420=22...(49) * HB3 LYS 33 + HD2 LYS 33 OK 90 100 90 100 2.3-3.5 3.5=68, ~1420=22...(50) HB2 LYS 33 + HD3 LYS 33 OK 74 100 75 99 2.8-3.7 3.5=68, 3.0/1419=36...(42) HB3 LYS 13 + HD2 LYS 13 OK 45 50 90 99 2.1-3.6 3.6=66, 513/1.8=16...(80) HB3 LYS 13 + HD3 LYS 13 OK 37 54 70 99 2.2-3.7 3.6=66, 512/1.8=16...(79) HB2 LYS 13 - HD2 LYS 13 poor 15 50 30 - 2.5-4.1 HB2 LYS 13 - HD3 LYS 13 poor 13 54 25 - 2.7-4.2 HB2 LYS 20 - HD3 LYS 24 far 2 33 5 - 3.2-9.6 HB3 LYS 20 - HD3 LYS 24 far 0 38 0 - 3.5-9.0 HB2 LYS 20 - HD2 LYS 24 far 0 31 0 - 3.7-8.3 HB3 LYS 20 - HD2 LYS 24 far 0 37 0 - 4.4-7.6 HB2 LYS 94 - HD3 LYS 24 far 0 45 0 - 6.4-10.7 HB2 LYS 94 - HD2 LYS 24 far 0 43 0 - 6.7-11.3 HB3 LEU 14 - HD2 LYS 13 far 0 46 0 - 6.9-8.6 HB2 GLU 17 - HD2 LYS 13 far 0 36 0 - 7.0-10.2 HB2 GLU 17 - HD3 LYS 13 far 0 39 0 - 7.2-10.2 HB3 LEU 14 - HD3 LYS 13 far 0 50 0 - 7.3-8.7 HB VAL 32 - HD3 LYS 33 far 0 85 0 - 7.6-8.2 HB2 ARG 19 - HD3 LYS 24 far 0 35 0 - 7.8-12.5 HB2 ARG 19 - HD2 LYS 24 far 0 34 0 - 7.8-11.5 HB3 ARG 19 - HD3 LYS 24 far 0 42 0 - 8.0-12.6 HB VAL 32 - HD2 LYS 33 far 0 85 0 - 8.0-8.5 HB3 ARG 19 - HD2 LYS 24 far 0 40 0 - 8.1-11.4 HB2 GLU 17 - HD3 LYS 24 far 0 33 0 - 8.5-11.6 HB2 GLU 17 - HD2 LYS 24 far 0 31 0 - 8.8-11.8 HB3 ARG 19 - HD3 LYS 13 far 0 49 0 - 8.9-12.8 HB3 LYS 20 - HD3 LYS 13 far 0 45 0 - 9.1-12.9 HB3 LYS 20 - HD2 LYS 13 far 0 42 0 - 9.2-14.4 HB3 ARG 19 - HD2 LYS 13 far 0 45 0 - 9.2-12.9 HB2 LYS 20 - HD2 LYS 13 far 0 36 0 - 9.3-14.4 HB ILE 8 - HD3 LYS 33 far 0 92 0 - 9.4-10.5 HB2 LYS 20 - HD3 LYS 13 far 0 39 0 - 9.5-13.6 Violated in 0 structures by 0.00 A. Peak 1472 from cnoeabs.peaks (1.55, 1.72, 28.64 ppm; 2.70 A): 2 out of 14 assignments used, quality = 0.98: * HG2 LYS 33 + HD2 LYS 33 OK 97 100 100 97 2.3-2.6 3.0=76, 1494/3.0=16...(43) HG2 LYS 33 + HD3 LYS 33 OK 34 100 35 97 2.7-3.0 3.0=76, 1417/1420=20...(43) HG2 LYS 24 - HD3 LYS 24 poor 17 22 75 - 2.3-3.0 HG2 LYS 24 - HD2 LYS 24 poor 15 21 70 - 2.3-3.0 HG3 LYS 90 - HD3 LYS 24 far 0 24 0 - 6.2-9.4 HB2 LEU 14 - HD2 LYS 13 far 0 36 0 - 6.2-8.2 HB2 LEU 14 - HD3 LYS 13 far 0 39 0 - 6.4-8.4 HG3 LYS 90 - HD2 LYS 24 far 0 23 0 - 6.7-10.1 HG2 ARG 19 - HD3 LYS 13 far 0 27 0 - 8.8-14.6 HG2 ARG 19 - HD2 LYS 13 far 0 25 0 - 9.5-15.1 HG3 LYS 90 - HD2 LYS 13 far 0 26 0 - 9.6-13.1 HG2 ARG 19 - HD2 LYS 24 far 0 22 0 - 9.7-13.2 HG2 ARG 19 - HD3 LYS 24 far 0 23 0 - 9.7-14.3 HG3 LYS 90 - HD3 LYS 13 far 0 28 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 1473 from cnoeabs.peaks (1.50, 1.72, 28.64 ppm; 2.65 A): 5 out of 9 assignments used, quality = 0.97: HG3 LYS 33 + HD3 LYS 33 OK 86 100 90 95 2.3-3.0 3.0=72, 1418/1419=22...(42) HG3 LYS 13 + HD3 LYS 13 OK 35 53 70 95 2.3-3.0 3.0=72, 486/5.5=11...(40) HG3 LYS 13 + HD2 LYS 13 OK 30 49 65 95 2.3-3.0 3.0=72, 486/5.5=11...(40) HG3 LYS 24 + HD2 LYS 24 OK 27 43 65 95 2.3-3.0 3.0=72, 1096/4.9=14...(47) HG3 LYS 24 + HD3 LYS 24 OK 26 46 60 95 2.3-3.0 3.0=72, 1096/4.9=14...(50) ! HG3 LYS 33 - HD2 LYS 33 far 10 100 10 - 2.7-3.0 HB2 LEU 14 - HD2 LYS 13 far 0 43 0 - 6.2-8.2 HB2 LEU 14 - HD3 LYS 13 far 0 46 0 - 6.4-8.4 HD3 LYS 40 - HD2 LYS 33 far 0 59 0 - 9.3-11.7 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 13 assignments used, quality = 1.00: HE3 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ASP 11 - HD2 LYS 13 far 0 36 0 - 4.4-7.2 HE2 LYS 12 - HD3 LYS 33 far 0 98 0 - 5.1-9.0 HB3 ASP 11 - HD3 LYS 13 far 0 39 0 - 5.6-7.5 HE2 LYS 12 - HD2 LYS 33 far 0 98 0 - 6.1-10.1 HE2 LYS 12 - HD2 LYS 13 far 0 46 0 - 7.6-11.5 HB2 SER 9 - HD3 LYS 33 far 0 79 0 - 8.0-10.0 HE2 LYS 12 - HD3 LYS 13 far 0 50 0 - 8.4-11.8 HB2 SER 9 - HD2 LYS 33 far 0 79 0 - 9.3-10.8 HB2 SER 9 - HD2 LYS 13 far 0 33 0 - 9.5-12.2 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 13 assignments used, quality = 1.00: * HE3 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ASP 11 - HD2 LYS 13 far 0 36 0 - 4.4-7.2 HE2 LYS 12 - HD3 LYS 33 far 0 98 0 - 5.1-9.0 HB3 ASP 11 - HD3 LYS 13 far 0 39 0 - 5.6-7.5 HE2 LYS 12 - HD2 LYS 33 far 0 98 0 - 6.1-10.1 HE2 LYS 12 - HD2 LYS 13 far 0 46 0 - 7.6-11.5 HB2 SER 9 - HD3 LYS 33 far 0 79 0 - 8.0-10.0 HE2 LYS 12 - HD3 LYS 13 far 0 50 0 - 8.4-11.8 HB2 SER 9 - HD2 LYS 33 far 0 79 0 - 9.3-10.8 HB2 SER 9 - HD2 LYS 13 far 0 33 0 - 9.5-12.2 Violated in 0 structures by 0.00 A. Peak 1478 from cnoeabs.peaks (7.25, 1.72, 28.64 ppm; 6.10 A): 2 out of 2 assignments used, quality = 1.00: * H THR 34 + HD2 LYS 33 OK 100 100 100 100 5.6-6.3 6533/3.5=99, 6534/3.0=95...(9) H THR 34 + HD3 LYS 33 OK 100 100 100 100 5.7-6.2 6532/3.5=99, 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; 5.02 A increased from 4.73 A): 2 out of 2 assignments used, quality = 1.00: H LYS 33 + HD2 LYS 33 OK 100 100 100 100 4.8-5.0 6521/3.5=89, 6523/3.0=89...(23) * H LYS 33 + HD3 LYS 33 OK 100 100 100 100 4.9-5.0 6521/3.5=89, 6523/3.0=89...(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 3.7-4.2 1419=100, 1418/3.0=78...(45) HA LYS 33 + HD2 LYS 33 OK 40 100 40 100 4.3-4.9 1420/1.8=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): 6 out of 33 assignments used, quality = 1.00: HB3 LYS 33 + HD3 LYS 33 OK 99 100 100 99 2.1-2.6 3.5=68, 3.0/1419=36...(43) HB2 LYS 33 + HD2 LYS 33 OK 90 100 90 100 2.8-3.7 3.5=68, ~1420=22...(49) HB3 LYS 33 + HD2 LYS 33 OK 90 100 90 100 2.3-3.5 3.5=68, ~1420=22...(50) * HB2 LYS 33 + HD3 LYS 33 OK 74 100 75 99 2.8-3.7 3.5=68, 3.0/1419=36...(42) HB3 LYS 13 + HD2 LYS 13 OK 44 50 90 99 2.1-3.6 3.6=66, 502/1.8=16...(80) HB3 LYS 13 + HD3 LYS 13 OK 37 54 70 99 2.2-3.7 3.6=66, 501/1.8=16...(79) HB2 LYS 13 - HD2 LYS 13 poor 15 50 30 - 2.5-4.1 HB2 LYS 13 - HD3 LYS 13 poor 13 54 25 - 2.7-4.2 HB2 LYS 20 - HD3 LYS 24 far 2 31 5 - 3.2-9.6 HB3 LYS 20 - HD3 LYS 24 far 0 40 0 - 3.5-9.0 HB2 LYS 20 - HD2 LYS 24 far 0 30 0 - 3.7-8.3 HB3 LYS 20 - HD2 LYS 24 far 0 38 0 - 4.4-7.6 HB2 LYS 94 - HD3 LYS 24 far 0 45 0 - 6.4-10.7 HB2 LYS 94 - HD2 LYS 24 far 0 43 0 - 6.7-11.3 HB3 LEU 14 - HD2 LYS 13 far 0 45 0 - 6.9-8.6 HB2 GLU 17 - HD2 LYS 13 far 0 38 0 - 7.0-10.2 HB2 GLU 17 - HD3 LYS 13 far 0 41 0 - 7.2-10.2 HB3 LEU 14 - HD3 LYS 13 far 0 48 0 - 7.3-8.7 HB VAL 32 - HD3 LYS 33 far 0 88 0 - 7.6-8.2 HB2 ARG 19 - HD3 LYS 24 far 0 34 0 - 7.8-12.5 HB2 ARG 19 - HD2 LYS 24 far 0 32 0 - 7.8-11.5 HB3 ARG 19 - HD3 LYS 24 far 0 43 0 - 8.0-12.6 HB VAL 32 - HD2 LYS 33 far 0 88 0 - 8.0-8.5 HB3 ARG 19 - HD2 LYS 24 far 0 41 0 - 8.1-11.4 HB2 GLU 17 - HD3 LYS 24 far 0 35 0 - 8.5-11.6 HB2 GLU 17 - HD2 LYS 24 far 0 33 0 - 8.8-11.8 HB3 ARG 19 - HD3 LYS 13 far 0 50 0 - 8.9-12.8 HB3 LYS 20 - HD3 LYS 13 far 0 47 0 - 9.1-12.9 HB3 LYS 20 - HD2 LYS 13 far 0 43 0 - 9.2-14.4 HB3 ARG 19 - HD2 LYS 13 far 0 47 0 - 9.2-12.9 HB2 LYS 20 - HD2 LYS 13 far 0 34 0 - 9.3-14.4 HB ILE 8 - HD3 LYS 33 far 0 90 0 - 9.4-10.5 HB2 LYS 20 - HD3 LYS 13 far 0 37 0 - 9.5-13.6 Violated in 0 structures by 0.00 A. Peak 1482 from cnoeabs.peaks (1.92, 1.72, 28.64 ppm; 3.13 A): 6 out of 33 assignments used, quality = 1.00: * HB3 LYS 33 + HD3 LYS 33 OK 99 100 100 99 2.1-2.6 3.5=68, 3.0/1419=36...(43) HB2 LYS 33 + HD2 LYS 33 OK 90 100 90 100 2.8-3.7 3.5=68, ~1420=22...(49) HB3 LYS 33 + HD2 LYS 33 OK 90 100 90 100 2.3-3.5 3.5=68, ~1420=22...(50) HB2 LYS 33 + HD3 LYS 33 OK 74 100 75 99 2.8-3.7 3.5=68, 3.0/1419=36...(42) HB3 LYS 13 + HD2 LYS 13 OK 45 50 90 99 2.1-3.6 3.6=66, 513/1.8=16...(80) HB3 LYS 13 + HD3 LYS 13 OK 37 54 70 99 2.2-3.7 3.6=66, 512/1.8=16...(79) HB2 LYS 13 - HD2 LYS 13 poor 15 50 30 - 2.5-4.1 HB2 LYS 13 - HD3 LYS 13 poor 13 54 25 - 2.7-4.2 HB2 LYS 20 - HD3 LYS 24 far 2 33 5 - 3.2-9.6 HB3 LYS 20 - HD3 LYS 24 far 0 38 0 - 3.5-9.0 HB2 LYS 20 - HD2 LYS 24 far 0 31 0 - 3.7-8.3 HB3 LYS 20 - HD2 LYS 24 far 0 37 0 - 4.4-7.6 HB2 LYS 94 - HD3 LYS 24 far 0 45 0 - 6.4-10.7 HB2 LYS 94 - HD2 LYS 24 far 0 43 0 - 6.7-11.3 HB3 LEU 14 - HD2 LYS 13 far 0 46 0 - 6.9-8.6 HB2 GLU 17 - HD2 LYS 13 far 0 36 0 - 7.0-10.2 HB2 GLU 17 - HD3 LYS 13 far 0 39 0 - 7.2-10.2 HB3 LEU 14 - HD3 LYS 13 far 0 50 0 - 7.3-8.7 HB VAL 32 - HD3 LYS 33 far 0 85 0 - 7.6-8.2 HB2 ARG 19 - HD3 LYS 24 far 0 35 0 - 7.8-12.5 HB2 ARG 19 - HD2 LYS 24 far 0 34 0 - 7.8-11.5 HB3 ARG 19 - HD3 LYS 24 far 0 42 0 - 8.0-12.6 HB VAL 32 - HD2 LYS 33 far 0 85 0 - 8.0-8.5 HB3 ARG 19 - HD2 LYS 24 far 0 40 0 - 8.1-11.4 HB2 GLU 17 - HD3 LYS 24 far 0 33 0 - 8.5-11.6 HB2 GLU 17 - HD2 LYS 24 far 0 31 0 - 8.8-11.8 HB3 ARG 19 - HD3 LYS 13 far 0 49 0 - 8.9-12.8 HB3 LYS 20 - HD3 LYS 13 far 0 45 0 - 9.1-12.9 HB3 LYS 20 - HD2 LYS 13 far 0 42 0 - 9.2-14.4 HB3 ARG 19 - HD2 LYS 13 far 0 45 0 - 9.2-12.9 HB2 LYS 20 - HD2 LYS 13 far 0 36 0 - 9.3-14.4 HB ILE 8 - HD3 LYS 33 far 0 92 0 - 9.4-10.5 HB2 LYS 20 - HD3 LYS 13 far 0 39 0 - 9.5-13.6 Violated in 0 structures by 0.00 A. Peak 1483 from cnoeabs.peaks (1.55, 1.72, 28.64 ppm; 2.70 A): 2 out of 14 assignments used, quality = 0.98: HG2 LYS 33 + HD2 LYS 33 OK 97 100 100 97 2.3-2.6 3.0=76, 1494/3.0=16...(43) * HG2 LYS 33 + HD3 LYS 33 OK 34 100 35 97 2.7-3.0 3.0=76, 1417/1420=20...(43) HG2 LYS 24 - HD3 LYS 24 poor 17 22 75 - 2.3-3.0 HG2 LYS 24 - HD2 LYS 24 poor 15 21 70 - 2.3-3.0 HG3 LYS 90 - HD3 LYS 24 far 0 24 0 - 6.2-9.4 HB2 LEU 14 - HD2 LYS 13 far 0 36 0 - 6.2-8.2 HB2 LEU 14 - HD3 LYS 13 far 0 39 0 - 6.4-8.4 HG3 LYS 90 - HD2 LYS 24 far 0 23 0 - 6.7-10.1 HG2 ARG 19 - HD3 LYS 13 far 0 27 0 - 8.8-14.6 HG2 ARG 19 - HD2 LYS 13 far 0 25 0 - 9.5-15.1 HG3 LYS 90 - HD2 LYS 13 far 0 26 0 - 9.6-13.1 HG2 ARG 19 - HD2 LYS 24 far 0 22 0 - 9.7-13.2 HG2 ARG 19 - HD3 LYS 24 far 0 23 0 - 9.7-14.3 HG3 LYS 90 - HD3 LYS 13 far 0 28 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 1484 from cnoeabs.peaks (1.50, 1.72, 28.64 ppm; 2.65 A): 5 out of 9 assignments used, quality = 0.97: * HG3 LYS 33 + HD3 LYS 33 OK 86 100 90 95 2.3-3.0 3.0=72, 1418/1419=22...(42) HG3 LYS 13 + HD3 LYS 13 OK 35 53 70 95 2.3-3.0 3.0=72, 486/5.5=11...(40) HG3 LYS 13 + HD2 LYS 13 OK 30 49 65 95 2.3-3.0 3.0=72, 486/5.5=11...(40) HG3 LYS 24 + HD2 LYS 24 OK 27 43 65 95 2.3-3.0 3.0=72, 1096/4.9=14...(47) HG3 LYS 24 + HD3 LYS 24 OK 26 46 60 95 2.3-3.0 3.0=72, 1096/4.9=14...(50) HG3 LYS 33 - HD2 LYS 33 far 10 100 10 - 2.7-3.0 HB2 LEU 14 - HD2 LYS 13 far 0 43 0 - 6.2-8.2 HB2 LEU 14 - HD3 LYS 13 far 0 46 0 - 6.4-8.4 HD3 LYS 40 - HD2 LYS 33 far 0 59 0 - 9.3-11.7 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 13 assignments used, quality = 1.00: HE3 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ASP 11 - HD2 LYS 13 far 0 36 0 - 4.4-7.2 HE2 LYS 12 - HD3 LYS 33 far 0 98 0 - 5.1-9.0 HB3 ASP 11 - HD3 LYS 13 far 0 39 0 - 5.6-7.5 HE2 LYS 12 - HD2 LYS 33 far 0 98 0 - 6.1-10.1 HE2 LYS 12 - HD2 LYS 13 far 0 46 0 - 7.6-11.5 HB2 SER 9 - HD3 LYS 33 far 0 79 0 - 8.0-10.0 HE2 LYS 12 - HD3 LYS 13 far 0 50 0 - 8.4-11.8 HB2 SER 9 - HD2 LYS 33 far 0 79 0 - 9.3-10.8 HB2 SER 9 - HD2 LYS 13 far 0 33 0 - 9.5-12.2 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 13 assignments used, quality = 1.00: HE3 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.4-3.0 3.0=100 * HE3 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ASP 11 - HD2 LYS 13 far 0 36 0 - 4.4-7.2 HE2 LYS 12 - HD3 LYS 33 far 0 98 0 - 5.1-9.0 HB3 ASP 11 - HD3 LYS 13 far 0 39 0 - 5.6-7.5 HE2 LYS 12 - HD2 LYS 33 far 0 98 0 - 6.1-10.1 HE2 LYS 12 - HD2 LYS 13 far 0 46 0 - 7.6-11.5 HB2 SER 9 - HD3 LYS 33 far 0 79 0 - 8.0-10.0 HE2 LYS 12 - HD3 LYS 13 far 0 50 0 - 8.4-11.8 HB2 SER 9 - HD2 LYS 33 far 0 79 0 - 9.3-10.8 HB2 SER 9 - HD2 LYS 13 far 0 33 0 - 9.5-12.2 Violated in 0 structures by 0.00 A. Peak 1489 from cnoeabs.peaks (7.25, 1.72, 28.64 ppm; 6.10 A): 2 out of 2 assignments used, quality = 1.00: H THR 34 + HD2 LYS 33 OK 100 100 100 100 5.6-6.3 6533/3.5=99, 6534/3.0=95...(9) * H THR 34 + HD3 LYS 33 OK 100 100 100 100 5.7-6.2 6532/3.5=99, 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; 5.66 A increased from 5.32 A): 2 out of 3 assignments used, quality = 0.96: H LYS 33 + HE3 LYS 33 OK 85 100 85 100 4.9-6.2 6523/3.9=87, 6522/3.9=87...(17) * H LYS 33 + HE2 LYS 33 OK 75 100 75 100 4.8-6.4 3.0/1421=91, 6523/3.9=87...(15) H LYS 33 - HE2 LYS 12 far 0 95 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 1491 from cnoeabs.peaks (4.53, 3.02, 41.80 ppm; 5.78 A increased from 4.86 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 33 + HE2 LYS 33 OK 100 100 100 100 3.2-5.9 1421=100, 1419/3.0=96...(34) HA LYS 33 + HE3 LYS 33 OK 100 100 100 100 4.3-6.0 1422/1.8=100...(35) HA LYS 33 - HE2 LYS 12 far 0 95 0 - 8.1-11.6 Violated in 0 structures by 0.00 A. Peak 1492 from cnoeabs.peaks (1.92, 3.02, 41.80 ppm; 4.68 A increased from 3.94 A): 4 out of 17 assignments used, quality = 1.00: HB3 LYS 33 + HE2 LYS 33 OK 100 100 100 100 2.6-4.6 4.8=94, 3.0/1422=72...(49) HB3 LYS 33 + HE3 LYS 33 OK 100 100 100 100 3.8-4.6 4.8=94, ~1422=50...(51) HB2 LYS 33 + HE3 LYS 33 OK 85 100 85 100 4.1-5.1 4.8=94, ~1422=50...(51) * HB2 LYS 33 + HE2 LYS 33 OK 75 100 75 100 4.0-5.1 4.8=94, 3.0/1421=72...(49) HB2 LYS 13 - HE2 LYS 12 far 0 94 0 - 6.1-9.9 HB VAL 32 - HE2 LYS 33 far 0 88 0 - 7.0-9.0 HB3 LYS 33 - HE2 LYS 12 far 0 94 0 - 7.2-10.9 HB VAL 32 - HE3 LYS 33 far 0 88 0 - 7.3-9.2 HB3 LEU 14 - HE2 LYS 12 far 0 88 0 - 7.4-10.2 HB3 LYS 13 - HE2 LYS 12 far 0 94 0 - 7.5-10.7 HB3 ARG 19 - HE2 LYS 12 far 0 91 0 - 8.0-11.8 HB2 LYS 33 - HE2 LYS 12 far 0 95 0 - 8.5-12.3 HB ILE 8 - HE2 LYS 33 far 0 90 0 - 8.5-11.5 HB2 ARG 19 - HE2 LYS 12 far 0 76 0 - 8.8-12.7 HB ILE 8 - HE3 LYS 33 far 0 90 0 - 9.2-11.8 HB3 LEU 14 - HE2 LYS 33 far 0 96 0 - 9.5-12.1 HB3 LEU 14 - HE3 LYS 33 far 0 96 0 - 9.5-13.1 Violated in 0 structures by 0.00 A. Peak 1493 from cnoeabs.peaks (1.92, 3.02, 41.80 ppm; 4.68 A increased from 3.94 A): 4 out of 17 assignments used, quality = 1.00: * HB3 LYS 33 + HE2 LYS 33 OK 100 100 100 100 2.6-4.6 4.8=94, 3.0/1422=72...(49) HB3 LYS 33 + HE3 LYS 33 OK 100 100 100 100 3.8-4.6 4.8=94, ~1422=50...(51) HB2 LYS 33 + HE3 LYS 33 OK 85 100 85 100 4.1-5.1 4.8=94, ~1422=50...(51) HB2 LYS 33 + HE2 LYS 33 OK 75 100 75 100 4.0-5.1 4.8=94, 3.0/1421=72...(49) HB2 LYS 13 - HE2 LYS 12 far 0 94 0 - 6.1-9.9 HB VAL 32 - HE2 LYS 33 far 0 85 0 - 7.0-9.0 HB3 LYS 33 - HE2 LYS 12 far 0 95 0 - 7.2-10.9 HB VAL 32 - HE3 LYS 33 far 0 85 0 - 7.3-9.2 HB3 LEU 14 - HE2 LYS 12 far 0 90 0 - 7.4-10.2 HB3 LYS 13 - HE2 LYS 12 far 0 94 0 - 7.5-10.7 HB3 ARG 19 - HE2 LYS 12 far 0 89 0 - 8.0-11.8 HB2 LYS 33 - HE2 LYS 12 far 0 94 0 - 8.5-12.3 HB ILE 8 - HE2 LYS 33 far 0 92 0 - 8.5-11.5 HB2 ARG 19 - HE2 LYS 12 far 0 79 0 - 8.8-12.7 HB ILE 8 - HE3 LYS 33 far 0 92 0 - 9.2-11.8 HB3 LEU 14 - HE2 LYS 33 far 0 98 0 - 9.5-12.1 HB3 LEU 14 - HE3 LYS 33 far 0 98 0 - 9.5-13.1 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 11 assignments used, quality = 1.00: * HG2 LYS 33 + HE2 LYS 33 OK 99 100 100 99 2.5-3.8 3.9=71, 1483/3.0=51...(38) HG2 LYS 33 + HE3 LYS 33 OK 99 100 100 99 2.3-3.7 3.9=71, 1483/3.0=51...(38) HG2 ARG 19 - HE2 LYS 12 far 0 55 0 - 6.4-11.5 HG2 LYS 33 - HE2 LYS 12 far 0 95 0 - 7.6-11.6 HB2 LEU 14 - HE2 LYS 12 far 0 75 0 - 8.7-11.6 HG2 ARG 19 - HE2 LYS 33 far 0 63 0 - 9.0-11.0 HG2 ARG 19 - HE3 LYS 33 far 0 63 0 - 9.1-11.3 HB ILE 7 - HE3 LYS 33 far 0 84 0 - 9.3-11.9 HB ILE 7 - HE2 LYS 12 far 0 75 0 - 9.3-13.5 HB ILE 7 - HE2 LYS 33 far 0 84 0 - 9.5-11.5 HG3 ARG 30 - HE3 LYS 33 far 0 94 0 - 9.5-12.2 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 + HE2 LYS 33 OK 99 100 100 99 2.2-3.7 3.9=78, 1418/1421=41...(28) HG3 LYS 33 + HE3 LYS 33 OK 99 100 100 99 2.3-3.7 3.9=78, 1484/3.0=31...(28) HG3 LYS 13 - HE2 LYS 12 far 0 93 0 - 5.6-9.0 HG3 LYS 33 - HE2 LYS 12 far 0 95 0 - 6.7-10.5 HB2 LEU 14 - HE2 LYS 12 far 0 85 0 - 8.7-11.6 HD3 LYS 40 - HE3 LYS 33 far 0 59 0 - 8.7-12.4 HD3 LYS 40 - HE2 LYS 33 far 0 59 0 - 9.1-13.1 HB ILE 7 - HE3 LYS 33 far 0 94 0 - 9.3-11.9 HB ILE 7 - HE2 LYS 12 far 0 85 0 - 9.3-13.5 HB ILE 7 - HE2 LYS 33 far 0 94 0 - 9.5-11.5 HG3 ARG 30 - HE3 LYS 33 far 0 84 0 - 9.5-12.2 Violated in 0 structures by 0.00 A. Peak 1496 from cnoeabs.peaks (1.72, 3.02, 41.80 ppm; 2.80 A): 6 out of 23 assignments used, quality = 1.00: HD2 LYS 33 + HE3 LYS 33 OK 94 100 100 94 2.3-3.0 3.0=86, 1483/3.9=22...(21) * HD2 LYS 33 + HE2 LYS 33 OK 94 100 100 94 2.4-3.0 3.0=86, 1472/3.9=22...(21) HD3 LYS 33 + HE3 LYS 33 OK 94 100 100 94 2.4-3.0 3.0=86, 1473/3.9=13...(21) HD3 LYS 33 + HE2 LYS 33 OK 94 100 100 94 2.3-3.0 3.0=86, 1473/3.9=13...(21) HD3 LYS 12 + HE2 LYS 12 OK 75 78 100 97 2.3-3.0 3.0=83, 3.0/463=28...(44) HD2 LYS 12 + HE2 LYS 12 OK 75 78 100 97 2.4-3.0 3.0=83, 3.0/463=28...(44) HB ILE 15 - HE2 LYS 12 far 0 94 0 - 3.3-6.8 HG12 ILE 15 - HE2 LYS 12 far 0 66 0 - 4.5-8.3 HD3 LYS 33 - HE2 LYS 12 far 0 95 0 - 5.1-9.0 HG12 ILE 15 - HE3 LYS 33 far 0 75 0 - 5.6-8.5 HG12 ILE 15 - HE2 LYS 33 far 0 75 0 - 5.7-7.9 HD2 LYS 12 - HE2 LYS 33 far 0 87 0 - 5.8-9.6 HD2 LYS 12 - HE3 LYS 33 far 0 87 0 - 6.1-10.4 HD2 LYS 33 - HE2 LYS 12 far 0 95 0 - 6.1-10.1 HD3 LYS 12 - HE2 LYS 33 far 0 87 0 - 6.5-8.4 HD3 LYS 12 - HE3 LYS 33 far 0 87 0 - 6.6-9.3 HB ILE 15 - HE3 LYS 33 far 0 100 0 - 6.8-10.0 HB ILE 15 - HE2 LYS 33 far 0 100 0 - 7.0-8.7 HD2 LYS 13 - HE2 LYS 12 far 0 78 0 - 7.6-11.5 HG3 ARG 19 - HE2 LYS 12 far 0 57 0 - 7.7-11.8 HD3 LYS 13 - HE2 LYS 12 far 0 81 0 - 8.4-11.8 HG3 ARG 19 - HE3 LYS 33 far 0 65 0 - 9.2-11.5 HG3 ARG 19 - HE2 LYS 33 far 0 65 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 1497 from cnoeabs.peaks (1.72, 3.02, 41.80 ppm; 2.80 A): 6 out of 23 assignments used, quality = 1.00: HD2 LYS 33 + HE3 LYS 33 OK 94 100 100 94 2.3-3.0 3.0=86, 1483/3.9=22...(21) HD2 LYS 33 + HE2 LYS 33 OK 94 100 100 94 2.4-3.0 3.0=86, 1472/3.9=22...(21) HD3 LYS 33 + HE3 LYS 33 OK 94 100 100 94 2.4-3.0 3.0=86, 1473/3.9=13...(21) * HD3 LYS 33 + HE2 LYS 33 OK 94 100 100 94 2.3-3.0 3.0=86, 1473/3.9=13...(21) HD3 LYS 12 + HE2 LYS 12 OK 75 78 100 97 2.3-3.0 3.0=83, 3.0/463=28...(44) HD2 LYS 12 + HE2 LYS 12 OK 75 78 100 97 2.4-3.0 3.0=83, 3.0/463=28...(44) HB ILE 15 - HE2 LYS 12 far 0 94 0 - 3.3-6.8 HG12 ILE 15 - HE2 LYS 12 far 0 66 0 - 4.5-8.3 HD3 LYS 33 - HE2 LYS 12 far 0 95 0 - 5.1-9.0 HG12 ILE 15 - HE3 LYS 33 far 0 75 0 - 5.6-8.5 HG12 ILE 15 - HE2 LYS 33 far 0 75 0 - 5.7-7.9 HD2 LYS 12 - HE2 LYS 33 far 0 87 0 - 5.8-9.6 HD2 LYS 12 - HE3 LYS 33 far 0 87 0 - 6.1-10.4 HD2 LYS 33 - HE2 LYS 12 far 0 95 0 - 6.1-10.1 HD3 LYS 12 - HE2 LYS 33 far 0 87 0 - 6.5-8.4 HD3 LYS 12 - HE3 LYS 33 far 0 87 0 - 6.6-9.3 HB ILE 15 - HE3 LYS 33 far 0 100 0 - 6.8-10.0 HB ILE 15 - HE2 LYS 33 far 0 100 0 - 7.0-8.7 HD2 LYS 13 - HE2 LYS 12 far 0 78 0 - 7.6-11.5 HG3 ARG 19 - HE2 LYS 12 far 0 57 0 - 7.7-11.8 HD3 LYS 13 - HE2 LYS 12 far 0 81 0 - 8.4-11.8 HG3 ARG 19 - HE3 LYS 33 far 0 65 0 - 9.2-11.5 HG3 ARG 19 - HE2 LYS 33 far 0 65 0 - 9.3-11.0 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; 5.66 A increased from 5.32 A): 2 out of 3 assignments used, quality = 0.96: * H LYS 33 + HE3 LYS 33 OK 85 100 85 100 4.9-6.2 6523/3.9=87, 6522/3.9=87...(17) H LYS 33 + HE2 LYS 33 OK 75 100 75 100 4.8-6.4 3.0/1421=91, 6523/3.9=87...(15) H LYS 33 - HE2 LYS 12 far 0 95 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 1502 from cnoeabs.peaks (4.53, 3.02, 41.80 ppm; 5.78 A increased from 4.86 A): 2 out of 3 assignments used, quality = 1.00: HA LYS 33 + HE2 LYS 33 OK 100 100 100 100 3.2-5.9 1421=100, 1419/3.0=96...(34) * HA LYS 33 + HE3 LYS 33 OK 100 100 100 100 4.3-6.0 1422/1.8=100...(35) HA LYS 33 - HE2 LYS 12 far 0 95 0 - 8.1-11.6 Violated in 0 structures by 0.00 A. Peak 1503 from cnoeabs.peaks (1.92, 3.02, 41.80 ppm; 4.68 A increased from 3.94 A): 4 out of 17 assignments used, quality = 1.00: HB3 LYS 33 + HE2 LYS 33 OK 100 100 100 100 2.6-4.6 4.8=94, 3.0/1422=72...(49) HB3 LYS 33 + HE3 LYS 33 OK 100 100 100 100 3.8-4.6 4.8=94, ~1422=50...(51) * HB2 LYS 33 + HE3 LYS 33 OK 85 100 85 100 4.1-5.1 4.8=94, ~1422=50...(51) HB2 LYS 33 + HE2 LYS 33 OK 75 100 75 100 4.0-5.1 4.8=94, 3.0/1421=72...(49) HB2 LYS 13 - HE2 LYS 12 far 0 94 0 - 6.1-9.9 HB VAL 32 - HE2 LYS 33 far 0 88 0 - 7.0-9.0 HB3 LYS 33 - HE2 LYS 12 far 0 94 0 - 7.2-10.9 HB VAL 32 - HE3 LYS 33 far 0 88 0 - 7.3-9.2 HB3 LEU 14 - HE2 LYS 12 far 0 88 0 - 7.4-10.2 HB3 LYS 13 - HE2 LYS 12 far 0 94 0 - 7.5-10.7 HB3 ARG 19 - HE2 LYS 12 far 0 91 0 - 8.0-11.8 HB2 LYS 33 - HE2 LYS 12 far 0 95 0 - 8.5-12.3 HB ILE 8 - HE2 LYS 33 far 0 90 0 - 8.5-11.5 HB2 ARG 19 - HE2 LYS 12 far 0 76 0 - 8.8-12.7 HB ILE 8 - HE3 LYS 33 far 0 90 0 - 9.2-11.8 HB3 LEU 14 - HE2 LYS 33 far 0 96 0 - 9.5-12.1 HB3 LEU 14 - HE3 LYS 33 far 0 96 0 - 9.5-13.1 Violated in 0 structures by 0.00 A. Peak 1504 from cnoeabs.peaks (1.92, 3.02, 41.80 ppm; 4.68 A increased from 3.94 A): 4 out of 17 assignments used, quality = 1.00: HB3 LYS 33 + HE2 LYS 33 OK 100 100 100 100 2.6-4.6 4.8=94, 3.0/1422=72...(49) * HB3 LYS 33 + HE3 LYS 33 OK 100 100 100 100 3.8-4.6 4.8=94, ~1422=50...(51) HB2 LYS 33 + HE3 LYS 33 OK 85 100 85 100 4.1-5.1 4.8=94, ~1422=50...(51) HB2 LYS 33 + HE2 LYS 33 OK 75 100 75 100 4.0-5.1 4.8=94, 3.0/1421=72...(49) HB2 LYS 13 - HE2 LYS 12 far 0 94 0 - 6.1-9.9 HB VAL 32 - HE2 LYS 33 far 0 85 0 - 7.0-9.0 HB3 LYS 33 - HE2 LYS 12 far 0 95 0 - 7.2-10.9 HB VAL 32 - HE3 LYS 33 far 0 85 0 - 7.3-9.2 HB3 LEU 14 - HE2 LYS 12 far 0 90 0 - 7.4-10.2 HB3 LYS 13 - HE2 LYS 12 far 0 94 0 - 7.5-10.7 HB3 ARG 19 - HE2 LYS 12 far 0 89 0 - 8.0-11.8 HB2 LYS 33 - HE2 LYS 12 far 0 94 0 - 8.5-12.3 HB ILE 8 - HE2 LYS 33 far 0 92 0 - 8.5-11.5 HB2 ARG 19 - HE2 LYS 12 far 0 79 0 - 8.8-12.7 HB ILE 8 - HE3 LYS 33 far 0 92 0 - 9.2-11.8 HB3 LEU 14 - HE2 LYS 33 far 0 98 0 - 9.5-12.1 HB3 LEU 14 - HE3 LYS 33 far 0 98 0 - 9.5-13.1 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 11 assignments used, quality = 1.00: HG2 LYS 33 + HE2 LYS 33 OK 99 100 100 99 2.5-3.8 3.9=71, 1483/3.0=51...(38) * HG2 LYS 33 + HE3 LYS 33 OK 99 100 100 99 2.3-3.7 3.9=71, 1483/3.0=51...(38) HG2 ARG 19 - HE2 LYS 12 far 0 55 0 - 6.4-11.5 HG2 LYS 33 - HE2 LYS 12 far 0 95 0 - 7.6-11.6 HB2 LEU 14 - HE2 LYS 12 far 0 75 0 - 8.7-11.6 HG2 ARG 19 - HE2 LYS 33 far 0 63 0 - 9.0-11.0 HG2 ARG 19 - HE3 LYS 33 far 0 63 0 - 9.1-11.3 HB ILE 7 - HE3 LYS 33 far 0 84 0 - 9.3-11.9 HB ILE 7 - HE2 LYS 12 far 0 75 0 - 9.3-13.5 HB ILE 7 - HE2 LYS 33 far 0 84 0 - 9.5-11.5 HG3 ARG 30 - HE3 LYS 33 far 0 94 0 - 9.5-12.2 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 + HE2 LYS 33 OK 99 100 100 99 2.2-3.7 3.9=78, 1418/1421=41...(28) * HG3 LYS 33 + HE3 LYS 33 OK 99 100 100 99 2.3-3.7 3.9=78, 1484/3.0=31...(28) HG3 LYS 13 - HE2 LYS 12 far 0 93 0 - 5.6-9.0 HG3 LYS 33 - HE2 LYS 12 far 0 95 0 - 6.7-10.5 HB2 LEU 14 - HE2 LYS 12 far 0 85 0 - 8.7-11.6 HD3 LYS 40 - HE3 LYS 33 far 0 59 0 - 8.7-12.4 HD3 LYS 40 - HE2 LYS 33 far 0 59 0 - 9.1-13.1 HB ILE 7 - HE3 LYS 33 far 0 94 0 - 9.3-11.9 HB ILE 7 - HE2 LYS 12 far 0 85 0 - 9.3-13.5 HB ILE 7 - HE2 LYS 33 far 0 94 0 - 9.5-11.5 HG3 ARG 30 - HE3 LYS 33 far 0 84 0 - 9.5-12.2 Violated in 0 structures by 0.00 A. Peak 1507 from cnoeabs.peaks (1.72, 3.02, 41.80 ppm; 2.80 A): 6 out of 23 assignments used, quality = 1.00: * HD2 LYS 33 + HE3 LYS 33 OK 94 100 100 94 2.3-3.0 3.0=86, 1483/3.9=22...(21) HD2 LYS 33 + HE2 LYS 33 OK 94 100 100 94 2.4-3.0 3.0=86, 1472/3.9=22...(21) HD3 LYS 33 + HE3 LYS 33 OK 94 100 100 94 2.4-3.0 3.0=86, 1473/3.9=13...(21) HD3 LYS 33 + HE2 LYS 33 OK 94 100 100 94 2.3-3.0 3.0=86, 1473/3.9=13...(21) HD3 LYS 12 + HE2 LYS 12 OK 75 78 100 97 2.3-3.0 3.0=83, 3.0/463=28...(44) HD2 LYS 12 + HE2 LYS 12 OK 75 78 100 97 2.4-3.0 3.0=83, 3.0/463=28...(44) HB ILE 15 - HE2 LYS 12 far 0 94 0 - 3.3-6.8 HG12 ILE 15 - HE2 LYS 12 far 0 66 0 - 4.5-8.3 HD3 LYS 33 - HE2 LYS 12 far 0 95 0 - 5.1-9.0 HG12 ILE 15 - HE3 LYS 33 far 0 75 0 - 5.6-8.5 HG12 ILE 15 - HE2 LYS 33 far 0 75 0 - 5.7-7.9 HD2 LYS 12 - HE2 LYS 33 far 0 87 0 - 5.8-9.6 HD2 LYS 12 - HE3 LYS 33 far 0 87 0 - 6.1-10.4 HD2 LYS 33 - HE2 LYS 12 far 0 95 0 - 6.1-10.1 HD3 LYS 12 - HE2 LYS 33 far 0 87 0 - 6.5-8.4 HD3 LYS 12 - HE3 LYS 33 far 0 87 0 - 6.6-9.3 HB ILE 15 - HE3 LYS 33 far 0 100 0 - 6.8-10.0 HB ILE 15 - HE2 LYS 33 far 0 100 0 - 7.0-8.7 HD2 LYS 13 - HE2 LYS 12 far 0 78 0 - 7.6-11.5 HG3 ARG 19 - HE2 LYS 12 far 0 57 0 - 7.7-11.8 HD3 LYS 13 - HE2 LYS 12 far 0 81 0 - 8.4-11.8 HG3 ARG 19 - HE3 LYS 33 far 0 65 0 - 9.2-11.5 HG3 ARG 19 - HE2 LYS 33 far 0 65 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 1508 from cnoeabs.peaks (1.72, 3.02, 41.80 ppm; 2.80 A): 6 out of 23 assignments used, quality = 1.00: HD2 LYS 33 + HE3 LYS 33 OK 94 100 100 94 2.3-3.0 3.0=86, 1483/3.9=22...(21) HD2 LYS 33 + HE2 LYS 33 OK 94 100 100 94 2.4-3.0 3.0=86, 1472/3.9=22...(21) * HD3 LYS 33 + HE3 LYS 33 OK 94 100 100 94 2.4-3.0 3.0=86, 1473/3.9=13...(21) HD3 LYS 33 + HE2 LYS 33 OK 94 100 100 94 2.3-3.0 3.0=86, 1473/3.9=13...(21) HD3 LYS 12 + HE2 LYS 12 OK 75 78 100 97 2.3-3.0 3.0=83, 3.0/463=28...(44) HD2 LYS 12 + HE2 LYS 12 OK 75 78 100 97 2.4-3.0 3.0=83, 3.0/463=28...(44) HB ILE 15 - HE2 LYS 12 far 0 94 0 - 3.3-6.8 HG12 ILE 15 - HE2 LYS 12 far 0 66 0 - 4.5-8.3 HD3 LYS 33 - HE2 LYS 12 far 0 95 0 - 5.1-9.0 HG12 ILE 15 - HE3 LYS 33 far 0 75 0 - 5.6-8.5 HG12 ILE 15 - HE2 LYS 33 far 0 75 0 - 5.7-7.9 HD2 LYS 12 - HE2 LYS 33 far 0 87 0 - 5.8-9.6 HD2 LYS 12 - HE3 LYS 33 far 0 87 0 - 6.1-10.4 HD2 LYS 33 - HE2 LYS 12 far 0 95 0 - 6.1-10.1 HD3 LYS 12 - HE2 LYS 33 far 0 87 0 - 6.5-8.4 HD3 LYS 12 - HE3 LYS 33 far 0 87 0 - 6.6-9.3 HB ILE 15 - HE3 LYS 33 far 0 100 0 - 6.8-10.0 HB ILE 15 - HE2 LYS 33 far 0 100 0 - 7.0-8.7 HD2 LYS 13 - HE2 LYS 12 far 0 78 0 - 7.6-11.5 HG3 ARG 19 - HE2 LYS 12 far 0 57 0 - 7.7-11.8 HD3 LYS 13 - HE2 LYS 12 far 0 81 0 - 8.4-11.8 HG3 ARG 19 - HE3 LYS 33 far 0 65 0 - 9.2-11.5 HG3 ARG 19 - HE2 LYS 33 far 0 65 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 1509 from cnoeabs.peaks (3.02, 3.02, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 33 + HE3 LYS 33 OK 100 100 - 100 HE2 LYS 33 + HE2 LYS 33 OK 100 100 - 100 HE2 LYS 12 + HE2 LYS 12 OK 90 90 - 100 Reference assignment not found: HE2 LYS 33 - HE3 LYS 33 Peak 1510 from cnoeabs.peaks (3.02, 3.02, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE3 LYS 33 + HE3 LYS 33 OK 100 100 - 100 HE2 LYS 33 + HE2 LYS 33 OK 100 100 - 100 HE2 LYS 12 + HE2 LYS 12 OK 90 90 - 100 Peak 1513 from cnoeabs.peaks (4.78, 4.78, 58.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 34 + HA THR 34 OK 100 100 - 100 Peak 1515 from cnoeabs.peaks (1.17, 4.78, 58.86 ppm; 4.57 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 34 + HA THR 34 OK 100 100 100 100 2.5-2.6 3.2=100 QG2 THR 31 - HA THR 34 far 0 70 0 - 9.6-9.9 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 2.3-2.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 1517 from cnoeabs.peaks (7.25, 4.59, 73.02 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * H THR 34 + HB THR 34 OK 100 100 100 100 3.8-4.0 4.0=100 Violated in 0 structures by 0.00 A. Peak 1518 from cnoeabs.peaks (4.78, 4.59, 73.02 ppm; 3.06 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 34 + HB THR 34 OK 100 100 100 100 2.3-2.4 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 2.2-2.6 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 2.5-2.7 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 - 7.2-7.9 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 3.8-4.0 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 2.8-2.8 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; 3.16 A increased from 2.97 A): 3 out of 20 assignments used, quality = 1.00: * HB2 GLU 35 + HA GLU 35 OK 100 100 100 100 3.0-3.0 3.0=100 QE MET 74 + HA GLU 43 OK 56 97 65 88 2.8-3.9 12303/2.9=44, 9610=36...(10) HB2 ARG 46 + HA GLU 43 OK 30 67 55 80 2.6-4.3 1.8/2076=28...(8) HB3 LYS 94 - HA ARG 91 far 5 95 5 - 2.8-4.4 QE MET 74 - HA LYS 40 far 0 61 0 - 4.1-5.0 HB2 GLU 37 - HA GLU 35 far 0 77 0 - 4.9-5.4 HB2 GLU 44 - HA GLU 43 far 0 97 0 - 5.7-5.8 HB3 GLU 44 - HA GLU 43 far 0 97 0 - 5.9-6.0 HB2 GLU 44 - HA LYS 40 far 0 60 0 - 6.3-6.9 HB3 GLU 44 - HA LYS 40 far 0 60 0 - 6.4-7.0 QE MET 74 - HA GLU 35 far 0 100 0 - 7.4-8.4 HB2 LYS 47 - HA GLU 43 far 0 55 0 - 7.5-8.2 HB2 GLU 37 - HA LYS 40 far 0 40 0 - 7.5-7.7 HG12 ILE 93 - HA ARG 91 far 0 76 0 - 7.8-8.3 HB2 ARG 46 - HA LYS 40 far 0 37 0 - 8.1-9.9 HB2 GLU 98 - HA ARG 91 far 0 62 0 - 8.2-9.2 HB2 GLU 62 - HA GLU 35 far 0 99 0 - 8.5-9.8 HB2 GLU 35 - HA LYS 40 far 0 62 0 - 9.5-10.2 HB3 GLU 17 - HA ARG 91 far 0 100 0 - 9.6-10.5 HB3 GLU 98 - HA ARG 91 far 0 64 0 - 9.7-10.8 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 17 assignments used, quality = 1.00: * HB3 GLU 35 + HA GLU 35 OK 100 100 100 100 2.4-2.6 3.0=95, 6551/3.0=38...(20) HB3 GLU 43 + HA GLU 43 OK 92 92 100 100 3.0-3.0 3.0=95, 6694/2.9=42...(26) HB3 LEU 38 + HA GLU 35 OK 64 99 90 72 2.6-3.5 6587/12057=31...(7) HB3 GLU 43 - HA LYS 40 far 5 55 10 - 2.9-3.9 QE MET 21 - HA ARG 91 far 0 93 0 - 4.4-5.3 HB2 MET 74 - HA GLU 43 far 0 90 0 - 4.9-5.8 HG3 GLU 37 - HA GLU 35 far 0 79 0 - 5.7-7.4 HB2 MET 21 - HA ARG 91 far 0 76 0 - 7.0-7.8 HB3 GLU 88 - HA ARG 91 far 0 99 0 - 7.2-7.6 HB3 LEU 38 - HA LYS 40 far 0 60 0 - 7.3-8.2 HG3 GLU 37 - HA LYS 40 far 0 42 0 - 7.5-8.5 HB2 GLU 98 - HA ARG 91 far 0 64 0 - 8.2-9.2 HB2 MET 74 - HA LYS 40 far 0 53 0 - 8.6-9.5 HB3 GLU 48 - HA GLU 43 far 0 67 0 - 9.0-9.8 HB3 PRO 86 - HA ARG 91 far 0 85 0 - 9.4-9.8 HB VAL 83 - HA ARG 91 far 0 72 0 - 9.5-10.1 HB3 GLU 98 - HA ARG 91 far 0 62 0 - 9.7-10.8 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 14 assignments used, quality = 1.00: HG2 GLU 43 + HA GLU 43 OK 91 97 95 99 2.3-3.6 3.7=64, 1554/2.9=42...(21) * HG2 GLU 35 + HA GLU 35 OK 88 100 90 98 2.6-3.6 4.1=47, 6561/3.6=22...(26) HG3 GLU 35 + HA GLU 35 OK 62 100 65 95 2.3-3.6 4.1=47, 1545/3.0=25...(24) HG2 GLU 43 - HA LYS 40 poor 18 60 30 - 2.0-4.2 HB2 GLU 95 - HA ARG 91 far 0 99 0 - 4.2-6.6 HB3 GLU 95 - HA ARG 91 far 0 60 0 - 4.3-7.0 HB2 GLU 63 - HA GLU 35 far 0 100 0 - 7.3-8.5 HG2 GLU 35 - HA LYS 40 far 0 62 0 - 8.2-10.4 HG3 GLU 35 - HA LYS 40 far 0 62 0 - 8.4-10.3 HB3 GLU 75 - HA GLU 43 far 0 97 0 - 8.8-9.9 HG2 GLU 98 - HA ARG 91 far 0 92 0 - 9.3-10.6 HG2 GLU 99 - HA ARG 91 far 0 84 0 - 9.5-11.8 HG3 GLU 75 - HA GLU 43 far 0 85 0 - 9.7-12.0 HG2 GLU 75 - HA GLU 43 far 0 82 0 - 9.9-12.0 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 14 assignments used, quality = 1.00: HG2 GLU 43 + HA GLU 43 OK 91 97 95 99 2.3-3.6 3.7=64, 1554/2.9=42...(21) HG2 GLU 35 + HA GLU 35 OK 88 100 90 98 2.6-3.6 4.1=47, 6561/3.6=22...(26) * HG3 GLU 35 + HA GLU 35 OK 62 100 65 95 2.3-3.6 4.1=47, 1545/3.0=25...(24) HG2 GLU 43 - HA LYS 40 poor 18 60 30 - 2.0-4.2 HB2 GLU 95 - HA ARG 91 far 0 99 0 - 4.2-6.6 HB3 GLU 95 - HA ARG 91 far 0 60 0 - 4.3-7.0 HB2 GLU 63 - HA GLU 35 far 0 100 0 - 7.3-8.5 HG2 GLU 35 - HA LYS 40 far 0 62 0 - 8.2-10.4 HG3 GLU 35 - HA LYS 40 far 0 62 0 - 8.4-10.3 HB3 GLU 75 - HA GLU 43 far 0 97 0 - 8.8-9.9 HG2 GLU 98 - HA ARG 91 far 0 92 0 - 9.3-10.6 HG2 GLU 99 - HA ARG 91 far 0 84 0 - 9.5-11.8 HG3 GLU 75 - HA GLU 43 far 0 85 0 - 9.7-12.0 HG2 GLU 75 - HA GLU 43 far 0 82 0 - 9.9-12.0 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 3.5-3.5 3.6=97, 6558/3.0=55...(15) H GLU 43 + HA GLU 43 OK 97 97 100 100 2.8-2.8 2.9=100 H GLU 43 + HA LYS 40 OK 52 60 100 87 3.5-3.7 6692=42, 6683/3.6=32...(10) H PHE 96 - HA ARG 91 far 0 81 0 - 6.0-6.6 H SER 97 - HA ARG 91 far 0 74 0 - 7.5-8.2 H ASP 36 - HA LYS 40 far 0 62 0 - 8.1-8.5 H LYS 68 - HA GLU 35 far 0 100 0 - 8.7-9.5 H GLU 43 - HA GLU 35 far 0 99 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 1534 from cnoeabs.peaks (9.17, 2.01, 29.38 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 35 + HB2 GLU 35 OK 100 100 100 100 2.4-2.8 6550=100, 6551/1.8=83...(16) 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 3.0-3.0 3.0=100 HB2 SER 102 - HB3 GLU 99 far 6 56 10 - 3.1-11.7 HA3 GLY 101 - HB3 GLU 99 far 0 56 0 - 3.8-7.4 HA2 GLY 101 - HB3 GLU 99 far 0 47 0 - 4.0-7.6 HA2 GLY 100 - HB3 GLU 99 far 0 47 0 - 4.1-6.1 HA ALA 89 - HB3 GLU 17 far 0 59 0 - 7.1-7.5 HA GLU 63 - HB2 GLU 35 far 0 82 0 - 7.3-8.8 HA LYS 12 - HB3 GLU 17 far 0 40 0 - 7.7-8.5 HA LEU 38 - HB2 GLU 35 far 0 98 0 - 7.7-8.2 HA ALA 67 - HB2 GLU 35 far 0 71 0 - 7.8-8.6 HB3 SER 9 - HB3 GLU 17 far 0 31 0 - 8.0-8.8 HA LYS 94 - HB3 GLU 99 far 0 47 0 - 8.4-10.1 HB2 SER 85 - HB3 GLU 17 far 0 57 0 - 8.5-9.4 HA LYS 40 - HB2 GLU 35 far 0 90 0 - 9.5-10.2 HA ARG 91 - HB3 GLU 17 far 0 64 0 - 9.6-10.5 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 15 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 9 31 30 - 2.4-3.3 HB3 PRO 86 - HB3 GLU 17 far 5 49 10 - 2.7-3.2 HB2 GLU 98 - HB3 GLU 99 far 0 31 0 - 4.0-6.2 HB3 GLU 98 - HB3 GLU 99 far 0 29 0 - 4.1-6.9 HB2 GLU 16 - HB3 GLU 17 far 0 64 0 - 4.5-5.2 HB2 MET 21 - HB3 GLU 17 far 0 42 0 - 5.5-6.2 HB3 LEU 38 - HB2 GLU 35 far 0 99 0 - 5.6-6.1 HG3 GLU 37 - HB2 GLU 35 far 0 79 0 - 6.6-8.8 HG3 GLU 104 - HB3 GLU 99 far 0 50 0 - 7.3-17.0 QE MET 21 - HB3 GLU 17 far 0 56 0 - 7.5-8.4 HB VAL 83 - HB3 GLU 17 far 0 40 0 - 8.4-8.9 HB3 GLU 88 - HB3 GLU 17 far 0 64 0 - 9.1-10.0 QE MET 21 - HB3 GLU 99 far 0 49 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 1538 from cnoeabs.peaks (2.20, 2.01, 29.38 ppm; 3.10 A increased from 2.61 A): 3 out of 10 assignments used, quality = 1.00: * HG2 GLU 35 + HB2 GLU 35 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 GLU 35 + HB2 GLU 35 OK 100 100 100 100 2.5-3.0 2.9=100 HG2 GLU 99 + HB3 GLU 99 OK 43 43 100 100 2.5-3.0 3.0=100 HB3 GLU 95 - HB3 GLU 99 far 0 28 0 - 4.1-8.2 HG3 PRO 86 - HB3 GLU 17 far 0 64 0 - 4.4-5.4 HB3 GLU 16 - HB3 GLU 17 far 0 41 0 - 5.3-6.0 HB2 GLU 95 - HB3 GLU 99 far 0 56 0 - 5.7-8.2 HG2 GLU 98 - HB3 GLU 99 far 0 48 0 - 6.8-8.4 HG2 MET 1 - HB3 GLU 99 far 0 57 0 - 8.2-11.7 HB2 GLU 63 - HB2 GLU 35 far 0 100 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 1539 from cnoeabs.peaks (2.20, 2.01, 29.38 ppm; 3.10 A increased from 2.61 A): 3 out of 10 assignments used, quality = 1.00: HG2 GLU 35 + HB2 GLU 35 OK 100 100 100 100 2.3-3.0 2.9=100 * HG3 GLU 35 + HB2 GLU 35 OK 100 100 100 100 2.5-3.0 2.9=100 HG2 GLU 99 + HB3 GLU 99 OK 43 43 100 100 2.5-3.0 3.0=100 HB3 GLU 95 - HB3 GLU 99 far 0 28 0 - 4.1-8.2 HG3 PRO 86 - HB3 GLU 17 far 0 64 0 - 4.4-5.4 HB3 GLU 16 - HB3 GLU 17 far 0 41 0 - 5.3-6.0 HB2 GLU 95 - HB3 GLU 99 far 0 56 0 - 5.7-8.2 HG2 GLU 98 - HB3 GLU 99 far 0 48 0 - 6.8-8.4 HG2 MET 1 - HB3 GLU 99 far 0 57 0 - 8.2-11.7 HB2 GLU 63 - HB2 GLU 35 far 0 100 0 - 9.1-10.4 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 2.7-2.8 6558=100, 6556/6550=58...(10) H PHE 96 - HB3 GLU 99 far 0 41 0 - 5.7-7.3 H GLU 104 - HB3 GLU 99 far 0 36 0 - 5.8-13.9 H SER 97 - HB3 GLU 99 far 0 36 0 - 5.9-7.1 H HIS 106 - HB3 GLU 99 far 0 36 0 - 8.0-16.2 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 2.3-2.7 6551=100, 6550/1.8=85...(13) Violated in 0 structures by 0.00 A. Peak 1542 from cnoeabs.peaks (3.89, 2.08, 29.38 ppm; 3.28 A): 2 out of 9 assignments used, quality = 1.00: * HA GLU 35 + HB3 GLU 35 OK 100 100 100 100 2.4-2.6 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 poor 19 71 70 39 2.9-3.9 6692/6694=19...(6) HA LYS 12 - HB2 GLU 16 far 0 63 0 - 5.0-6.5 HA GLU 63 - HB3 GLU 35 far 0 82 0 - 5.7-7.2 HA ALA 67 - HB3 GLU 35 far 0 71 0 - 6.4-7.3 HA LEU 38 - HB3 GLU 35 far 0 98 0 - 7.4-8.0 HA LEU 38 - HB3 GLU 43 far 0 80 0 - 8.3-9.0 HB3 SER 9 - HB2 GLU 16 far 0 50 0 - 8.5-10.5 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 10 assignments used, quality = 1.00: * HB2 GLU 35 + HB3 GLU 35 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 44 - HB3 GLU 43 far 0 84 0 - 4.1-4.5 QE MET 74 - HB3 GLU 43 far 0 84 0 - 4.2-5.2 HB3 GLU 17 - HB2 GLU 16 far 0 93 0 - 4.5-5.2 HB2 GLU 44 - HB3 GLU 43 far 0 84 0 - 4.5-4.9 HB2 ARG 46 - HB3 GLU 43 far 0 54 0 - 5.3-7.1 HB2 GLU 37 - HB3 GLU 35 far 0 77 0 - 6.9-7.4 HB2 GLU 62 - HB3 GLU 35 far 0 99 0 - 7.2-8.8 QE MET 74 - HB3 GLU 35 far 0 100 0 - 8.3-9.6 HB2 LYS 47 - HB3 GLU 43 far 0 44 0 - 8.3-9.3 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 6 assignments used, quality = 0.94: HG3 GLU 35 + HB3 GLU 35 OK 72 100 90 80 2.2-3.0 2.9=54, 1.8/1558=17...(16) HB3 GLU 16 + HB2 GLU 16 OK 65 65 100 100 1.8-1.8 1.8=100 HG2 GLU 43 + HB3 GLU 43 OK 23 83 35 78 2.2-3.0 3.0=51, 1561/6694=20...(12) * HG2 GLU 35 + HB3 GLU 35 OK 20 100 25 81 2.2-3.0 2.9=54, 1.8/1558=17...(17) HG3 PRO 86 - HB2 GLU 16 far 0 93 0 - 7.1-9.2 HB2 GLU 63 - HB3 GLU 35 far 0 100 0 - 7.5-8.9 Violated in 0 structures by 0.00 A. Peak 1546 from cnoeabs.peaks (2.20, 2.08, 29.38 ppm; 2.40 A): 4 out of 6 assignments used, quality = 0.94: * HG3 GLU 35 + HB3 GLU 35 OK 72 100 90 80 2.2-3.0 2.9=54, 1.8/1558=17...(16) HB3 GLU 16 + HB2 GLU 16 OK 65 65 100 100 1.8-1.8 1.8=100 HG2 GLU 43 + HB3 GLU 43 OK 23 83 35 78 2.2-3.0 3.0=51, 1561/6694=20...(12) HG2 GLU 35 + HB3 GLU 35 OK 20 100 25 81 2.2-3.0 2.9=54, 1.8/1558=17...(17) HG3 PRO 86 - HB2 GLU 16 far 0 93 0 - 7.1-9.2 HB2 GLU 63 - HB3 GLU 35 far 0 100 0 - 7.5-8.9 Violated in 0 structures by 0.00 A. Peak 1547 from cnoeabs.peaks (8.19, 2.08, 29.38 ppm; 3.52 A): 1 out of 3 assignments used, quality = 0.83: H GLU 43 + HB3 GLU 43 OK 83 83 100 100 2.3-2.7 6694=93, 1962/1.8=69...(14) ! H ASP 36 - HB3 GLU 35 far 5 100 5 - 3.8-4.1 H LYS 68 - HB3 GLU 35 far 0 100 0 - 9.0-10.0 Violated in 0 structures by 0.00 A. Peak 1548 from cnoeabs.peaks (9.17, 2.20, 36.41 ppm; 4.63 A increased from 4.12 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 35 + HG2 GLU 35 OK 100 100 100 100 4.3-4.6 4.9=84, 6551/2.9=84...(17) H GLU 35 + HG3 GLU 35 OK 100 100 100 100 4.3-4.6 4.9=84, 6551/2.9=84...(17) Violated in 0 structures by 0.00 A. Peak 1549 from cnoeabs.peaks (3.89, 2.20, 36.41 ppm; 3.16 A): 3 out of 17 assignments used, quality = 1.00: HA GLU 43 + HG2 GLU 43 OK 91 96 95 99 2.3-3.6 3.7=64, 2.9/1554=42...(21) * HA GLU 35 + HG2 GLU 35 OK 88 100 90 98 2.6-3.6 4.1=47, 3.6/6561=22...(26) HA GLU 35 + HG3 GLU 35 OK 62 100 65 95 2.3-3.6 4.1=47, 1532/1.8=25...(24) HA LYS 40 - HG2 GLU 43 poor 12 83 30 50 2.0-4.2 1985/1.8=17...(8) HA ALA 67 - HG3 GLU 35 far 0 71 0 - 5.1-7.1 HA ALA 67 - HG2 GLU 35 far 0 71 0 - 5.4-7.7 HA GLU 63 - HG3 GLU 35 far 0 82 0 - 6.1-8.6 HA LEU 38 - HG2 GLU 35 far 0 98 0 - 6.3-8.2 HA LEU 38 - HG3 GLU 35 far 0 98 0 - 6.3-8.3 HA GLU 63 - HG2 GLU 35 far 0 82 0 - 6.6-9.4 HA LEU 38 - HG2 GLU 43 far 0 92 0 - 7.7-9.0 HA LYS 40 - HG2 GLU 35 far 0 90 0 - 8.2-10.4 HB3 SER 49 - HG3 GLU 75 far 0 34 0 - 8.2-9.6 HA LYS 40 - HG3 GLU 35 far 0 90 0 - 8.4-10.3 HB3 SER 49 - HG2 GLU 75 far 0 32 0 - 8.5-10.1 HA GLU 43 - HG3 GLU 75 far 0 53 0 - 9.7-12.0 HA GLU 43 - HG2 GLU 75 far 0 49 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 1550 from cnoeabs.peaks (2.01, 2.20, 36.41 ppm; 3.00 A increased from 2.66 A): 3 out of 18 assignments used, quality = 1.00: * HB2 GLU 35 + HG2 GLU 35 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 GLU 35 + HG3 GLU 35 OK 100 100 100 100 2.5-3.0 2.9=100 QE MET 74 + HG2 GLU 43 OK 69 96 85 85 2.0-4.0 10280/1.8=39...(11) HB2 ARG 46 - HG2 GLU 43 far 0 65 0 - 5.0-7.9 QE MET 74 - HG2 GLU 35 far 0 100 0 - 6.1-7.6 HB2 GLU 44 - HG2 GLU 43 far 0 96 0 - 6.2-7.2 HB3 GLU 44 - HG2 GLU 43 far 0 96 0 - 6.2-7.1 QE MET 74 - HG3 GLU 35 far 0 100 0 - 6.5-8.1 HB2 GLU 37 - HG2 GLU 35 far 0 77 0 - 6.9-8.5 QE MET 74 - HG2 GLU 75 far 0 48 0 - 6.9-8.6 HB2 GLU 37 - HG3 GLU 35 far 0 77 0 - 7.1-8.5 QE MET 74 - HG3 GLU 75 far 0 52 0 - 7.1-9.1 HB2 ARG 46 - HG3 GLU 75 far 0 31 0 - 7.5-9.5 HB2 GLU 62 - HG3 GLU 35 far 0 99 0 - 8.0-10.5 HB2 ARG 46 - HG2 GLU 75 far 0 29 0 - 8.2-9.8 HB2 GLU 62 - HG2 GLU 35 far 0 99 0 - 8.8-11.5 HB2 GLU 37 - HG2 GLU 43 far 0 71 0 - 9.5-11.2 HB2 LYS 47 - HG2 GLU 43 far 0 54 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 1551 from cnoeabs.peaks (2.08, 2.20, 36.41 ppm; 2.76 A increased from 2.45 A): 3 out of 13 assignments used, quality = 1.00: * HB3 GLU 35 + HG2 GLU 35 OK 96 100 100 96 2.2-3.0 2.9=83, 1545/1.8=30...(21) HB3 GLU 35 + HG3 GLU 35 OK 95 100 100 95 2.2-3.0 2.9=83, 6551/4.9=16...(20) HB3 GLU 43 + HG2 GLU 43 OK 85 90 100 94 2.2-3.0 3.0=78, 700/1.8=28...(14) HB3 LEU 38 - HG2 GLU 35 far 0 99 0 - 3.9-6.1 HB3 LEU 38 - HG3 GLU 35 far 0 99 0 - 4.2-6.0 HB2 MET 74 - HG3 GLU 75 far 0 46 0 - 5.0-7.1 HB2 MET 74 - HG2 GLU 75 far 0 42 0 - 5.0-7.3 HB2 MET 74 - HG2 GLU 43 far 0 88 0 - 5.6-7.7 HG3 GLU 37 - HG2 GLU 35 far 0 79 0 - 7.3-9.3 HG3 GLU 37 - HG3 GLU 35 far 0 79 0 - 7.6-10.6 HB3 LEU 38 - HG2 GLU 43 far 0 95 0 - 8.2-10.4 HB3 GLU 62 - HG3 GLU 35 far 0 99 0 - 9.6-12.0 HB2 MET 74 - HG2 GLU 35 far 0 94 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 1552 from cnoeabs.peaks (2.20, 2.20, 36.41 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG3 GLU 35 + HG3 GLU 35 OK 100 100 - 100 * HG2 GLU 35 + HG2 GLU 35 OK 100 100 - 100 HG2 GLU 43 + HG2 GLU 43 OK 95 95 - 100 HG3 GLU 75 + HG3 GLU 75 OK 42 42 - 100 HG2 GLU 75 + HG2 GLU 75 OK 37 37 - 100 Peak 1553 from cnoeabs.peaks (2.20, 2.20, 36.41 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG3 GLU 35 + HG3 GLU 35 OK 100 100 - 100 HG2 GLU 35 + HG2 GLU 35 OK 100 100 - 100 HG2 GLU 43 + HG2 GLU 43 OK 95 95 - 100 HG3 GLU 75 + HG3 GLU 75 OK 42 42 - 100 HG2 GLU 75 + HG2 GLU 75 OK 37 37 - 100 Reference assignment not found: HG3 GLU 35 - HG2 GLU 35 Peak 1554 from cnoeabs.peaks (8.19, 2.20, 36.41 ppm; 3.66 A): 1 out of 8 assignments used, quality = 0.95: H GLU 43 + HG2 GLU 43 OK 95 95 100 100 2.1-2.9 6695=87, 6696/1.8=75...(15) ! H ASP 36 - HG2 GLU 35 far 15 100 15 - 3.6-5.0 H ASP 36 - HG3 GLU 35 far 5 100 5 - 3.9-5.1 H LYS 68 - HG3 GLU 35 far 0 100 0 - 7.7-9.7 H LYS 68 - HG2 GLU 35 far 0 100 0 - 8.1-10.6 H GLU 43 - HG2 GLU 35 far 0 99 0 - 9.2-11.6 H GLU 43 - HG3 GLU 35 far 0 99 0 - 9.7-11.6 H ASP 36 - HG2 GLU 43 far 0 97 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 1555 from cnoeabs.peaks (9.17, 2.20, 36.41 ppm; 4.63 A increased from 4.12 A): 2 out of 2 assignments used, quality = 1.00: H GLU 35 + HG2 GLU 35 OK 100 100 100 100 4.3-4.6 4.9=84, 6551/2.9=84...(17) * H GLU 35 + HG3 GLU 35 OK 100 100 100 100 4.3-4.6 4.9=84, 6551/2.9=84...(17) Violated in 0 structures by 0.00 A. Peak 1556 from cnoeabs.peaks (3.89, 2.20, 36.41 ppm; 3.16 A): 3 out of 17 assignments used, quality = 1.00: HA GLU 43 + HG2 GLU 43 OK 91 96 95 99 2.3-3.6 3.7=64, 2.9/1554=42...(21) HA GLU 35 + HG2 GLU 35 OK 88 100 90 98 2.6-3.6 4.1=47, 3.6/6561=22...(26) * HA GLU 35 + HG3 GLU 35 OK 62 100 65 95 2.3-3.6 4.1=47, 1532/1.8=25...(24) HA LYS 40 - HG2 GLU 43 poor 12 83 30 50 2.0-4.2 1985/1.8=17...(8) HA ALA 67 - HG3 GLU 35 far 0 71 0 - 5.1-7.1 HA ALA 67 - HG2 GLU 35 far 0 71 0 - 5.4-7.7 HA GLU 63 - HG3 GLU 35 far 0 82 0 - 6.1-8.6 HA LEU 38 - HG2 GLU 35 far 0 98 0 - 6.3-8.2 HA LEU 38 - HG3 GLU 35 far 0 98 0 - 6.3-8.3 HA GLU 63 - HG2 GLU 35 far 0 82 0 - 6.6-9.4 HA LEU 38 - HG2 GLU 43 far 0 92 0 - 7.7-9.0 HA LYS 40 - HG2 GLU 35 far 0 90 0 - 8.2-10.4 HB3 SER 49 - HG3 GLU 75 far 0 34 0 - 8.2-9.6 HA LYS 40 - HG3 GLU 35 far 0 90 0 - 8.4-10.3 HB3 SER 49 - HG2 GLU 75 far 0 32 0 - 8.5-10.1 HA GLU 43 - HG3 GLU 75 far 0 53 0 - 9.7-12.0 HA GLU 43 - HG2 GLU 75 far 0 49 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 1557 from cnoeabs.peaks (2.01, 2.20, 36.41 ppm; 3.00 A increased from 2.66 A): 3 out of 18 assignments used, quality = 1.00: HB2 GLU 35 + HG2 GLU 35 OK 100 100 100 100 2.3-3.0 2.9=100 * HB2 GLU 35 + HG3 GLU 35 OK 100 100 100 100 2.5-3.0 2.9=100 QE MET 74 + HG2 GLU 43 OK 69 96 85 85 2.0-4.0 10280/1.8=39...(11) HB2 ARG 46 - HG2 GLU 43 far 0 65 0 - 5.0-7.9 QE MET 74 - HG2 GLU 35 far 0 100 0 - 6.1-7.6 HB2 GLU 44 - HG2 GLU 43 far 0 96 0 - 6.2-7.2 HB3 GLU 44 - HG2 GLU 43 far 0 96 0 - 6.2-7.1 QE MET 74 - HG3 GLU 35 far 0 100 0 - 6.5-8.1 HB2 GLU 37 - HG2 GLU 35 far 0 77 0 - 6.9-8.5 QE MET 74 - HG2 GLU 75 far 0 48 0 - 6.9-8.6 HB2 GLU 37 - HG3 GLU 35 far 0 77 0 - 7.1-8.5 QE MET 74 - HG3 GLU 75 far 0 52 0 - 7.1-9.1 HB2 ARG 46 - HG3 GLU 75 far 0 31 0 - 7.5-9.5 HB2 GLU 62 - HG3 GLU 35 far 0 99 0 - 8.0-10.5 HB2 ARG 46 - HG2 GLU 75 far 0 29 0 - 8.2-9.8 HB2 GLU 62 - HG2 GLU 35 far 0 99 0 - 8.8-11.5 HB2 GLU 37 - HG2 GLU 43 far 0 71 0 - 9.5-11.2 HB2 LYS 47 - HG2 GLU 43 far 0 54 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 1558 from cnoeabs.peaks (2.08, 2.20, 36.41 ppm; 2.76 A increased from 2.45 A): 3 out of 13 assignments used, quality = 1.00: HB3 GLU 35 + HG2 GLU 35 OK 96 100 100 96 2.2-3.0 2.9=83, 1545/1.8=30...(21) * HB3 GLU 35 + HG3 GLU 35 OK 95 100 100 95 2.2-3.0 2.9=83, 6551/4.9=16...(20) HB3 GLU 43 + HG2 GLU 43 OK 85 90 100 94 2.2-3.0 3.0=78, 700/1.8=28...(14) HB3 LEU 38 - HG2 GLU 35 far 0 99 0 - 3.9-6.1 HB3 LEU 38 - HG3 GLU 35 far 0 99 0 - 4.2-6.0 HB2 MET 74 - HG3 GLU 75 far 0 46 0 - 5.0-7.1 HB2 MET 74 - HG2 GLU 75 far 0 42 0 - 5.0-7.3 HB2 MET 74 - HG2 GLU 43 far 0 88 0 - 5.6-7.7 HG3 GLU 37 - HG2 GLU 35 far 0 79 0 - 7.3-9.3 HG3 GLU 37 - HG3 GLU 35 far 0 79 0 - 7.6-10.6 HB3 LEU 38 - HG2 GLU 43 far 0 95 0 - 8.2-10.4 HB3 GLU 62 - HG3 GLU 35 far 0 99 0 - 9.6-12.0 HB2 MET 74 - HG2 GLU 35 far 0 94 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 1559 from cnoeabs.peaks (2.20, 2.20, 36.41 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG3 GLU 35 + HG3 GLU 35 OK 100 100 - 100 HG2 GLU 35 + HG2 GLU 35 OK 100 100 - 100 HG2 GLU 43 + HG2 GLU 43 OK 95 95 - 100 HG3 GLU 75 + HG3 GLU 75 OK 42 42 - 100 HG2 GLU 75 + HG2 GLU 75 OK 37 37 - 100 Reference assignment not found: HG2 GLU 35 - HG3 GLU 35 Peak 1560 from cnoeabs.peaks (2.20, 2.20, 36.41 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 GLU 35 + HG3 GLU 35 OK 100 100 - 100 HG2 GLU 35 + HG2 GLU 35 OK 100 100 - 100 HG2 GLU 43 + HG2 GLU 43 OK 95 95 - 100 HG3 GLU 75 + HG3 GLU 75 OK 42 42 - 100 HG2 GLU 75 + HG2 GLU 75 OK 37 37 - 100 Peak 1561 from cnoeabs.peaks (8.19, 2.20, 36.41 ppm; 3.66 A): 1 out of 8 assignments used, quality = 0.95: H GLU 43 + HG2 GLU 43 OK 95 95 100 100 2.1-2.9 6695=87, 6696/1.8=75...(15) H ASP 36 - HG2 GLU 35 far 15 100 15 - 3.6-5.0 ! H ASP 36 - HG3 GLU 35 far 5 100 5 - 3.9-5.1 H LYS 68 - HG3 GLU 35 far 0 100 0 - 7.7-9.7 H LYS 68 - HG2 GLU 35 far 0 100 0 - 8.1-10.6 H GLU 43 - HG2 GLU 35 far 0 99 0 - 9.2-11.6 H GLU 43 - HG3 GLU 35 far 0 99 0 - 9.7-11.6 H ASP 36 - HG2 GLU 43 far 0 97 0 - 9.8-11.3 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 2.8-2.8 3.0=100 H LYS 68 + HA ASP 65 OK 35 48 75 97 3.6-3.8 7100=54, 7101/3.6=32...(17) H GLU 43 - HA ASP 36 far 0 99 0 - 8.4-9.0 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 2.4-3.0 3.0=100 HB3 ASP 36 + HA ASP 36 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ASP 61 - HA ASP 65 far 0 48 0 - 6.4-6.9 HG3 GLN 72 - HA ASP 65 far 0 29 0 - 7.3-7.9 HG3 GLU 63 - HA ASP 65 far 0 46 0 - 9.1-9.4 HG2 MET 74 - HA ASP 36 far 0 90 0 - 9.4-10.7 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 2.4-3.0 3.0=100 HB2 ASP 36 + HA ASP 36 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ASP 61 - HA ASP 65 far 0 48 0 - 6.4-6.9 HG3 GLN 72 - HA ASP 65 far 0 30 0 - 7.3-7.9 HG3 GLU 63 - HA ASP 65 far 0 46 0 - 9.1-9.4 HG2 MET 74 - HA ASP 36 far 0 91 0 - 9.4-10.7 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 3.5-3.6 3.6=100 H LEU 64 - HA ASP 65 far 0 36 0 - 5.1-5.2 H ASN 60 - HA ASP 65 far 0 45 0 - 9.2-9.6 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 5 assignments used, quality = 0.91: * H ASP 36 + HB2 ASP 36 OK 72 100 80 91 2.2-3.6 3.6=61, 6564/1.8=36...(10) H ASP 36 + HB3 ASP 36 OK 67 100 75 90 2.2-3.6 3.6=61, 6563/1.8=38...(10) H GLU 43 - HB3 ASP 36 far 0 99 0 - 9.3-10.9 H LYS 68 - HB2 ASP 61 far 0 94 0 - 9.4-9.8 H GLU 43 - HB2 ASP 36 far 0 99 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 1568 from cnoeabs.peaks (4.29, 2.50, 40.21 ppm; 3.14 A increased from 2.95 A): 2 out of 3 assignments used, quality = 1.00: * HA ASP 36 + HB2 ASP 36 OK 100 100 100 100 2.4-3.0 3.0=100 HA ASP 36 + HB3 ASP 36 OK 100 100 100 100 2.4-3.0 3.0=100 HA ASP 65 - HB2 ASP 61 far 0 77 0 - 6.4-6.9 Violated in 0 structures by 0.00 A. Peak 1569 from cnoeabs.peaks (2.50, 2.50, 40.21 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 ASP 36 + HB2 ASP 36 OK 100 100 - 100 HB3 ASP 36 + HB3 ASP 36 OK 100 100 - 100 HB2 ASP 87 + HB2 ASP 87 OK 94 94 - 100 HB3 ASP 87 + HB3 ASP 87 OK 94 94 - 100 HB2 ASP 61 + HB2 ASP 61 OK 94 94 - 100 Peak 1570 from cnoeabs.peaks (2.51, 2.50, 40.21 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB2 ASP 36 + HB2 ASP 36 OK 100 100 - 100 HB3 ASP 36 + HB3 ASP 36 OK 100 100 - 100 HB2 ASP 87 + HB2 ASP 87 OK 94 94 - 100 HB3 ASP 87 + HB3 ASP 87 OK 94 94 - 100 HB2 ASP 61 + HB2 ASP 61 OK 94 94 - 100 Reference assignment not found: HB3 ASP 36 - HB2 ASP 36 Peak 1571 from cnoeabs.peaks (7.74, 2.50, 40.21 ppm; 3.47 A): 2 out of 4 assignments used, quality = 0.98: H GLU 37 + HB3 ASP 36 OK 92 100 95 96 2.4-3.8 6570=75, 6565/3.6=49...(13) * H GLU 37 + HB2 ASP 36 OK 73 100 75 97 2.5-3.9 4.0=63, 6570/1.8=58...(12) H LEU 64 - HB2 ASP 61 far 0 77 0 - 5.2-5.3 H ASN 60 - HB2 ASP 61 far 0 91 0 - 7.0-7.3 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 5 assignments used, quality = 0.91: H ASP 36 + HB2 ASP 36 OK 72 100 80 90 2.2-3.6 3.6=61, 6564/1.8=36...(10) * H ASP 36 + HB3 ASP 36 OK 67 100 75 90 2.2-3.6 3.6=61, 6563/1.8=38...(10) H GLU 43 - HB3 ASP 36 far 0 99 0 - 9.3-10.9 H LYS 68 - HB2 ASP 61 far 0 94 0 - 9.4-9.8 H GLU 43 - HB2 ASP 36 far 0 99 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 1573 from cnoeabs.peaks (4.29, 2.51, 40.21 ppm; 3.14 A increased from 2.95 A): 2 out of 3 assignments used, quality = 1.00: * HA ASP 36 + HB3 ASP 36 OK 100 100 100 100 2.4-3.0 3.0=100 HA ASP 36 + HB2 ASP 36 OK 100 100 100 100 2.4-3.0 3.0=100 HA ASP 65 - HB2 ASP 61 far 0 78 0 - 6.4-6.9 Violated in 0 structures by 0.00 A. Peak 1574 from cnoeabs.peaks (2.50, 2.51, 40.21 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB3 ASP 36 + HB3 ASP 36 OK 100 100 - 100 HB2 ASP 36 + HB2 ASP 36 OK 100 100 - 100 HB2 ASP 61 + HB2 ASP 61 OK 94 94 - 100 HB3 ASP 87 + HB3 ASP 87 OK 94 94 - 100 HB2 ASP 87 + HB2 ASP 87 OK 94 94 - 100 Reference assignment not found: HB2 ASP 36 - HB3 ASP 36 Peak 1575 from cnoeabs.peaks (2.51, 2.51, 40.21 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 ASP 36 + HB3 ASP 36 OK 100 100 - 100 HB2 ASP 36 + HB2 ASP 36 OK 100 100 - 100 HB2 ASP 61 + HB2 ASP 61 OK 94 94 - 100 HB3 ASP 87 + HB3 ASP 87 OK 93 93 - 100 HB2 ASP 87 + HB2 ASP 87 OK 93 93 - 100 Peak 1576 from cnoeabs.peaks (7.74, 2.51, 40.21 ppm; 3.47 A): 2 out of 4 assignments used, quality = 0.98: * H GLU 37 + HB3 ASP 36 OK 92 100 95 96 2.4-3.8 6570=75, 6565/3.6=49...(13) H GLU 37 + HB2 ASP 36 OK 73 100 75 97 2.5-3.9 4.0=63, 6570/1.8=58...(12) H LEU 64 - HB2 ASP 61 far 0 78 0 - 5.2-5.3 H ASN 60 - HB2 ASP 61 far 0 91 0 - 7.0-7.3 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 70 2.6-3.5 3.0/8478=20, 1.8/735=17...(9) HB2 GLU 17 - HA LEU 14 far 0 24 0 - 4.2-5.1 HB VAL 32 - HA GLU 37 far 0 63 0 - 7.0-7.3 QE MET 74 - HA GLU 37 far 0 87 0 - 7.4-7.8 HB2 GLU 35 - HA GLU 37 far 0 77 0 - 7.6-7.8 HG3 GLU 88 - HA LEU 14 far 0 25 0 - 8.0-9.8 HB2 GLU 44 - HA GLU 37 far 0 88 0 - 9.1-9.7 HB3 GLU 44 - HA GLU 37 far 0 88 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 1580 from cnoeabs.peaks (2.13, 3.71, 58.70 ppm; 3.09 A): 3 out of 6 assignments used, quality = 1.00: * HB3 GLU 37 + HA GLU 37 OK 100 100 100 100 2.4-2.6 3.0=100 HG3 GLU 37 + HA GLU 37 OK 80 96 85 99 2.6-3.6 1609=58, 1.8/1581=50...(21) HB2 PRO 86 + HA LEU 14 OK 39 44 100 88 1.9-2.3 3.0/9884=17, 2.3/9885=15...(24) HB3 PRO 86 - HA LEU 14 far 0 36 0 - 3.5-3.9 HB VAL 83 - HA LEU 14 far 0 42 0 - 7.6-8.1 HG2 GLU 88 - HA LEU 14 far 0 40 0 - 8.3-10.7 Violated in 0 structures by 0.00 A. Peak 1581 from cnoeabs.peaks (2.26, 3.71, 58.70 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 37 + HA GLU 37 OK 100 100 100 100 2.3-3.8 1602=94, 1.8/1609=77...(22) HG2 GLU 17 - HA LEU 14 poor 10 41 25 - 3.7-5.1 Violated in 3 structures by 0.01 A. Peak 1582 from cnoeabs.peaks (2.11, 3.71, 58.70 ppm; 3.09 A): 3 out of 10 assignments used, quality = 1.00: HB3 GLU 37 + HA GLU 37 OK 96 96 100 100 2.4-2.6 3.0=100 * HG3 GLU 37 + HA GLU 37 OK 84 100 85 99 2.6-3.6 1609=62, 1.8/1581=50...(22) HB2 PRO 86 + HA LEU 14 OK 38 43 100 89 1.9-2.3 3.0/9884=17, 2.3/9885=15...(24) HB3 PRO 86 - HA LEU 14 far 0 45 0 - 3.5-3.9 HB2 GLU 16 - HA LEU 14 far 0 25 0 - 5.1-6.3 HB3 LEU 38 - HA GLU 37 far 0 63 0 - 5.6-6.1 HB VAL 83 - HA LEU 14 far 0 45 0 - 7.6-8.1 HG2 GLU 88 - HA LEU 14 far 0 27 0 - 8.3-10.7 HB3 GLU 35 - HA GLU 37 far 0 79 0 - 8.3-8.5 HB3 GLU 88 - HA LEU 14 far 0 27 0 - 9.2-9.9 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 3.2-3.4 6615=100, 6625/1782=61...(15) H GLU 44 - HA GLU 37 far 0 75 0 - 8.6-9.0 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 8 assignments used, quality = 1.00: * HB2 LYS 40 + HA GLU 37 OK 99 100 100 99 2.0-2.4 1782=66, 1.8/1794=54...(20) HB3 LYS 40 + HA GLU 37 OK 43 63 70 97 3.3-3.9 1.8/1782=57, 4.1/6615=33...(16) HD2 LYS 20 - HA LEU 14 far 0 28 0 - 7.1-8.8 HD2 LYS 39 - HA GLU 37 far 0 99 0 - 7.2-8.9 HD3 LYS 20 - HA LEU 14 far 0 31 0 - 7.3-9.7 HG3 LYS 20 - HA LEU 14 far 0 31 0 - 8.2-10.0 HD3 LYS 39 - HA GLU 37 far 0 100 0 - 8.5-9.4 HB3 LEU 6 - HA GLU 37 far 0 100 0 - 8.6-9.0 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 15 assignments used, quality = 0.88: * HB3 LYS 40 + HA GLU 37 OK 69 100 70 98 3.3-3.9 1794=58, 1.8/1782=55...(17) HB2 LYS 40 + HA GLU 37 OK 62 63 100 98 2.0-2.4 1.8/1794=52, 1782=34...(19) HG2 PRO 86 - HA LEU 14 far 0 43 0 - 3.6-4.8 HG12 ILE 15 - HA LEU 14 far 0 43 0 - 5.1-7.0 HD3 LYS 90 - HA LEU 14 far 0 42 0 - 5.2-8.1 HD2 LYS 13 - HA LEU 14 far 0 39 0 - 5.7-7.8 HD3 LYS 13 - HA LEU 14 far 0 38 0 - 5.7-7.8 HD2 LYS 20 - HA LEU 14 far 0 44 0 - 7.1-8.8 HD2 LYS 39 - HA GLU 37 far 0 79 0 - 7.2-8.9 HD3 LYS 20 - HA LEU 14 far 0 43 0 - 7.3-9.7 HG3 LYS 20 - HA LEU 14 far 0 43 0 - 8.2-10.0 HD3 LYS 12 - HA LEU 14 far 0 39 0 - 8.3-9.5 HD2 LYS 12 - HA LEU 14 far 0 39 0 - 8.5-10.2 HB3 LEU 6 - HA GLU 37 far 0 68 0 - 8.6-9.0 HB3 LEU 70 - HA GLU 37 far 0 73 0 - 9.0-10.1 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 2.3-2.7 6572=100, 1594/1.8=79...(17) 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 - 9.8-10.3 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 2 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 2.3-2.9 3.0=80, 1609/3.0=30...(15) 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 - 9.7-10.7 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 4 assignments used, quality = 1.00: * HG3 GLU 37 + HB2 GLU 37 OK 98 100 100 98 2.3-2.9 3.0=80, 1609/3.0=32...(15) HB3 GLU 37 + HB2 GLU 37 OK 96 96 100 100 1.8-1.8 1.8=100 HB3 LEU 38 - HB2 GLU 37 far 0 63 0 - 4.1-5.4 HB3 GLU 35 - HB2 GLU 37 far 0 79 0 - 6.9-7.4 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 2.4-2.5 6581=100, 1600/1.8=77...(14) 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 3.5-3.6 6572/1.8=83, 4.1=77...(18) 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 2.4-2.6 3.0=100 HA LEU 42 - HB3 GLU 37 far 0 100 0 - 9.3-9.7 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 5 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 - 4.6-5.5 HB2 GLU 35 - HB3 GLU 37 far 0 77 0 - 8.2-8.6 QE MET 74 - HB3 GLU 37 far 0 87 0 - 8.5-9.1 HB2 GLU 44 - HB3 GLU 37 far 0 88 0 - 9.7-10.2 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 2.3-2.9 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 3.1-3.7 6581/1.8=90, 4.6=75...(14) 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 2.3-3.7 6574=93, 1608/1.8=69...(18) H LEU 64 - HG2 GLU 62 far 0 56 0 - 5.6-6.9 H LEU 64 - HG3 GLU 62 far 0 56 0 - 5.8-6.9 H ASN 60 - HG3 GLU 62 far 0 69 0 - 8.3-9.1 H ASN 60 - HG2 GLU 62 far 0 69 0 - 8.4-9.0 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 2.3-3.8 1581=100, 1609/1.8=80...(22) Violated in 0 structures by 0.00 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 + HG3 GLU 62 OK 37 37 100 100 2.2-3.0 2.9=100 HB2 GLU 62 + HG2 GLU 62 OK 37 37 100 100 2.2-3.0 2.9=100 HB VAL 32 - HG2 GLU 37 far 0 63 0 - 5.9-7.4 HB2 GLU 35 - HG2 GLU 37 far 0 77 0 - 6.7-8.8 HB2 GLU 35 - HG2 GLU 62 far 0 48 0 - 8.3-11.5 HB2 GLU 35 - HG3 GLU 62 far 0 48 0 - 9.2-12.9 QE MET 74 - HG2 GLU 37 far 0 87 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 1604 from cnoeabs.peaks (2.13, 2.26, 36.95 ppm; 2.49 A): 3 out of 12 assignments used, quality = 0.99: 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 83 100 90 92 2.3-2.9 3.0=57, 3.0/1581=23...(16) HB3 GLU 62 + HG3 GLU 62 OK 27 39 90 79 2.3-3.0 2.9=62, 3.0/2729=13...(8) HB3 GLU 62 - HG2 GLU 62 far 6 39 15 - 2.6-3.0 HB2 LEU 64 - HG3 GLU 62 far 0 67 0 - 7.0-8.3 HG2 GLU 69 - HG3 GLU 62 far 0 72 0 - 7.0-10.2 HB2 LEU 64 - HG2 GLU 62 far 0 67 0 - 7.1-8.3 HG2 GLU 69 - HG2 GLU 62 far 0 72 0 - 7.2-9.6 HB2 GLU 69 - HG3 GLU 62 far 0 72 0 - 7.6-10.0 HB2 GLU 69 - HG2 GLU 62 far 0 72 0 - 7.6-9.8 HB3 GLU 69 - HG3 GLU 62 far 0 72 0 - 8.7-11.2 HB3 GLU 69 - HG2 GLU 62 far 0 72 0 - 8.8-10.9 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): 3 out of 16 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 79 96 90 92 2.3-2.9 3.0=57, 3.0/1581=23...(16) HB3 GLU 62 + HG3 GLU 62 OK 43 60 90 80 2.3-3.0 2.9=62, 3.0/2729=13...(8) HB3 GLU 62 - HG2 GLU 62 far 9 60 15 - 2.6-3.0 HB3 LEU 38 - HG2 GLU 37 far 0 63 0 - 5.6-7.8 HB3 GLU 35 - HG2 GLU 62 far 0 50 0 - 6.8-10.1 HB2 LEU 64 - HG3 GLU 62 far 0 72 0 - 7.0-8.3 HG2 GLU 69 - HG3 GLU 62 far 0 64 0 - 7.0-10.2 HB2 LEU 64 - HG2 GLU 62 far 0 72 0 - 7.1-8.3 HB3 GLU 35 - HG2 GLU 37 far 0 79 0 - 7.1-9.4 HG2 GLU 69 - HG2 GLU 62 far 0 64 0 - 7.2-9.6 HB2 GLU 69 - HG3 GLU 62 far 0 64 0 - 7.6-10.0 HB2 GLU 69 - HG2 GLU 62 far 0 64 0 - 7.6-9.8 HB3 GLU 35 - HG3 GLU 62 far 0 50 0 - 7.7-11.5 HB3 GLU 69 - HG3 GLU 62 far 0 64 0 - 8.7-11.2 HB3 GLU 69 - HG2 GLU 62 far 0 64 0 - 8.8-10.9 Violated in 0 structures by 0.00 A. Peak 1607 from cnoeabs.peaks (7.53, 2.26, 36.95 ppm; 5.20 A increased from 4.90 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + HG2 GLU 37 OK 100 100 100 100 3.9-4.9 6583=100, 1614/1.8=95...(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 2.0-4.0 1601/1.8=80, 6575=69...(22) Violated in 2 structures by 0.01 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 2.6-3.6 3.9=81, 1581/1.8=70...(25) 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 2.3-2.9 3.0=100 HB VAL 32 - HG3 GLU 37 far 0 63 0 - 5.9-7.2 HB2 GLU 35 - HG3 GLU 37 far 0 77 0 - 6.6-8.8 QE MET 74 - HG3 GLU 37 far 0 87 0 - 9.5-10.3 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 = 0.90: * H LEU 38 + HG3 GLU 37 OK 90 100 90 100 3.9-4.9 6581/3.0=76...(16) Violated in 3 structures by 0.05 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): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 38 + HA LEU 38 OK 100 100 100 100 2.7-3.0 3.0=100 HG LEU 38 - HA LEU 38 far 10 100 10 - 3.7-3.7 HD3 LYS 40 - HA LEU 38 far 0 99 0 - 6.4-8.3 HD2 LYS 40 - HA LEU 38 far 0 99 0 - 6.5-8.3 HG3 LYS 39 - HA LEU 38 far 0 97 0 - 7.0-7.5 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 4 assignments used, quality = 1.00: * HB3 LEU 38 + HA LEU 38 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 GLU 37 - HA LEU 38 far 0 63 0 - 6.2-6.5 HB3 GLU 35 - HA LEU 38 far 0 99 0 - 7.4-8.0 HB3 GLU 43 - HA LEU 38 far 0 99 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 1619 from cnoeabs.peaks (1.46, 3.87, 58.30 ppm; 3.38 A): 1 out of 5 assignments used, quality = 1.00: HB2 LEU 38 + HA LEU 38 OK 100 100 100 100 2.7-3.0 3.0=100 ! HG LEU 38 - HA LEU 38 far 10 100 10 - 3.7-3.7 HD3 LYS 40 - HA LEU 38 far 0 100 0 - 6.4-8.3 HD2 LYS 40 - HA LEU 38 far 0 100 0 - 6.5-8.3 HG3 LYS 39 - HA LEU 38 far 0 94 0 - 7.0-7.5 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 9 assignments used, quality = 1.00: * QD2 LEU 38 + HA LEU 38 OK 98 100 100 98 2.0-2.1 3.8=51, 2.1/1659=43...(25) QG2 VAL 32 + HA LEU 38 OK 94 99 100 94 2.0-2.1 10162=55, 2.1/8934=37...(12) QD1 LEU 38 + HA LEU 38 OK 59 61 100 96 2.4-2.7 3.8=51, 2.1/1651=29...(22) QD1 LEU 70 - HA LEU 38 far 0 100 0 - 4.6-5.6 QG2 ILE 8 - HA LEU 38 far 0 65 0 - 6.1-7.2 QD2 LEU 70 - HA LEU 38 far 0 96 0 - 6.3-7.2 QD1 ILE 76 - HA LEU 38 far 0 90 0 - 7.3-7.6 QG2 ILE 7 - HA LEU 38 far 0 87 0 - 7.9-8.2 QD2 LEU 57 - HA LEU 38 far 0 82 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 1621 from cnoeabs.peaks (0.86, 3.87, 58.30 ppm; 2.98 A): 3 out of 5 assignments used, quality = 1.00: * QD1 LEU 38 + HA LEU 38 OK 99 100 100 99 2.4-2.7 1659=63, 6602/3.6=28...(24) QG2 VAL 32 + HA LEU 38 OK 70 79 100 89 2.0-2.1 10162=36, 2.1/8934=34...(12) QD2 LEU 38 + HA LEU 38 OK 58 61 100 95 2.0-2.1 3.8=47, 2.1/1659=41...(20) HG13 ILE 8 - HA LEU 38 far 0 82 0 - 5.6-6.9 QG2 ILE 76 - HA LEU 38 far 0 88 0 - 8.6-8.9 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 3 assignments used, quality = 1.00: * H TYR 41 + HA LEU 38 OK 100 100 100 100 3.5-3.8 6656/1890=65...(16) HE ARG 30 - HA LEU 38 far 0 70 0 - 7.1-10.4 H SER 9 - HA LEU 38 far 0 98 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 1624 from cnoeabs.peaks (2.31, 3.87, 58.30 ppm; 5.36 A increased from 4.51 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TYR 41 + HA LEU 38 OK 100 100 100 100 4.7-5.1 1882=100, 1.8/1890=96...(12) HG3 GLU 43 - HA LEU 38 far 0 99 0 - 7.5-9.4 HB2 TYR 4 - HA LEU 38 far 0 88 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 1625 from cnoeabs.peaks (2.64, 3.87, 58.30 ppm; 4.52 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 41 + HA LEU 38 OK 100 100 100 100 3.1-3.5 1890=100, 2.5/14602=64...(17) HD2 ARG 30 - HA LEU 38 far 0 68 0 - 7.4-9.9 HG3 MET 74 - HA LEU 38 far 0 96 0 - 8.6-11.3 Violated in 0 structures by 0.00 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 2.1-2.9 6586=100, 6587/1.8=90...(25) Violated in 0 structures by 0.00 A. Peak 1627 from cnoeabs.peaks (3.87, 1.46, 40.84 ppm; 3.74 A): 2 out of 7 assignments used, quality = 1.00: * HA LEU 38 + HB2 LEU 38 OK 100 100 100 100 2.7-3.0 3.0=100 HA GLU 35 + HB2 LEU 38 OK 92 98 100 94 2.8-3.5 12057/6586=49, 4017=36...(11) HA ALA 67 - HB2 LEU 38 far 0 92 0 - 4.1-5.2 HA GLU 63 - HB2 LEU 38 far 0 57 0 - 7.0-8.3 HA ALA 71 - HB2 LEU 38 far 0 81 0 - 7.1-8.9 HA LYS 40 - HB2 LEU 38 far 0 99 0 - 7.2-8.1 HA GLU 43 - HB2 LEU 38 far 0 99 0 - 9.9-11.3 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 0 99 0 - 4.9-5.6 HG3 GLU 37 - HB2 LEU 38 far 0 63 0 - 6.6-7.3 HB3 GLU 43 - HB2 LEU 38 far 0 99 0 - 9.2-10.8 HB2 MET 74 - HB2 LEU 38 far 0 99 0 - 9.4-12.0 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): 3 out of 9 assignments used, quality = 1.00: * QD2 LEU 38 + HB2 LEU 38 OK 100 100 100 100 2.2-3.2 3.1=100 QD1 LEU 70 + HB2 LEU 38 OK 65 100 95 69 2.2-4.2 6601/6598=23...(11) QD1 LEU 38 + HB2 LEU 38 OK 61 61 100 100 2.2-3.2 3.1=100 QG2 VAL 32 - HB2 LEU 38 far 10 99 10 - 3.3-4.4 QD2 LEU 70 - HB2 LEU 38 far 0 96 0 - 4.0-6.1 QG2 ILE 8 - HB2 LEU 38 far 0 65 0 - 5.1-7.1 QD1 ILE 76 - HB2 LEU 38 far 0 90 0 - 7.1-8.5 QG2 ILE 7 - HB2 LEU 38 far 0 87 0 - 8.6-9.9 QD2 LEU 57 - HB2 LEU 38 far 0 82 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 1632 from cnoeabs.peaks (0.86, 1.46, 40.84 ppm; 3.44 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 38 + HB2 LEU 38 OK 100 100 100 100 2.2-3.2 3.1=100 QD2 LEU 38 + HB2 LEU 38 OK 61 61 100 100 2.2-3.2 3.1=100 QG2 VAL 32 - HB2 LEU 38 far 8 79 10 - 3.3-4.4 HG13 ILE 8 - HB2 LEU 38 far 0 82 0 - 5.0-7.5 QG2 ILE 76 - HB2 LEU 38 far 0 88 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 1633 from cnoeabs.peaks (8.08, 1.46, 40.84 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + HB2 LEU 38 OK 100 100 100 100 2.3-3.4 6598=100, 6599/1.8=93...(18) 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 2.1-3.0 6587=100, 6588/1.8=90...(20) Violated in 0 structures by 0.00 A. Peak 1635 from cnoeabs.peaks (3.87, 2.07, 40.84 ppm; 3.64 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 38 + HB3 LEU 38 OK 100 100 100 100 2.6-3.0 3.0=100 HA GLU 35 + HB3 LEU 38 OK 82 98 100 84 2.6-3.5 12057/6587=45...(7) HA ALA 67 - HB3 LEU 38 far 0 92 0 - 4.1-5.5 HA GLU 63 - HB3 LEU 38 far 0 57 0 - 6.7-7.8 HA ALA 71 - HB3 LEU 38 far 0 81 0 - 6.9-9.4 HA LYS 40 - HB3 LEU 38 far 0 99 0 - 7.3-8.2 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 8 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 2.4-2.5 3.0=100 HG3 LYS 39 - HB3 LEU 38 far 0 97 0 - 5.2-8.0 HG3 LYS 66 - HB3 LEU 38 far 0 61 0 - 7.7-8.5 HD2 LYS 40 - HB3 LEU 38 far 0 99 0 - 7.7-9.6 HD3 LYS 40 - HB3 LEU 38 far 0 99 0 - 7.8-9.9 HG2 LYS 66 - HB3 LEU 38 far 0 65 0 - 8.5-9.5 HG2 LYS 73 - HB3 LEU 38 far 0 63 0 - 8.9-11.8 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 8 assignments used, quality = 1.00: * HG LEU 38 + HB3 LEU 38 OK 100 100 100 100 2.4-2.5 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 far 0 94 0 - 5.2-8.0 HG3 LYS 66 - HB3 LEU 38 far 0 70 0 - 7.7-8.5 HD2 LYS 40 - HB3 LEU 38 far 0 100 0 - 7.7-9.6 HD3 LYS 40 - HB3 LEU 38 far 0 100 0 - 7.8-9.9 HG2 LYS 66 - HB3 LEU 38 far 0 73 0 - 8.5-9.5 HG2 LYS 73 - HB3 LEU 38 far 0 71 0 - 8.9-11.8 Violated in 0 structures by 0.00 A. Peak 1639 from cnoeabs.peaks (0.82, 2.07, 40.84 ppm; 3.32 A): 3 out of 9 assignments used, quality = 1.00: * QD2 LEU 38 + HB3 LEU 38 OK 100 100 100 100 2.3-3.2 3.1=100 QG2 VAL 32 + HB3 LEU 38 OK 83 99 90 93 3.1-4.3 10162/3.0=45...(13) QD1 LEU 38 + HB3 LEU 38 OK 61 61 100 100 2.3-3.2 3.1=100 QD1 LEU 70 - HB3 LEU 38 far 15 100 15 - 2.4-4.2 QD2 LEU 70 - HB3 LEU 38 far 0 96 0 - 4.1-6.4 QG2 ILE 8 - HB3 LEU 38 far 0 65 0 - 4.9-6.9 QD1 ILE 76 - HB3 LEU 38 far 0 90 0 - 7.2-8.8 QG2 ILE 7 - HB3 LEU 38 far 0 87 0 - 8.2-9.8 QD2 LEU 57 - HB3 LEU 38 far 0 82 0 - 9.6-10.4 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 5 assignments used, quality = 1.00: * QD1 LEU 38 + HB3 LEU 38 OK 100 100 100 100 2.3-3.2 3.1=100 QG2 VAL 32 + HB3 LEU 38 OK 66 79 90 93 3.1-4.3 10162/3.0=36...(13) QD2 LEU 38 + HB3 LEU 38 OK 61 61 100 100 2.3-3.2 3.1=100 HG13 ILE 8 - HB3 LEU 38 far 0 82 0 - 4.5-7.5 QG2 ILE 76 - HB3 LEU 38 far 0 88 0 - 9.0-10.3 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 2.4-3.6 6599=100, 6600/1.8=92...(12) Violated in 0 structures by 0.00 A. Peak 1642 from cnoeabs.peaks (7.53, 1.46, 27.00 ppm; 4.16 A): 1 out of 4 assignments used, quality = 0.39: H ILE 76 + HG13 ILE 76 OK 39 39 100 100 3.4-3.7 4.5=77, 7256/1.8=65...(13) H ILE 52 - HG13 ILE 52 far 2 50 5 - 4.3-4.6 ! H LEU 38 - HG LEU 38 far 0 100 0 - 4.5-4.5 H ILE 52 - HG13 ILE 76 far 0 28 0 - 7.9-9.1 Violated in 0 structures by 0.00 A. Peak 1643 from cnoeabs.peaks (3.87, 1.46, 27.00 ppm; 3.76 A): 3 out of 21 assignments used, quality = 1.00: * HA LEU 38 + HG LEU 38 OK 100 100 100 100 3.7-3.7 3.7=100 HA ARG 91 + HG3 ARG 91 OK 83 83 100 100 2.5-3.5 4.0=84, 4016/1.8=67...(23) HA ALA 67 + HG LEU 38 OK 56 92 100 61 2.5-3.3 ~9526=28, 1659/2.1=25...(8) HA GLU 35 - HG LEU 38 far 10 98 10 - 4.0-4.7 HB3 SER 49 - HG13 ILE 76 far 0 51 0 - 4.2-6.0 HA ALA 71 - HG13 ILE 76 far 0 40 0 - 4.5-5.3 HA GLU 43 - HG13 ILE 76 far 0 56 0 - 5.8-6.4 HA GLU 63 - HG LEU 38 far 0 57 0 - 6.0-6.8 HA ALA 89 - HG3 ARG 91 far 0 67 0 - 6.7-8.0 HA ALA 67 - HG LEU 64 far 0 69 0 - 6.9-7.3 HA GLU 63 - HG LEU 64 far 0 39 0 - 7.0-7.1 HA LYS 94 - HG3 ARG 91 far 0 87 0 - 7.0-8.2 HA ALA 71 - HG LEU 38 far 0 81 0 - 7.2-7.9 HB3 SER 49 - HG13 ILE 52 far 0 84 0 - 7.7-8.4 HA3 GLY 101 - HG13 ILE 52 far 0 82 0 - 9.0-11.1 HA ALA 89 - HG LEU 29 far 0 53 0 - 9.0-9.6 HB2 SER 102 - HG13 ILE 52 far 0 81 0 - 9.1-16.3 HA LYS 40 - HG LEU 38 far 0 99 0 - 9.3-9.5 HA2 GLY 100 - HG13 ILE 52 far 0 91 0 - 9.4-11.3 HA2 GLY 101 - HG13 ILE 52 far 0 91 0 - 9.4-11.5 HB2 SER 85 - HG3 ARG 91 far 0 64 0 - 9.8-11.7 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 24 assignments used, quality = 1.00: * HB3 LEU 38 + HG LEU 38 OK 100 100 100 100 2.4-2.5 3.0=100 HB2 MET 74 + HG13 ILE 76 OK 54 55 100 97 3.0-3.6 9664/1.8=42, ~9665=33...(17) HB3 GLU 48 + HG13 ILE 52 OK 44 74 60 99 3.4-4.7 9041/2.1=46, ~9040=35...(21) HG12 ILE 93 - HG LEU 29 far 0 42 0 - 5.0-5.9 HB3 GLU 88 - HG3 ARG 91 far 0 88 0 - 5.7-7.5 HB3 GLU 35 - HG LEU 38 far 0 99 0 - 5.8-6.7 QE MET 21 - HG3 ARG 91 far 0 69 0 - 6.3-7.8 HG3 GLU 28 - HG LEU 29 far 0 71 0 - 7.6-9.4 HG2 GLU 28 - HG LEU 29 far 0 71 0 - 7.6-9.3 HG2 GLU 28 - HG13 ILE 52 far 0 90 0 - 7.8-9.9 HB2 MET 21 - HG LEU 29 far 0 60 0 - 7.9-8.6 HG3 GLU 37 - HG LEU 38 far 0 63 0 - 8.2-8.9 HB2 GLU 98 - HG3 ARG 91 far 0 66 0 - 8.2-9.5 QE MET 21 - HG LEU 29 far 0 55 0 - 8.3-8.6 HG3 GLU 28 - HG13 ILE 52 far 0 90 0 - 8.4-10.0 HB3 GLU 48 - HG13 ILE 76 far 0 43 0 - 8.5-10.0 HB3 GLU 43 - HG13 ILE 76 far 0 56 0 - 8.7-9.2 HB3 GLU 62 - HG LEU 64 far 0 73 0 - 8.7-8.9 HB3 GLU 99 - HG3 ARG 91 far 0 54 0 - 9.2-12.3 HG12 ILE 93 - HG3 ARG 91 far 0 54 0 - 9.3-9.9 HB2 GLU 99 - HG3 ARG 91 far 0 64 0 - 9.4-11.8 HB2 MET 21 - HG3 ARG 91 far 0 74 0 - 9.6-10.6 HB3 GLU 98 - HG3 ARG 91 far 0 64 0 - 9.6-11.1 HB2 GLU 23 - HG LEU 29 far 0 68 0 - 10.0-10.4 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): 4 out of 35 assignments used, quality = 1.00: * QD2 LEU 38 + HG LEU 38 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 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 29 100 85 34 2.8-3.9 1631/3.0=15, 6601/1649=7...(6) QG2 ILE 7 - HG LEU 29 far 0 57 0 - 3.8-4.4 QD2 LEU 2 - HG13 ILE 52 far 0 87 0 - 3.8-4.5 QG2 VAL 32 - HG LEU 38 far 0 99 0 - 4.1-4.2 QG2 ILE 8 - HG LEU 38 far 0 65 0 - 5.3-6.0 QG2 ILE 15 - HG LEU 29 far 0 68 0 - 5.3-6.4 QD2 LEU 70 - HG LEU 38 far 0 96 0 - 5.4-6.2 QD2 LEU 57 - HG LEU 29 far 0 53 0 - 5.7-7.6 QG2 VAL 32 - HG LEU 29 far 0 71 0 - 6.5-6.8 QD1 LEU 57 - HG3 ARG 91 far 0 88 0 - 6.6-8.1 QD2 LEU 103 - HG3 ARG 91 far 0 89 0 - 7.1-19.4 QD1 ILE 76 - HG13 ILE 52 far 0 78 0 - 7.2-8.4 QD2 LEU 57 - HG LEU 64 far 0 60 0 - 7.4-9.0 QD1 ILE 76 - HG LEU 38 far 0 90 0 - 7.4-8.0 QD1 LEU 38 - HG13 ILE 76 far 0 29 0 - 7.6-8.0 QD2 LEU 38 - HG LEU 29 far 0 73 0 - 7.6-8.3 QD2 LEU 57 - HG3 ARG 91 far 0 67 0 - 7.8-9.3 QD1 LEU 57 - HG LEU 29 far 0 73 0 - 8.0-8.6 QD1 LEU 57 - HG LEU 64 far 0 80 0 - 8.1-8.5 QD1 LEU 38 - HG LEU 64 far 0 43 0 - 8.2-9.1 QD2 LEU 38 - HG LEU 64 far 0 81 0 - 8.3-9.1 QD1 LEU 70 - HG LEU 64 far 0 79 0 - 8.3-8.6 QG2 ILE 8 - HG LEU 64 far 0 46 0 - 8.4-8.9 QD2 LEU 57 - HG LEU 38 far 0 82 0 - 8.4-8.9 QG2 ILE 7 - HG LEU 38 far 0 87 0 - 8.4-9.0 QD2 LEU 70 - HG13 ILE 76 far 0 52 0 - 8.5-9.4 QD1 LEU 70 - HG13 ILE 76 far 0 57 0 - 9.1-9.8 QG2 ILE 8 - HG LEU 29 far 0 41 0 - 9.1-9.8 QD1 LEU 38 - HG LEU 29 far 0 38 0 - 9.1-9.7 QD2 LEU 2 - HG13 ILE 76 far 0 53 0 - 9.5-12.3 QD1 LEU 57 - HG LEU 38 far 0 100 0 - 9.6-10.6 QD2 LEU 38 - HG13 ILE 76 far 0 58 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 1648 from cnoeabs.peaks (0.86, 1.46, 27.00 ppm; 3.42 A): 5 out of 28 assignments used, quality = 1.00: * QD1 LEU 38 + HG LEU 38 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 64 + HG LEU 64 OK 80 80 100 100 2.1-2.1 2.1=100 QD1 LEU 2 + HG13 ILE 52 OK 77 78 100 98 2.2-3.6 12039=71, 10640/2.1=28...(20) 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 2.3-2.4 3.2=100 QG2 VAL 32 - HG LEU 38 far 0 79 0 - 4.1-4.2 HG13 ILE 8 - HG LEU 38 far 0 82 0 - 4.9-5.6 QG2 ILE 76 - HG13 ILE 52 far 0 77 0 - 5.5-6.5 HG13 ILE 7 - HG LEU 29 far 0 45 0 - 6.0-7.3 QD1 LEU 103 - HG3 ARG 91 far 0 89 0 - 6.3-20.4 QG2 VAL 32 - HG LEU 29 far 0 51 0 - 6.5-6.8 QD1 LEU 57 - HG3 ARG 91 far 0 57 0 - 6.6-8.1 QD2 LEU 103 - HG3 ARG 91 far 0 56 0 - 7.1-19.4 QD1 LEU 38 - HG13 ILE 76 far 0 58 0 - 7.6-8.0 QD2 LEU 38 - HG LEU 29 far 0 38 0 - 7.6-8.3 QD1 LEU 57 - HG LEU 29 far 0 45 0 - 8.0-8.6 QD1 LEU 57 - HG LEU 64 far 0 50 0 - 8.1-8.5 QD1 LEU 38 - HG LEU 64 far 0 81 0 - 8.2-9.1 QD2 LEU 38 - HG LEU 64 far 0 43 0 - 8.3-9.1 HG13 ILE 8 - HG LEU 29 far 0 53 0 - 8.4-9.8 QG2 ILE 76 - HG LEU 38 far 0 88 0 - 8.6-9.2 QD1 LEU 2 - HG13 ILE 76 far 0 46 0 - 8.7-9.9 QD1 LEU 38 - HG LEU 29 far 0 73 0 - 9.1-9.7 HG13 ILE 8 - HG LEU 64 far 0 60 0 - 9.1-11.4 QD2 LEU 64 - HG LEU 38 far 0 100 0 - 9.3-10.0 QD1 LEU 57 - HG LEU 38 far 0 71 0 - 9.6-10.6 QD1 LEU 103 - HG13 ILE 52 far 0 92 0 - 9.6-16.5 QD2 LEU 38 - HG13 ILE 76 far 0 29 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 1649 from cnoeabs.peaks (8.08, 1.46, 27.00 ppm; 5.43 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 39 + HG LEU 38 OK 100 100 100 100 4.7-4.9 6602/2.1=98, 6600/3.0=97...(10) H GLU 75 + HG13 ILE 76 OK 55 57 100 97 4.8-5.2 7247/4.5=77, 4.0/9888=63...(7) H LYS 90 - HG3 ARG 91 far 0 50 0 - 6.9-7.4 H GLU 17 - HG LEU 29 far 0 62 0 - 9.7-10.4 H ILE 15 - HG LEU 29 far 0 71 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 1650 from cnoeabs.peaks (7.53, 0.82, 25.55 ppm; 5.39 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 38 + QD2 LEU 38 OK 100 100 100 100 3.4-3.7 4.5=100 H LEU 38 + QD1 LEU 70 OK 67 67 100 99 4.2-5.2 12057/10167=84...(8) H ILE 76 - QD1 LEU 70 far 0 46 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 1651 from cnoeabs.peaks (3.87, 0.82, 25.55 ppm; 3.24 A): 3 out of 23 assignments used, quality = 1.00: * HA LEU 38 + QD2 LEU 38 OK 99 100 100 99 2.0-2.1 3.8=60, 1659/2.1=48...(23) HA GLU 35 + QD1 LEU 70 OK 53 62 90 94 2.9-3.6 10609=74, 3.0/10420=38...(11) HA ALA 67 + QD1 LEU 70 OK 48 56 100 85 2.5-3.4 9524=40, 3.0/9519=27...(10) HA ALA 67 - QD2 LEU 38 far 0 92 0 - 3.8-4.4 HA ALA 89 - QD2 LEU 57 far 0 46 0 - 4.2-4.7 HA GLU 35 - QD2 LEU 38 far 0 98 0 - 4.4-4.9 HA LEU 38 - QD1 LEU 70 far 0 67 0 - 4.6-5.6 HA ALA 71 - QD1 LEU 70 far 0 47 0 - 5.5-5.8 HA GLU 63 - QD1 LEU 70 far 0 31 0 - 5.6-6.0 HA GLU 63 - QD2 LEU 38 far 0 57 0 - 6.0-6.8 HA ALA 71 - QD2 LEU 38 far 0 81 0 - 6.9-7.6 HA LYS 40 - QD1 LEU 70 far 0 65 0 - 7.3-8.2 HA LYS 40 - QD2 LEU 38 far 0 99 0 - 7.5-7.8 HA2 GLY 101 - QD2 LEU 57 far 0 62 0 - 8.3-13.1 HA ALA 67 - QD2 LEU 57 far 0 54 0 - 8.4-8.8 HA ARG 91 - QD2 LEU 57 far 0 59 0 - 8.4-8.9 HA LYS 94 - QD2 LEU 57 far 0 62 0 - 8.5-9.5 HA GLU 43 - QD1 LEU 70 far 0 65 0 - 8.9-9.8 HA LEU 38 - QD2 LEU 57 far 0 64 0 - 9.2-10.0 HA3 GLY 101 - QD2 LEU 57 far 0 55 0 - 9.3-12.1 HA GLU 43 - QD2 LEU 38 far 0 99 0 - 9.4-9.7 HA GLU 63 - QD2 LEU 57 far 0 30 0 - 9.6-10.1 HB2 SER 85 - QD2 LEU 57 far 0 44 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 1652 from cnoeabs.peaks (1.46, 0.82, 25.55 ppm; 3.02 A): 3 out of 37 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 2.2-3.2 3.1=90, 1660/2.1=31...(15) HB2 LEU 38 + QD1 LEU 70 OK 38 67 90 64 2.2-4.2 1631=22, 6598/6601=19...(11) HG LEU 38 - QD1 LEU 70 poor 8 67 35 36 2.8-3.9 3.0/1631=12, 1647=10...(7) HG3 LYS 39 - QD1 LEU 70 far 0 62 0 - 3.4-6.3 HG12 ILE 7 - QD2 LEU 57 far 0 41 0 - 4.1-5.3 HG3 LYS 66 - QD1 LEU 70 far 0 34 0 - 4.3-4.6 HG2 LYS 66 - QD1 LEU 70 far 0 37 0 - 4.9-5.2 HG2 LYS 73 - QD1 LEU 70 far 0 35 0 - 5.6-6.1 HG LEU 29 - QD2 LEU 57 far 0 54 0 - 5.7-7.6 QB ALA 22 - QD2 LEU 57 far 0 54 0 - 6.1-7.6 HB3 LEU 64 - QD2 LEU 57 far 0 36 0 - 6.5-8.1 HG3 LYS 39 - QD2 LEU 38 far 0 97 0 - 7.2-8.1 HD3 LYS 40 - QD2 LEU 38 far 0 99 0 - 7.2-9.0 HG12 ILE 7 - QD2 LEU 38 far 0 75 0 - 7.3-7.7 HG LEU 64 - QD2 LEU 57 far 0 48 0 - 7.4-9.0 HD2 LYS 40 - QD2 LEU 38 far 0 99 0 - 7.4-9.0 HG LEU 29 - QD2 LEU 38 far 0 92 0 - 7.6-8.3 HB3 LEU 64 - QD2 LEU 38 far 0 68 0 - 7.8-8.5 HG3 ARG 91 - QD2 LEU 57 far 0 64 0 - 7.8-9.3 HG3 LYS 66 - QD2 LEU 38 far 0 61 0 - 7.9-8.5 HB2 LEU 27 - QD2 LEU 57 far 0 64 0 - 7.9-9.5 HD2 LYS 82 - QD2 LEU 57 far 0 64 0 - 8.1-9.9 HG2 LYS 66 - QD2 LEU 38 far 0 65 0 - 8.1-8.9 HG LEU 64 - QD2 LEU 38 far 0 85 0 - 8.3-9.1 HG LEU 64 - QD1 LEU 70 far 0 51 0 - 8.3-8.6 HG LEU 38 - QD2 LEU 57 far 0 64 0 - 8.4-8.9 HB3 LEU 64 - QD1 LEU 70 far 0 38 0 - 8.7-9.1 HB2 ARG 91 - QD2 LEU 57 far 0 41 0 - 8.8-9.3 HD2 LYS 40 - QD1 LEU 70 far 0 65 0 - 8.9-10.2 HG13 ILE 76 - QD1 LEU 70 far 0 57 0 - 9.1-9.8 QB ALA 22 - QD2 LEU 38 far 0 92 0 - 9.3-9.8 HD3 LYS 40 - QD1 LEU 70 far 0 64 0 - 9.3-11.0 HG2 LYS 73 - QD2 LEU 38 far 0 63 0 - 9.6-10.6 HG13 ILE 76 - QD2 LEU 38 far 0 93 0 - 9.7-10.2 HD2 LYS 53 - QD2 LEU 57 far 0 64 0 - 10.0-11.4 HB2 LEU 38 - QD2 LEU 57 far 0 64 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 1653 from cnoeabs.peaks (2.07, 0.82, 25.55 ppm; 3.46 A): 2 out of 21 assignments used, quality = 1.00: * HB3 LEU 38 + QD2 LEU 38 OK 100 100 100 100 2.3-3.2 3.1=100 HB3 GLU 35 + QD1 LEU 70 OK 44 65 70 95 3.1-4.0 10420=65, 3.0/10167=51...(10) HB3 LEU 38 - QD1 LEU 70 far 10 67 15 - 2.4-4.2 HG12 ILE 93 - QD2 LEU 57 far 0 36 0 - 4.0-6.0 HB3 GLU 88 - QD2 LEU 57 far 0 64 0 - 6.1-6.9 HG3 GLU 37 - QD2 LEU 38 far 0 63 0 - 6.2-6.9 HB3 GLU 35 - QD2 LEU 38 far 0 99 0 - 6.2-6.8 QE MET 21 - QD2 LEU 57 far 0 47 0 - 7.2-8.5 HG3 GLU 37 - QD1 LEU 70 far 0 35 0 - 7.3-9.1 HB2 MET 74 - QD1 LEU 70 far 0 64 0 - 7.6-8.8 HB2 MET 21 - QD2 LEU 57 far 0 52 0 - 8.0-9.6 HB2 GLU 99 - QD2 LEU 57 far 0 44 0 - 8.8-11.5 HB3 GLU 43 - QD2 LEU 38 far 0 99 0 - 8.8-9.5 HB3 GLU 62 - QD1 LEU 70 far 0 60 0 - 8.8-9.3 HB3 GLU 43 - QD1 LEU 70 far 0 65 0 - 9.1-10.3 HB2 MET 74 - QD2 LEU 38 far 0 99 0 - 9.4-10.4 HB3 GLU 99 - QD2 LEU 57 far 0 36 0 - 9.5-11.5 HB3 LEU 38 - QD2 LEU 57 far 0 64 0 - 9.6-10.4 HG3 GLU 104 - QD2 LEU 57 far 0 48 0 - 9.7-20.8 HB3 PRO 86 - QD2 LEU 57 far 0 40 0 - 9.9-10.8 HG12 ILE 93 - QD2 LEU 38 far 0 68 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 1654 from cnoeabs.peaks (1.46, 0.82, 25.55 ppm; 3.02 A): 3 out of 37 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 2.2-3.2 3.1=90, 1662/2.1=31...(15) HB2 LEU 38 + QD1 LEU 70 OK 38 67 90 63 2.2-4.2 1631=22, 6600/6601=19...(11) HG LEU 38 - QD1 LEU 70 poor 8 67 35 34 2.8-3.9 3.0/1631=12, 1647=10...(6) HG3 LYS 39 - QD1 LEU 70 far 0 58 0 - 3.4-6.3 HG12 ILE 7 - QD2 LEU 57 far 0 36 0 - 4.1-5.3 HG3 LYS 66 - QD1 LEU 70 far 0 39 0 - 4.3-4.6 HG2 LYS 66 - QD1 LEU 70 far 0 42 0 - 4.9-5.2 HG2 LYS 73 - QD1 LEU 70 far 0 41 0 - 5.6-6.1 HG LEU 29 - QD2 LEU 57 far 0 49 0 - 5.7-7.6 QB ALA 22 - QD2 LEU 57 far 0 49 0 - 6.1-7.6 HB3 LEU 64 - QD2 LEU 57 far 0 41 0 - 6.5-8.1 HG3 LYS 39 - QD2 LEU 38 far 0 94 0 - 7.2-8.1 HD3 LYS 40 - QD2 LEU 38 far 0 100 0 - 7.2-9.0 HG12 ILE 7 - QD2 LEU 38 far 0 68 0 - 7.3-7.7 HG LEU 64 - QD2 LEU 57 far 0 53 0 - 7.4-9.0 HD2 LYS 40 - QD2 LEU 38 far 0 100 0 - 7.4-9.0 HG LEU 29 - QD2 LEU 38 far 0 87 0 - 7.6-8.3 HB3 LEU 64 - QD2 LEU 38 far 0 75 0 - 7.8-8.5 HG3 ARG 91 - QD2 LEU 57 far 0 63 0 - 7.8-9.3 HG3 LYS 66 - QD2 LEU 38 far 0 70 0 - 7.9-8.5 HB2 LEU 27 - QD2 LEU 57 far 0 64 0 - 7.9-9.5 HD2 LYS 82 - QD2 LEU 57 far 0 64 0 - 8.1-9.9 HG2 LYS 66 - QD2 LEU 38 far 0 73 0 - 8.1-8.9 HG LEU 64 - QD2 LEU 38 far 0 91 0 - 8.3-9.1 HG LEU 64 - QD1 LEU 70 far 0 55 0 - 8.3-8.6 HG LEU 38 - QD2 LEU 57 far 0 64 0 - 8.4-8.9 HB3 LEU 64 - QD1 LEU 70 far 0 43 0 - 8.7-9.1 HB2 ARG 91 - QD2 LEU 57 far 0 46 0 - 8.8-9.3 HD2 LYS 40 - QD1 LEU 70 far 0 66 0 - 8.9-10.2 HG13 ILE 76 - QD1 LEU 70 far 0 53 0 - 9.1-9.8 QB ALA 22 - QD2 LEU 38 far 0 87 0 - 9.3-9.8 HD3 LYS 40 - QD1 LEU 70 far 0 66 0 - 9.3-11.0 HG2 LYS 73 - QD2 LEU 38 far 0 71 0 - 9.6-10.6 HG13 ILE 76 - QD2 LEU 38 far 0 88 0 - 9.7-10.2 HD2 LYS 53 - QD2 LEU 57 far 0 64 0 - 10.0-11.4 HB2 LEU 38 - QD2 LEU 57 far 0 64 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 1655 from cnoeabs.peaks (0.82, 0.82, 25.55 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD2 LEU 38 + QD2 LEU 38 OK 100 100 - 100 QD1 LEU 70 + QD1 LEU 70 OK 66 66 - 100 QD2 LEU 57 + QD2 LEU 57 OK 46 46 - 100 Peak 1656 from cnoeabs.peaks (0.86, 0.82, 25.55 ppm; diagonal): 1 out of 1 assignment used, quality = 0.61: QD2 LEU 38 + QD2 LEU 38 OK 61 61 - 100 Reference assignment not found: QD1 LEU 38 - QD2 LEU 38 Peak 1657 from cnoeabs.peaks (8.08, 0.82, 25.55 ppm; 5.07 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 39 + QD2 LEU 38 OK 100 100 100 100 4.6-4.7 6602/2.1=95, 6598/3.1=92...(8) H LYS 39 + QD1 LEU 70 OK 67 67 100 99 3.2-4.2 6601=56, ~10822=52...(16) H LYS 90 - QD2 LEU 57 far 0 34 0 - 6.9-7.6 H GLU 75 - QD1 LEU 70 far 0 66 0 - 8.8-9.3 H ILE 15 - QD2 LEU 57 far 0 62 0 - 9.6-10.8 H GLU 17 - QD2 LEU 57 far 0 54 0 - 9.9-11.3 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 4.2-4.3 4.5=97, 6588/3.1=85...(16) H ILE 76 - QD1 LEU 38 far 0 79 0 - 7.8-8.4 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 99 100 100 99 2.4-2.7 3.8=52, 3.6/6602=30...(24) HA ALA 67 + QD1 LEU 38 OK 42 92 100 46 2.7-3.3 ~9526=19, 1643/2.1=11...(7) HA ALA 71 - QD1 LEU 38 far 0 81 0 - 4.5-5.1 HA GLU 35 - QD1 LEU 38 far 0 98 0 - 4.6-5.3 HA LYS 40 - QD1 LEU 38 far 0 99 0 - 6.5-6.7 HA GLU 63 - QD1 LEU 38 far 0 57 0 - 7.0-7.6 HA GLU 43 - QD1 LEU 38 far 0 99 0 - 7.5-7.8 Violated in 0 structures by 0.00 A. Peak 1660 from cnoeabs.peaks (1.46, 0.86, 23.57 ppm; 3.01 A): 2 out of 13 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 99 100 100 99 2.2-3.2 3.1=89, 3.0/1659=33...(17) HG3 LYS 39 - QD1 LEU 38 far 0 97 0 - 4.9-6.4 HG2 LYS 73 - QD1 LEU 38 far 0 63 0 - 7.2-8.2 HG13 ILE 76 - QD1 LEU 38 far 0 93 0 - 7.6-8.0 HG3 LYS 66 - QD1 LEU 38 far 0 61 0 - 7.6-8.2 HD3 LYS 40 - QD1 LEU 38 far 0 99 0 - 7.7-9.0 HD2 LYS 40 - QD1 LEU 38 far 0 99 0 - 7.8-8.9 HG2 LYS 66 - QD1 LEU 38 far 0 65 0 - 8.0-8.5 HG LEU 64 - QD1 LEU 38 far 0 85 0 - 8.2-9.1 HB3 LEU 64 - QD1 LEU 38 far 0 68 0 - 8.5-9.2 HG LEU 29 - QD1 LEU 38 far 0 92 0 - 9.1-9.7 HG12 ILE 7 - QD1 LEU 38 far 0 75 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 1661 from cnoeabs.peaks (2.07, 0.86, 23.57 ppm; 3.77 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 38 + QD1 LEU 38 OK 100 100 100 100 2.3-3.2 3.1=100 HB3 GLU 35 - QD1 LEU 38 far 0 99 0 - 6.2-7.0 HB2 MET 74 - QD1 LEU 38 far 0 99 0 - 6.9-7.9 HB3 GLU 43 - QD1 LEU 38 far 0 99 0 - 7.4-8.2 HG3 GLU 37 - QD1 LEU 38 far 0 63 0 - 7.5-7.8 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 13 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 99 100 100 99 2.2-3.2 3.1=89, 3.0/1659=33...(17) HG3 LYS 39 - QD1 LEU 38 far 0 94 0 - 4.9-6.4 HG2 LYS 73 - QD1 LEU 38 far 0 71 0 - 7.2-8.2 HG13 ILE 76 - QD1 LEU 38 far 0 88 0 - 7.6-8.0 HG3 LYS 66 - QD1 LEU 38 far 0 70 0 - 7.6-8.2 HD3 LYS 40 - QD1 LEU 38 far 0 100 0 - 7.7-9.0 HD2 LYS 40 - QD1 LEU 38 far 0 100 0 - 7.8-8.9 HG2 LYS 66 - QD1 LEU 38 far 0 73 0 - 8.0-8.5 HG LEU 64 - QD1 LEU 38 far 0 91 0 - 8.2-9.1 HB3 LEU 64 - QD1 LEU 38 far 0 75 0 - 8.5-9.2 HG LEU 29 - QD1 LEU 38 far 0 87 0 - 9.1-9.7 HG12 ILE 7 - QD1 LEU 38 far 0 68 0 - 9.4-9.8 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 3.5-3.6 6602=100, 6598/3.1=98...(12) H GLU 75 - QD1 LEU 38 far 0 100 0 - 8.7-9.3 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 2.8-2.8 3.0=100 H GLU 75 - HA LYS 39 far 0 100 0 - 9.3-10.0 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 2.6-3.0 3.0=100 HB2 LEU 42 + HA LYS 39 OK 98 99 100 98 2.4-2.7 1.8/1679=45, 3.1/8953=43...(16) HG3 ARG 46 - HA LYS 39 far 0 99 0 - 6.7-10.5 HB2 LYS 66 - HA LYS 39 far 0 73 0 - 7.9-9.2 HG2 ARG 46 - HA LYS 39 far 0 82 0 - 8.1-10.4 HB VAL 78 - HA LYS 39 far 0 94 0 - 9.3-9.9 HB ILE 56 - HA LYS 39 far 0 68 0 - 9.9-10.6 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 2.4-3.0 3.0=100 HG LEU 42 + HA LYS 39 OK 64 70 95 98 3.4-3.8 2.1/8953=58, 3.0/1679=41...(14) HG2 ARG 46 - HA LYS 39 far 0 63 0 - 8.1-10.4 HB VAL 54 - HA LYS 39 far 0 88 0 - 8.8-9.7 HB3 LYS 66 - HA LYS 39 far 0 100 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 1670 from cnoeabs.peaks (1.34, 3.61, 60.29 ppm; 3.80 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + HA LYS 39 OK 100 100 100 100 2.2-2.7 3.9=95, 6606/3.0=45...(46) HB2 LEU 70 - HA LYS 39 far 0 87 0 - 4.3-5.3 HG3 LYS 40 - HA LYS 39 far 0 97 0 - 6.2-7.1 QB ALA 67 - HA LYS 39 far 0 99 0 - 7.0-7.7 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 2.6-3.6 3.9=97, 1.8/1670=75...(48) HB2 LEU 38 + HA LYS 39 OK 87 97 90 99 3.9-5.4 6607/3.0=66, ~6599=39...(20) QB ALA 71 - HA LYS 39 far 0 75 0 - 5.4-6.0 HG LEU 38 - HA LYS 39 far 0 94 0 - 5.6-5.8 HD2 LYS 40 - HA LYS 39 far 0 88 0 - 7.7-8.5 HD3 LYS 40 - HA LYS 39 far 0 87 0 - 7.9-9.0 HG13 ILE 76 - HA LYS 39 far 0 100 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 1672 from cnoeabs.peaks (1.65, 3.61, 60.29 ppm; 4.87 A increased from 4.33 A): 2 out of 8 assignments used, quality = 1.00: * HD2 LYS 39 + HA LYS 39 OK 100 100 100 100 3.8-4.7 4.9=95, 3.0/1670=84...(40) HD3 LYS 39 + HA LYS 39 OK 98 98 100 100 4.5-4.9 4.9=95, 3.0/1670=84...(59) HB2 LYS 40 - HA LYS 39 far 0 99 0 - 5.5-5.6 HB3 LYS 40 - HA LYS 39 far 0 79 0 - 6.0-6.4 HD2 LYS 73 - HA LYS 39 far 0 98 0 - 6.8-10.7 HB ILE 76 - HA LYS 39 far 0 99 0 - 7.6-8.1 HD3 LYS 73 - HA LYS 39 far 0 99 0 - 8.5-11.0 HB3 LEU 6 - HA LYS 39 far 0 100 0 - 8.5-8.9 Violated in 0 structures by 0.00 A. Peak 1673 from cnoeabs.peaks (1.64, 3.61, 60.29 ppm; 4.87 A increased from 4.33 A): 2 out of 7 assignments used, quality = 1.00: * HD3 LYS 39 + HA LYS 39 OK 100 100 100 100 4.5-4.9 4.9=95, 3.0/1670=84...(59) HD2 LYS 39 + HA LYS 39 OK 98 98 100 100 3.8-4.7 4.9=95, 3.0/1670=84...(40) HB2 LYS 40 - HA LYS 39 far 0 100 0 - 5.5-5.6 HD2 LYS 73 - HA LYS 39 far 0 84 0 - 6.8-10.7 HB ILE 76 - HA LYS 39 far 0 100 0 - 7.6-8.1 HD3 LYS 73 - HA LYS 39 far 0 87 0 - 8.5-11.0 HB3 LEU 6 - HA LYS 39 far 0 100 0 - 8.5-8.9 Violated in 0 structures by 0.00 A. Peak 1676 from cnoeabs.peaks (7.63, 3.61, 60.29 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 40 + HA LYS 39 OK 100 100 100 100 3.5-3.5 3.6=100 H GLU 44 - HA LYS 39 far 0 75 0 - 7.0-7.4 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 3.3-3.6 6663=100, 6676/8953=62...(12) H LEU 70 - HA LYS 39 far 0 100 0 - 6.7-7.6 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 2.6-3.0 3.0=100 * HB2 LEU 42 + HA LYS 39 OK 99 100 100 99 2.4-2.7 1.8/1679=47, 3.1/8953=44...(16) HG3 ARG 46 - HA LYS 39 far 0 92 0 - 6.7-10.5 HG2 ARG 46 - HA LYS 39 far 0 94 0 - 8.1-10.4 HB VAL 78 - HA LYS 39 far 0 82 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 1679 from cnoeabs.peaks (1.30, 3.61, 60.29 ppm; 4.31 A increased from 4.05 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 42 + HA LYS 39 OK 100 100 100 100 3.9-4.2 1918=73, 1.8/1909=71...(11) QB ALA 67 - HA LYS 39 far 0 70 0 - 7.0-7.7 Violated in 0 structures by 0.00 A. Peak 1680 from cnoeabs.peaks (8.08, 1.80, 32.18 ppm; 3.35 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.2-2.5 6604=100, 6605/1.8=70...(19) H LYS 90 + HB2 LYS 90 OK 49 52 100 95 2.5-2.7 4.1=56, 7419/2.8=29...(12) H GLU 17 - HB2 LYS 90 far 0 79 0 - 8.1-8.9 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 2.6-3.0 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 5 assignments used, quality = 1.00: * HB3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 90 + HB2 LYS 90 OK 68 68 100 100 1.8-1.8 1.8=100 HG LEU 42 - HB2 LYS 39 far 0 70 0 - 5.8-6.5 HB3 LYS 66 - HB2 LYS 39 far 0 100 0 - 8.2-10.4 HB2 LYS 20 - HB2 LYS 90 far 0 69 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 1684 from cnoeabs.peaks (1.34, 1.80, 32.18 ppm; 3.51 A): 1 out of 9 assignments used, quality = 1.00: * HG2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 89 - HB2 LYS 90 far 0 90 0 - 4.5-4.7 HB2 LEU 70 - HB2 LYS 39 far 0 87 0 - 4.9-6.8 HG3 LYS 94 - HB2 LYS 90 far 0 54 0 - 5.2-9.2 HG2 LYS 94 - HB2 LYS 90 far 0 90 0 - 5.5-8.3 HG3 LYS 40 - HB2 LYS 39 far 0 97 0 - 6.1-7.9 QB ALA 67 - HB2 LYS 39 far 0 99 0 - 7.5-9.0 HG LEU 14 - HB2 LYS 90 far 0 90 0 - 7.9-8.7 QB ALA 25 - HB2 LYS 90 far 0 90 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 1685 from cnoeabs.peaks (1.44, 1.80, 32.18 ppm; 3.75 A): 1 out of 10 assignments used, quality = 1.00: * HG3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 38 - HB2 LYS 39 poor 19 97 20 - 3.8-5.7 HG LEU 38 - HB2 LYS 39 far 0 94 0 - 6.0-7.2 HG3 ARG 91 - HB2 LYS 90 far 0 88 0 - 6.2-6.8 HD2 LYS 40 - HB2 LYS 39 far 0 88 0 - 6.6-8.4 QB ALA 71 - HB2 LYS 39 far 0 75 0 - 6.9-8.2 HD3 LYS 40 - HB2 LYS 39 far 0 87 0 - 7.1-9.4 HG2 LYS 20 - HB2 LYS 90 far 0 84 0 - 7.7-11.5 QB ALA 22 - HB2 LYS 90 far 0 90 0 - 8.5-8.8 HG12 ILE 7 - HB2 LYS 90 far 0 83 0 - 9.8-10.5 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 12 assignments used, quality = 1.00: * HD2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-3.4 3.6=81, 1740/3.0=29...(47) HD3 LYS 39 + HB2 LYS 39 OK 34 98 35 100 3.5-4.0 3.6=81, 1.8/1737=49...(53) HB2 LYS 40 - HB2 LYS 39 far 0 99 0 - 4.3-5.9 HB3 ARG 91 - HB2 LYS 90 far 0 68 0 - 4.4-4.8 HB3 LYS 40 - HB2 LYS 39 far 0 79 0 - 4.6-6.6 HD2 LYS 94 - HB2 LYS 90 far 0 64 0 - 4.8-8.9 HG2 PRO 86 - HB2 LYS 90 far 0 50 0 - 6.6-8.3 HD2 LYS 73 - HB2 LYS 39 far 0 98 0 - 7.1-11.0 HG3 LYS 20 - HB2 LYS 90 far 0 79 0 - 7.5-10.8 HD3 LYS 20 - HB2 LYS 90 far 0 79 0 - 7.8-11.0 HD2 LYS 20 - HB2 LYS 90 far 0 75 0 - 8.6-11.0 HD3 LYS 73 - HB2 LYS 39 far 0 99 0 - 8.6-11.6 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 9 assignments used, quality = 0.98: HD2 LYS 39 + HB2 LYS 39 OK 97 98 100 100 2.3-3.4 3.6=81, 1740/3.0=30...(46) * HD3 LYS 39 + HB2 LYS 39 OK 35 100 35 100 3.5-4.0 3.6=81, 1.8/1737=49...(53) HB2 LYS 40 - HB2 LYS 39 far 0 100 0 - 4.3-5.9 HD2 LYS 94 - HB2 LYS 90 far 0 83 0 - 4.8-8.9 HD2 LYS 73 - HB2 LYS 39 far 0 84 0 - 7.1-11.0 HG3 LYS 20 - HB2 LYS 90 far 0 59 0 - 7.5-10.8 HD3 LYS 20 - HB2 LYS 90 far 0 59 0 - 7.8-11.0 HD2 LYS 20 - HB2 LYS 90 far 0 54 0 - 8.6-11.0 HD3 LYS 73 - HB2 LYS 39 far 0 87 0 - 8.6-11.6 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 2.7-4.0 4.9=72, 3.0/1686=61...(57) HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.2-3.5 4.9=72, 3.0/1686=61...(57) HE3 LYS 66 - HB2 LYS 39 far 0 77 0 - 7.7-12.9 HE2 LYS 66 - HB2 LYS 39 far 0 87 0 - 8.0-12.9 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 2.2-3.5 4.9=72, 3.0/1686=61...(57) HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.7-4.0 4.9=72, 3.0/1686=61...(57) HE3 LYS 94 - HB2 LYS 90 far 0 58 0 - 6.2-10.0 HE2 LYS 20 - HB2 LYS 90 far 0 56 0 - 6.8-12.5 HE3 LYS 66 - HB2 LYS 39 far 0 87 0 - 7.7-12.9 HE2 LYS 66 - HB2 LYS 39 far 0 94 0 - 8.0-12.9 HE3 LYS 20 - HB2 LYS 90 far 0 54 0 - 8.1-12.1 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 2.8-3.8 6620=100, 6621/1.8=69...(11) H GLU 44 - HB2 LYS 39 far 0 75 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 1691 from cnoeabs.peaks (8.08, 1.86, 32.18 ppm; 3.19 A): 2 out of 13 assignments used, quality = 1.00: * H LYS 39 + HB3 LYS 39 OK 99 100 100 99 2.5-2.9 6605=85, 6604/1.8=67...(14) H LYS 13 + HB3 LYS 12 OK 89 89 100 99 2.8-3.2 6165=98, 6163/6152=43...(9) H LYS 13 - HB2 LYS 12 far 9 90 10 - 3.4-3.7 H LYS 90 - HB3 LYS 90 far 0 31 0 - 3.6-3.6 H ILE 15 - HB2 LYS 12 far 0 89 0 - 5.0-5.4 H ILE 15 - HB3 LYS 12 far 0 89 0 - 5.4-5.8 H GLU 17 - HB2 LYS 20 far 0 54 0 - 6.1-7.1 H GLU 17 - HB2 LYS 12 far 0 80 0 - 6.4-7.1 H GLU 17 - HB3 LYS 12 far 0 79 0 - 7.4-8.1 H GLU 17 - HB3 LYS 90 far 0 50 0 - 8.0-8.7 H GLU 75 - HB2 LYS 68 far 0 72 0 - 9.4-10.0 H LYS 90 - HB2 LYS 20 far 0 34 0 - 9.5-10.5 H ILE 15 - HB2 LYS 20 far 0 63 0 - 9.7-11.2 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 2.4-3.0 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 24 assignments used, quality = 1.00: * HB2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 90 + HB3 LYS 90 OK 55 55 100 100 1.8-1.8 1.8=100 HB ILE 93 - HB3 LYS 90 far 0 60 0 - 4.7-5.1 HB2 LEU 42 - HB3 LYS 39 far 0 99 0 - 4.7-5.2 HB ILE 56 - HB3 LYS 68 far 0 63 0 - 5.3-5.6 HB ILE 56 - HB2 LYS 68 far 0 42 0 - 6.5-7.0 HB VAL 78 - HB3 LYS 68 far 0 90 0 - 6.7-7.4 HB2 LYS 66 - HB3 LYS 39 far 0 73 0 - 6.8-9.7 HB VAL 78 - HB2 LYS 68 far 0 64 0 - 6.8-7.9 HG3 ARG 19 - HB2 LYS 20 far 0 33 0 - 7.0-8.1 HB3 LYS 90 - HB2 LYS 20 far 0 35 0 - 7.6-9.1 HG3 ARG 19 - HB2 LYS 12 far 0 51 0 - 8.2-9.3 HB2 GLU 88 - HB3 LYS 90 far 0 57 0 - 8.2-8.4 HB2 LYS 66 - HB3 LYS 68 far 0 69 0 - 8.2-8.5 HG3 ARG 46 - HB3 LYS 39 far 0 99 0 - 8.6-12.3 HB ILE 93 - HB2 LYS 20 far 0 64 0 - 8.9-10.0 HB2 LYS 66 - HB2 LYS 68 far 0 46 0 - 8.9-9.1 HB2 LYS 90 - HB2 LYS 20 far 0 60 0 - 9.0-10.2 HB3 GLU 63 - HB3 LYS 68 far 0 88 0 - 9.2-9.8 HG3 ARG 19 - HB3 LYS 12 far 0 50 0 - 9.6-10.8 HB3 LYS 82 - HB3 LYS 68 far 0 65 0 - 9.6-10.6 HB2 GLU 104 - HB2 LYS 68 far 0 70 0 - 9.8-28.4 HG2 ARG 46 - HB3 LYS 39 far 0 82 0 - 9.9-12.1 HB2 GLU 104 - HB3 LYS 68 far 0 95 0 - 10.0-28.4 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): 3 out of 21 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 3.0-3.0 2.9=100 HG3 LYS 68 + HB2 LYS 68 OK 73 73 100 100 2.3-2.5 2.9=100 QB ALA 67 - HB3 LYS 68 far 0 97 0 - 3.8-4.0 HB2 LEU 70 - HB3 LYS 39 far 0 87 0 - 4.3-7.3 HG3 LYS 94 - HB3 LYS 90 far 0 33 0 - 4.8-8.2 QB ALA 67 - HB2 LYS 68 far 0 71 0 - 5.0-5.1 QB ALA 89 - HB3 LYS 90 far 0 60 0 - 5.1-5.2 HG2 LYS 94 - HB3 LYS 90 far 0 60 0 - 5.2-7.6 HG3 LYS 40 - HB3 LYS 39 far 0 97 0 - 6.2-8.2 QB ALA 25 - HB3 LYS 90 far 0 60 0 - 7.1-7.6 HB2 LEU 70 - HB3 LYS 68 far 0 83 0 - 7.1-7.5 HB2 LEU 70 - HB2 LYS 68 far 0 57 0 - 7.2-7.6 QB ALA 67 - HB3 LYS 39 far 0 99 0 - 7.4-9.2 HB2 LYS 82 - HB3 LYS 68 far 0 98 0 - 8.0-9.1 QB ALA 25 - HB2 LYS 20 far 0 64 0 - 8.1-9.2 QB ALA 89 - HB2 LYS 20 far 0 64 0 - 8.5-9.2 HG LEU 14 - HB3 LYS 90 far 0 60 0 - 8.7-9.5 HG LEU 14 - HB2 LYS 12 far 0 91 0 - 9.1-9.4 HG LEU 14 - HB3 LYS 12 far 0 90 0 - 9.3-9.7 HB2 LYS 82 - HB2 LYS 68 far 0 73 0 - 9.6-10.6 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 25 assignments used, quality = 1.00: * HG3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 12 + HB2 LYS 12 OK 91 91 100 100 2.4-3.0 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 2.2-3.0 3.0=100 HG LEU 64 - HB3 LYS 68 far 0 56 0 - 3.6-4.5 HB2 LEU 38 - HB3 LYS 39 far 0 97 0 - 3.9-6.3 QB ALA 71 - HB2 LYS 68 far 0 48 0 - 4.4-4.9 HG2 LYS 13 - HB3 LYS 12 far 0 88 0 - 4.5-6.0 QB ALA 71 - HB3 LYS 68 far 0 71 0 - 4.8-5.2 HG2 LYS 13 - HB2 LYS 12 far 0 88 0 - 4.8-6.5 HG LEU 64 - HB2 LYS 68 far 0 36 0 - 5.0-5.8 HG LEU 38 - HB3 LYS 39 far 0 94 0 - 6.0-7.4 QB ALA 22 - HB2 LYS 20 far 0 64 0 - 6.2-6.8 QB ALA 71 - HB3 LYS 39 far 0 75 0 - 6.5-8.3 HD2 LYS 40 - HB3 LYS 39 far 0 88 0 - 6.6-8.8 HG2 LYS 20 - HB3 LYS 90 far 0 54 0 - 6.6-10.3 HG3 ARG 91 - HB3 LYS 90 far 0 57 0 - 6.7-7.6 HD3 LYS 40 - HB3 LYS 39 far 0 87 0 - 7.0-9.8 QB ALA 22 - HB3 LYS 90 far 0 60 0 - 7.5-7.9 HG LEU 38 - HB3 LYS 68 far 0 90 0 - 7.9-8.7 HG LEU 38 - HB2 LYS 68 far 0 64 0 - 8.8-9.7 HD2 LYS 82 - HB3 LYS 68 far 0 90 0 - 8.9-10.4 HG2 LYS 20 - HB2 LYS 12 far 0 84 0 - 9.4-10.5 HG13 ILE 76 - HB3 LYS 39 far 0 100 0 - 9.6-10.9 HB2 LEU 38 - HB3 LYS 68 far 0 94 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 1697 from cnoeabs.peaks (1.65, 1.86, 32.18 ppm; 2.69 A): 7 out of 38 assignments used, quality = 1.00: HG2 LYS 68 + HB3 LYS 68 OK 93 95 100 98 2.4-2.6 2.9=83, 7111/7108=35...(31) * HD2 LYS 39 + HB3 LYS 39 OK 73 100 75 97 2.1-3.3 3.6=42, 1726/1.8=31...(39) HD3 LYS 68 + HB2 LYS 68 OK 45 73 65 95 2.5-3.7 3.5=46, 1738/1.8=11...(65) HG3 LYS 20 + HB2 LYS 20 OK 43 54 85 93 2.3-3.0 3.0=76, 893/4.0=17...(34) HD2 LYS 68 + HB3 LYS 68 OK 37 98 40 95 2.4-3.7 3.5=46, 1.8/1738=12...(57) HD3 LYS 68 + HB3 LYS 68 OK 37 98 40 95 2.3-3.7 3.5=46, 3056/1.8=13...(63) HD2 LYS 68 + HB2 LYS 68 OK 24 73 35 95 2.5-3.9 3.5=46, 1.8/3056=10...(61) HD3 LYS 20 - HB2 LYS 20 poor 16 54 30 - 2.1-3.9 HD2 LYS 20 - HB2 LYS 20 far 5 51 10 - 2.4-4.0 HG2 LYS 68 - HB2 LYS 68 far 0 69 0 - 3.0-3.0 HD3 LYS 39 - HB3 LYS 39 far 0 98 0 - 3.4-3.9 HD2 LYS 94 - HB3 LYS 90 far 0 40 0 - 4.0-7.7 HB2 LYS 40 - HB3 LYS 39 far 0 99 0 - 4.3-6.4 HB3 LYS 40 - HB3 LYS 39 far 0 79 0 - 4.5-6.9 HB3 ARG 91 - HB3 LYS 90 far 0 42 0 - 5.6-6.0 HD2 LYS 73 - HB3 LYS 39 far 0 98 0 - 6.1-11.3 HG3 LYS 20 - HB3 LYS 90 far 0 50 0 - 6.2-9.8 HG12 ILE 15 - HB2 LYS 12 far 0 49 0 - 6.4-7.5 HG12 ILE 15 - HB3 LYS 12 far 0 49 0 - 6.6-7.9 HD3 LYS 20 - HB3 LYS 90 far 0 50 0 - 6.9-10.2 HB3 ARG 79 - HB3 LYS 68 far 0 98 0 - 7.0-8.6 HD2 LYS 20 - HB2 LYS 12 far 0 76 0 - 7.7-9.3 HD3 LYS 73 - HB3 LYS 39 far 0 99 0 - 7.7-11.6 HB3 ARG 79 - HB2 LYS 68 far 0 73 0 - 7.8-9.4 HG2 PRO 86 - HB3 LYS 90 far 0 30 0 - 7.9-9.4 HD2 LYS 20 - HB3 LYS 90 far 0 47 0 - 7.9-10.2 HD3 LYS 20 - HB2 LYS 12 far 0 80 0 - 8.1-10.2 HB ILE 76 - HB2 LYS 68 far 0 70 0 - 8.3-8.8 HG3 LYS 20 - HB2 LYS 12 far 0 80 0 - 8.4-11.9 HB ILE 76 - HB3 LYS 68 far 0 96 0 - 9.0-9.6 HD2 LYS 20 - HB3 LYS 12 far 0 75 0 - 9.2-10.8 HB ILE 76 - HB3 LYS 39 far 0 99 0 - 9.4-10.9 HD3 LYS 20 - HB3 LYS 12 far 0 79 0 - 9.7-11.8 HG2 PRO 86 - HB3 LYS 12 far 0 50 0 - 9.8-11.8 HD2 LYS 73 - HB2 LYS 68 far 0 68 0 - 9.9-11.8 HG2 PRO 86 - HB2 LYS 12 far 0 51 0 - 9.9-11.5 HG3 LYS 20 - HB3 LYS 12 far 0 79 0 - 9.9-13.4 HB3 LEU 6 - HB3 LYS 39 far 0 100 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 1698 from cnoeabs.peaks (1.64, 1.86, 32.18 ppm; 2.69 A): 7 out of 31 assignments used, quality = 1.00: HG2 LYS 68 + HB3 LYS 68 OK 96 98 100 98 2.4-2.6 2.9=83, 7109/7108=35...(31) HD2 LYS 39 + HB3 LYS 39 OK 71 98 75 97 2.1-3.3 3.6=42, 1737/1.8=32...(39) HD3 LYS 68 + HB2 LYS 68 OK 43 70 65 95 2.5-3.7 3.5=46, 1738/1.8=12...(64) HD3 LYS 68 + HB3 LYS 68 OK 36 96 40 95 2.3-3.7 3.5=46, 3056/1.8=12...(62) HD2 LYS 68 + HB3 LYS 68 OK 36 95 40 95 2.4-3.7 3.5=46, 1.8/1738=12...(57) HG3 LYS 20 + HB2 LYS 20 OK 31 39 85 93 2.3-3.0 3.0=76, ~848=17, ~883=16...(34) HD2 LYS 68 + HB2 LYS 68 OK 23 70 35 95 2.5-3.9 3.5=46, 1.8/3056=10...(61) HD3 LYS 20 - HB2 LYS 20 poor 12 39 30 - 2.1-3.9 HD2 LYS 20 - HB2 LYS 20 far 4 35 10 - 2.4-4.0 HG2 LYS 68 - HB2 LYS 68 far 0 73 0 - 3.0-3.0 ! HD3 LYS 39 - HB3 LYS 39 far 0 100 0 - 3.4-3.9 HD2 LYS 94 - HB3 LYS 90 far 0 53 0 - 4.0-7.7 HB2 LYS 40 - HB3 LYS 39 far 0 100 0 - 4.3-6.4 HD2 LYS 73 - HB3 LYS 39 far 0 84 0 - 6.1-11.3 HG3 LYS 20 - HB3 LYS 90 far 0 36 0 - 6.2-9.8 HD3 LYS 20 - HB3 LYS 90 far 0 36 0 - 6.9-10.2 HB3 ARG 79 - HB3 LYS 68 far 0 94 0 - 7.0-8.6 HD2 LYS 20 - HB2 LYS 12 far 0 55 0 - 7.7-9.3 HD3 LYS 73 - HB3 LYS 39 far 0 87 0 - 7.7-11.6 HB3 ARG 79 - HB2 LYS 68 far 0 68 0 - 7.8-9.4 HD2 LYS 20 - HB3 LYS 90 far 0 33 0 - 7.9-10.2 HD3 LYS 20 - HB2 LYS 12 far 0 60 0 - 8.1-10.2 HB ILE 76 - HB2 LYS 68 far 0 73 0 - 8.3-8.8 HG3 LYS 20 - HB2 LYS 12 far 0 60 0 - 8.4-11.9 HB ILE 76 - HB3 LYS 68 far 0 98 0 - 9.0-9.6 HD2 LYS 20 - HB3 LYS 12 far 0 54 0 - 9.2-10.8 HB ILE 76 - HB3 LYS 39 far 0 100 0 - 9.4-10.9 HD3 LYS 20 - HB3 LYS 12 far 0 59 0 - 9.7-11.8 HD2 LYS 73 - HB2 LYS 68 far 0 55 0 - 9.9-11.8 HG3 LYS 20 - HB3 LYS 12 far 0 59 0 - 9.9-13.4 HB3 LEU 6 - HB3 LYS 39 far 0 100 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 1699 from cnoeabs.peaks (2.87, 1.86, 32.18 ppm; 3.91 A): 5 out of 12 assignments used, quality = 1.00: HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.0-3.4 4.9=50, 1.8/1749=32...(41) * HE2 LYS 39 + HB3 LYS 39 OK 85 100 85 100 2.0-4.3 4.9=50, 1.8/1749=37...(42) HE3 LYS 68 + HB3 LYS 68 OK 39 60 65 100 2.0-4.5 5.0=48, 3.6/3014=22...(76) HE2 LYS 68 + HB3 LYS 68 OK 33 56 60 100 2.3-4.9 5.0=48, 3.6/3014=22...(76) HE3 LYS 68 + HB2 LYS 68 OK 23 39 60 99 2.3-4.6 5.0=48, 3.0/3056=14...(80) HE2 LYS 68 - HB2 LYS 68 poor 20 36 55 99 2.0-4.9 5.0=48, 3.0/3056=14...(80) HE2 LYS 66 - HB3 LYS 39 far 0 87 0 - 7.0-13.5 HE3 LYS 66 - HB3 LYS 39 far 0 77 0 - 7.3-12.6 HE3 LYS 66 - HB3 LYS 68 far 0 73 0 - 7.9-11.4 HE3 LYS 66 - HB2 LYS 68 far 0 49 0 - 8.2-11.9 HE2 LYS 66 - HB3 LYS 68 far 0 83 0 - 9.1-11.1 HE2 LYS 66 - HB2 LYS 68 far 0 57 0 - 9.3-11.5 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 21 assignments used, quality = 1.00: * HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.0-3.4 4.9=50, 1.8/1749=32...(41) HE2 LYS 39 + HB3 LYS 39 OK 85 100 85 100 2.0-4.3 4.9=50, 1.8/1749=37...(42) HE3 LYS 68 + HB3 LYS 68 OK 46 71 65 100 2.0-4.5 5.0=48, 3.6/3014=22...(76) HE2 LYS 68 + HB3 LYS 68 OK 40 67 60 100 2.3-4.9 5.0=48, 3.6/3014=22...(76) HE3 LYS 68 + HB2 LYS 68 OK 29 48 60 99 2.3-4.6 5.0=48, 3.0/3056=14...(80) HE2 LYS 20 + HB2 LYS 20 OK 27 37 75 98 2.3-5.5 4.7=57, ~929=13, ~940=13...(63) HE2 LYS 68 + HB2 LYS 68 OK 25 45 55 100 2.0-4.9 5.0=48, 3.0/3056=14...(80) HE3 LYS 20 + HB2 LYS 20 OK 24 35 70 99 2.0-4.7 4.7=57, 3.6/418=13...(79) HE3 LYS 94 - HB3 LYS 90 far 0 35 0 - 6.1-9.0 HE2 LYS 20 - HB3 LYS 90 far 0 34 0 - 6.2-11.7 HE2 LYS 20 - HB2 LYS 12 far 0 56 0 - 6.8-11.1 HE2 LYS 66 - HB3 LYS 39 far 0 94 0 - 7.0-13.5 HE3 LYS 66 - HB3 LYS 39 far 0 87 0 - 7.3-12.6 HE3 LYS 20 - HB3 LYS 90 far 0 33 0 - 7.3-11.2 HE3 LYS 66 - HB3 LYS 68 far 0 83 0 - 7.9-11.4 HE3 LYS 20 - HB2 LYS 12 far 0 55 0 - 7.9-12.2 HE3 LYS 66 - HB2 LYS 68 far 0 57 0 - 8.2-11.9 HE2 LYS 20 - HB3 LYS 12 far 0 56 0 - 8.6-12.7 HE2 LYS 66 - HB3 LYS 68 far 0 90 0 - 9.1-11.1 HE2 LYS 66 - HB2 LYS 68 far 0 64 0 - 9.3-11.5 HE3 LYS 20 - HB3 LYS 12 far 0 54 0 - 9.5-13.7 Violated in 0 structures by 0.00 A. Peak 1701 from cnoeabs.peaks (7.63, 1.86, 32.18 ppm; 4.34 A increased from 3.86 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 40 + HB3 LYS 39 OK 100 100 100 100 2.9-4.1 6621=100, 6620/1.8=90...(11) H GLU 44 - HB3 LYS 39 far 0 75 0 - 8.0-9.5 HD22 ASN 10 - HB3 LYS 12 far 0 69 0 - 8.0-11.0 HD22 ASN 10 - HB2 LYS 12 far 0 70 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 1702 from cnoeabs.peaks (8.08, 1.34, 25.61 ppm; 4.79 A increased from 4.50 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 39 + HG2 LYS 39 OK 100 100 100 100 4.2-4.5 6606=100, 6604/3.0=90...(16) H GLU 75 - HG2 LYS 39 far 0 100 0 - 8.4-9.4 H GLU 75 - HG3 LYS 68 far 0 66 0 - 9.9-10.5 Violated in 0 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 2.2-2.7 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 8 assignments used, quality = 1.00: * HB2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 42 + HG2 LYS 39 OK 44 99 50 89 3.6-4.3 3.1/10570=48...(10) HG3 ARG 46 - HG2 LYS 39 far 0 99 0 - 6.6-10.4 HB2 LYS 66 - HG3 LYS 68 far 0 42 0 - 7.4-7.8 HG2 ARG 46 - HG2 LYS 39 far 0 82 0 - 8.0-10.6 HB ILE 56 - HG3 LYS 68 far 0 38 0 - 8.0-8.3 HB2 LYS 66 - HG2 LYS 39 far 0 73 0 - 8.3-10.5 HB VAL 78 - HG3 LYS 68 far 0 58 0 - 8.8-9.8 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 7 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 3.0-3.0 2.9=100 HB2 LYS 68 + HG3 LYS 68 OK 52 52 100 100 2.3-2.5 2.9=100 HG LEU 42 - HG2 LYS 39 far 0 70 0 - 5.6-6.0 HB3 LYS 66 - HG3 LYS 68 far 0 67 0 - 7.2-7.6 HG2 ARG 46 - HG2 LYS 39 far 0 63 0 - 8.0-10.6 HB3 LYS 66 - HG2 LYS 39 far 0 100 0 - 9.8-11.7 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 10 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 0 33 0 - 4.9-5.3 HB2 LEU 38 - HG2 LYS 39 far 0 97 0 - 5.3-7.6 QB ALA 71 - HG3 LYS 68 far 0 43 0 - 5.4-5.9 QB ALA 71 - HG2 LYS 39 far 0 75 0 - 6.1-7.1 HG LEU 38 - HG2 LYS 39 far 0 94 0 - 7.1-8.1 HG13 ILE 76 - HG2 LYS 39 far 0 100 0 - 7.9-8.8 HD2 LYS 40 - HG2 LYS 39 far 0 88 0 - 8.5-9.5 HD3 LYS 40 - HG2 LYS 39 far 0 87 0 - 8.8-10.4 HG LEU 38 - HG3 LYS 68 far 0 58 0 - 8.9-9.7 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 14 assignments used, quality = 1.00: HD3 LYS 39 + HG2 LYS 39 OK 96 98 100 99 2.3-2.7 3.0=63, 1719/1.8=40...(67) HG2 LYS 68 + HG3 LYS 68 OK 63 63 100 100 1.8-1.8 1.8=100 * HD2 LYS 39 + HG2 LYS 39 OK 49 100 50 98 2.4-3.0 3.0=63, 1740/1.8=26...(42) HD3 LYS 68 + HG3 LYS 68 OK 43 67 70 92 2.4-3.0 3.0=63, 1.8/3048=11...(51) HD2 LYS 68 + HG3 LYS 68 OK 37 67 60 93 2.3-3.0 3.0=63, 1.8/3048=12...(50) HD2 LYS 73 - HG2 LYS 39 far 0 98 0 - 4.8-9.4 HB3 LYS 40 - HG2 LYS 39 far 0 79 0 - 6.1-7.7 HB2 LYS 40 - HG2 LYS 39 far 0 99 0 - 6.3-7.2 HD3 LYS 73 - HG2 LYS 39 far 0 99 0 - 6.6-10.1 HB ILE 76 - HG2 LYS 39 far 0 99 0 - 8.1-8.8 HD2 LYS 73 - HG3 LYS 68 far 0 62 0 - 8.5-11.3 HD3 LYS 73 - HG3 LYS 68 far 0 64 0 - 8.6-11.4 HB ILE 76 - HG3 LYS 68 far 0 64 0 - 9.7-10.4 HB3 ARG 79 - HG3 LYS 68 far 0 67 0 - 9.9-11.5 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 13 assignments used, quality = 1.00: * HD3 LYS 39 + HG2 LYS 39 OK 99 100 100 99 2.3-2.7 3.0=63, 1720/1.8=41...(67) HG2 LYS 68 + HG3 LYS 68 OK 67 67 100 100 1.8-1.8 1.8=100 HD2 LYS 39 + HG2 LYS 39 OK 48 98 50 98 2.4-3.0 3.0=63, 1740/1.8=26...(43) HD3 LYS 68 + HG3 LYS 68 OK 42 64 70 92 2.4-3.0 3.0=63, 1.8/3048=11...(51) HD2 LYS 68 + HG3 LYS 68 OK 35 64 60 92 2.3-3.0 3.0=63, 1.8/3048=12...(50) HD2 LYS 73 - HG2 LYS 39 far 0 84 0 - 4.8-9.4 HB2 LYS 40 - HG2 LYS 39 far 0 100 0 - 6.3-7.2 HD3 LYS 73 - HG2 LYS 39 far 0 87 0 - 6.6-10.1 HB ILE 76 - HG2 LYS 39 far 0 100 0 - 8.1-8.8 HD2 LYS 73 - HG3 LYS 68 far 0 49 0 - 8.5-11.3 HD3 LYS 73 - HG3 LYS 68 far 0 52 0 - 8.6-11.4 HB ILE 76 - HG3 LYS 68 far 0 67 0 - 9.7-10.4 HB3 ARG 79 - HG3 LYS 68 far 0 62 0 - 9.9-11.5 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 8 assignments used, quality = 1.00: HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.6-3.8 3.5=100 * HE2 LYS 39 + HG2 LYS 39 OK 80 100 80 100 2.2-4.2 3.5=100 HE3 LYS 68 + HG3 LYS 68 OK 35 35 100 100 2.3-3.7 3.6=100 HE2 LYS 68 + HG3 LYS 68 OK 31 33 95 100 2.4-4.1 3.6=100 HE3 LYS 66 - HG3 LYS 68 far 0 44 0 - 6.0-9.8 HE2 LYS 66 - HG3 LYS 68 far 0 52 0 - 7.0-9.4 HE2 LYS 66 - HG2 LYS 39 far 0 87 0 - 8.5-13.1 HE3 LYS 66 - HG2 LYS 39 far 0 77 0 - 8.7-12.9 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 8 assignments used, quality = 1.00: * HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.6-3.8 3.5=100 HE2 LYS 39 + HG2 LYS 39 OK 80 100 80 100 2.2-4.2 3.5=100 HE3 LYS 68 + HG3 LYS 68 OK 43 43 100 100 2.3-3.7 3.6=100 HE2 LYS 68 + HG3 LYS 68 OK 39 41 95 100 2.4-4.1 3.6=100 HE3 LYS 66 - HG3 LYS 68 far 0 52 0 - 6.0-9.8 HE2 LYS 66 - HG3 LYS 68 far 0 58 0 - 7.0-9.4 HE2 LYS 66 - HG2 LYS 39 far 0 94 0 - 8.5-13.1 HE3 LYS 66 - HG2 LYS 39 far 0 87 0 - 8.7-12.9 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 4.4-5.2 6620/3.0=95, 6621/3.0=90...(13) H GLU 44 - HG2 LYS 39 far 0 75 0 - 7.3-8.8 Violated in 0 structures by 0.00 A. Peak 1713 from cnoeabs.peaks (8.08, 1.44, 25.61 ppm; 4.56 A increased from 4.05 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + HG3 LYS 39 OK 100 100 100 100 4.2-4.6 6604/3.0=86, 6605/3.0=85...(17) H GLU 75 - HG3 LYS 39 far 0 100 0 - 8.7-11.1 Violated in 1 structures by 0.00 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 2.6-3.6 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): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 42 - HG3 LYS 39 far 10 99 10 - 3.7-5.0 HG3 ARG 46 - HG3 LYS 39 far 0 99 0 - 6.9-11.1 HB2 LYS 66 - HG3 LYS 39 far 0 73 0 - 7.6-11.0 HG2 ARG 46 - HG3 LYS 39 far 0 82 0 - 8.6-10.9 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 2.3-3.0 3.0=100 HG LEU 42 - HG3 LYS 39 far 0 70 0 - 5.7-6.9 HG2 ARG 46 - HG3 LYS 39 far 0 63 0 - 8.6-10.9 HB3 LYS 66 - HG3 LYS 39 far 0 100 0 - 8.9-12.3 Violated in 0 structures by 0.00 A. Peak 1717 from cnoeabs.peaks (1.34, 1.44, 25.61 ppm; 2.62 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 70 - HG3 LYS 39 far 0 87 0 - 4.2-7.9 HG3 LYS 40 - HG3 LYS 39 far 0 97 0 - 6.8-9.2 QB ALA 67 - HG3 LYS 39 far 0 99 0 - 7.9-10.4 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 7 assignments used, quality = 0.98: HD3 LYS 39 + HG3 LYS 39 OK 96 98 100 99 2.3-2.7 3.0=66, 1.8/1740=27...(64) * HD2 LYS 39 + HG3 LYS 39 OK 49 100 50 98 2.5-3.0 3.0=66, 1.8/1740=29...(45) HB3 LYS 40 - HG3 LYS 39 far 0 79 0 - 4.9-7.4 HB2 LYS 40 - HG3 LYS 39 far 0 99 0 - 5.2-7.5 HD2 LYS 73 - HG3 LYS 39 far 0 98 0 - 5.6-10.3 HD3 LYS 73 - HG3 LYS 39 far 0 99 0 - 6.6-11.1 HB ILE 76 - HG3 LYS 39 far 0 99 0 - 8.6-10.5 Violated in 0 structures by 0.00 A. Peak 1720 from cnoeabs.peaks (1.64, 1.44, 25.61 ppm; 2.58 A): 2 out of 6 assignments used, quality = 0.99: * HD3 LYS 39 + HG3 LYS 39 OK 99 100 100 99 2.3-2.7 3.0=66, 1.8/1740=27...(64) HD2 LYS 39 + HG3 LYS 39 OK 48 98 50 98 2.5-3.0 3.0=66, 1.8/1740=29...(45) HB2 LYS 40 - HG3 LYS 39 far 0 100 0 - 5.2-7.5 HD2 LYS 73 - HG3 LYS 39 far 0 84 0 - 5.6-10.3 HD3 LYS 73 - HG3 LYS 39 far 0 87 0 - 6.6-11.1 HB ILE 76 - HG3 LYS 39 far 0 100 0 - 8.6-10.5 Violated in 0 structures by 0.00 A. Peak 1721 from cnoeabs.peaks (2.87, 1.44, 25.61 ppm; 3.92 A increased from 3.69 A): 2 out of 4 assignments used, quality = 1.00: HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.3-4.2 3.5=100 * HE2 LYS 39 + HG3 LYS 39 OK 95 100 95 100 2.4-4.2 3.5=100 HE3 LYS 66 - HG3 LYS 39 far 0 77 0 - 7.5-14.3 HE2 LYS 66 - HG3 LYS 39 far 0 87 0 - 8.2-14.2 Violated in 0 structures by 0.00 A. Peak 1722 from cnoeabs.peaks (2.88, 1.44, 25.61 ppm; 3.92 A increased from 3.69 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.3-4.2 3.5=100 HE2 LYS 39 + HG3 LYS 39 OK 95 100 95 100 2.4-4.2 3.5=100 HE3 LYS 66 - HG3 LYS 39 far 0 87 0 - 7.5-14.3 HE2 LYS 66 - HG3 LYS 39 far 0 94 0 - 8.2-14.2 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 3.8-5.3 6620/3.0=96, 6621/3.0=91...(14) H GLU 44 - HG3 LYS 39 far 0 75 0 - 7.1-9.3 Violated in 0 structures by 0.00 A. Peak 1724 from cnoeabs.peaks (8.08, 1.65, 29.36 ppm; 5.06 A increased from 4.26 A): 4 out of 14 assignments used, quality = 1.00: * H LYS 39 + HD2 LYS 39 OK 100 100 100 100 4.5-5.0 6604/3.6=87, 6605/3.6=86...(18) H GLU 17 + HD2 LYS 20 OK 52 57 100 91 3.4-5.0 6250/12058=59...(19) H GLU 17 + HD3 LYS 20 OK 36 63 80 72 4.1-6.1 ~916=17, ~905=17...(14) H LYS 90 + HB3 ARG 91 OK 27 32 100 85 4.8-5.0 4.6/7443=55, 7453/4.3=41...(5) H LYS 39 - HD3 LYS 39 far 0 95 0 - 5.7-6.0 H LYS 90 - HD2 LYS 94 far 0 29 0 - 6.6-10.3 H ILE 15 - HD2 LYS 20 far 0 66 0 - 7.4-8.6 H LYS 90 - HD3 LYS 20 far 0 40 0 - 8.0-10.9 H ILE 15 - HD3 LYS 20 far 0 72 0 - 8.2-10.0 H LYS 90 - HD2 LYS 20 far 0 36 0 - 8.5-10.9 H LYS 13 - HD2 LYS 20 far 0 66 0 - 8.6-9.8 H GLU 75 - HD3 LYS 39 far 0 93 0 - 8.8-10.4 H GLU 75 - HD2 LYS 39 far 0 100 0 - 9.0-11.7 H LYS 13 - HD3 LYS 20 far 0 73 0 - 9.2-11.1 Violated in 0 structures by 0.00 A. Peak 1725 from cnoeabs.peaks (3.61, 1.65, 29.36 ppm; 4.86 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 39 + HD2 LYS 39 OK 100 100 100 100 3.8-4.7 4.9=95, 1670/3.0=84...(40) HA LYS 39 + HD3 LYS 39 OK 95 95 100 100 4.5-4.9 4.9=95, 1670/3.0=84...(59) Violated in 0 structures by 0.00 A. Peak 1726 from cnoeabs.peaks (1.80, 1.65, 29.36 ppm; 3.42 A increased from 3.21 A): 2 out of 42 assignments used, quality = 1.00: * HB2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.4 3.6=86, ~1720=23...(43) HB2 LYS 39 + HD3 LYS 39 OK 43 95 45 100 3.5-4.0 3.6=86, 1686/1.8=54...(51) HG2 ARG 46 - HD2 LYS 47 far 0 48 0 - 3.9-9.4 HB3 LYS 90 - HD2 LYS 94 far 0 31 0 - 4.0-7.7 HB2 LYS 90 - HB3 ARG 91 far 0 56 0 - 4.4-4.8 HB2 LYS 90 - HD2 LYS 94 far 0 52 0 - 4.8-8.9 HG2 ARG 46 - HD3 LYS 47 far 0 46 0 - 4.9-9.2 HG3 ARG 46 - HD2 LYS 47 far 0 63 0 - 5.2-9.5 HB2 GLU 88 - HB3 ARG 91 far 0 58 0 - 5.2-5.7 HG3 ARG 19 - HD3 LYS 20 far 0 39 0 - 5.4-9.0 HB ILE 93 - HD2 LYS 94 far 0 57 0 - 5.6-7.2 HB2 LEU 42 - HD2 LYS 39 far 0 99 0 - 5.6-6.6 HB3 LYS 90 - HB3 ARG 91 far 0 33 0 - 5.6-6.0 HG3 ARG 19 - HD2 LYS 20 far 0 35 0 - 5.8-8.1 HB2 LEU 42 - HD3 LYS 39 far 0 92 0 - 5.9-6.4 HG3 ARG 46 - HD3 LYS 47 far 0 60 0 - 6.3-9.2 HB ILE 56 - HD3 LYS 68 far 0 60 0 - 6.8-8.9 HB3 LYS 90 - HD3 LYS 20 far 0 42 0 - 6.9-10.2 HB ILE 93 - HB3 ARG 91 far 0 60 0 - 6.9-7.3 HB ILE 56 - HD2 LYS 68 far 0 60 0 - 7.2-9.1 HB2 LYS 66 - HD2 LYS 39 far 0 73 0 - 7.6-9.9 HB2 LYS 90 - HD3 LYS 20 far 0 69 0 - 7.8-11.0 HB3 LYS 90 - HD2 LYS 20 far 0 37 0 - 7.9-10.2 HG3 ARG 46 - HD3 LYS 39 far 0 91 0 - 8.1-11.8 HB2 LYS 66 - HD2 LYS 68 far 0 66 0 - 8.4-9.8 HG3 ARG 46 - HD2 LYS 39 far 0 99 0 - 8.4-13.0 HB3 LYS 82 - HD3 LYS 68 far 0 62 0 - 8.5-11.1 HB3 GLU 63 - HD2 LYS 68 far 0 84 0 - 8.6-11.4 HB2 LYS 90 - HD2 LYS 20 far 0 62 0 - 8.6-11.0 HB3 LYS 82 - HD2 LYS 68 far 0 62 0 - 8.6-11.5 HB2 LYS 66 - HD3 LYS 68 far 0 66 0 - 8.6-9.8 HB VAL 78 - HD3 LYS 68 far 0 86 0 - 8.9-11.0 HB3 GLU 63 - HD3 LYS 68 far 0 84 0 - 8.9-11.3 HB VAL 78 - HD2 LYS 68 far 0 87 0 - 9.1-11.1 HB ILE 93 - HD3 LYS 20 far 0 74 0 - 9.2-11.6 HB2 LEU 42 - HD3 LYS 47 far 0 61 0 - 9.2-11.0 HB2 LYS 66 - HD3 LYS 39 far 0 65 0 - 9.4-10.8 HG2 ARG 46 - HD3 LYS 39 far 0 73 0 - 9.5-11.2 HB2 LEU 42 - HD2 LYS 47 far 0 64 0 - 9.7-11.6 HB ILE 93 - HD2 LYS 20 far 0 67 0 - 9.7-11.9 HG2 ARG 46 - HD2 LYS 39 far 0 82 0 - 9.8-12.5 HB3 LEU 57 - HB3 ARG 91 far 0 44 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 1727 from cnoeabs.peaks (1.86, 1.65, 29.36 ppm; 3.14 A increased from 2.95 A): 6 out of 30 assignments used, quality = 1.00: * HB3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.1-3.3 3.6=67, 1.8/1686=47...(37) HB3 LYS 68 + HD3 LYS 68 OK 70 93 75 99 2.3-3.7 3.5=72, 3014/3.0=19...(81) HB2 LYS 68 + HD3 LYS 68 OK 59 79 75 99 2.5-3.7 3.5=72, ~2993=14...(82) HB3 LYS 68 + HD2 LYS 68 OK 56 93 60 99 2.4-3.7 3.5=72, 3014/3.0=19...(80) HB2 LYS 68 + HD2 LYS 68 OK 47 79 60 99 2.5-3.9 3.5=72, 3002/1.8=15...(82) HB2 LYS 20 + HD3 LYS 20 OK 37 54 70 97 2.1-3.9 3.5=70, ~848=15, ~883=15...(46) HB3 LYS 39 - HD3 LYS 39 far 9 95 10 - 3.4-3.9 HB2 LYS 20 - HD2 LYS 20 far 7 49 15 - 2.4-4.0 HB2 ARG 19 - HD3 LYS 20 far 0 50 0 - 3.5-7.3 HG2 ARG 46 - HD2 LYS 47 far 0 35 0 - 3.9-9.4 HB3 LYS 90 - HD2 LYS 94 far 0 39 0 - 4.0-7.7 HB2 ARG 19 - HD2 LYS 20 far 0 45 0 - 4.5-6.7 HG2 ARG 46 - HD3 LYS 47 far 0 33 0 - 4.9-9.2 HB3 LYS 90 - HB3 ARG 91 far 0 42 0 - 5.6-6.0 HB3 LYS 90 - HD3 LYS 20 far 0 53 0 - 6.9-10.2 HG LEU 42 - HD2 LYS 39 far 0 70 0 - 7.1-8.3 HB3 LYS 66 - HD2 LYS 68 far 0 96 0 - 7.6-9.3 HB2 LYS 12 - HD2 LYS 20 far 0 68 0 - 7.7-9.3 HG LEU 42 - HD3 LYS 39 far 0 61 0 - 7.8-8.3 HB3 LYS 90 - HD2 LYS 20 far 0 48 0 - 7.9-10.2 HB3 LYS 66 - HD3 LYS 68 far 0 95 0 - 8.0-9.4 HB2 LYS 12 - HD3 LYS 20 far 0 75 0 - 8.1-10.2 HB3 LYS 12 - HD2 LYS 20 far 0 67 0 - 9.2-10.8 HB3 LYS 66 - HD2 LYS 39 far 0 100 0 - 9.2-11.3 HB3 LEU 14 - HD2 LYS 20 far 0 32 0 - 9.4-10.8 HG2 ARG 46 - HD3 LYS 39 far 0 55 0 - 9.5-11.2 HB3 LYS 12 - HD3 LYS 20 far 0 74 0 - 9.7-11.8 HG2 ARG 46 - HD2 LYS 39 far 0 63 0 - 9.8-12.5 HB3 LEU 14 - HD3 LYS 20 far 0 36 0 - 9.8-12.0 HB3 LEU 57 - HB3 ARG 91 far 0 30 0 - 9.9-10.5 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 34 assignments used, quality = 1.00: HG2 LYS 39 + HD3 LYS 39 OK 94 95 100 100 2.3-2.7 3.0=76, 1.8/1719=45...(69) HG3 LYS 68 + HD3 LYS 68 OK 69 95 75 97 2.4-3.0 3.0=76, 3038/1.8=12...(62) HG3 LYS 68 + HD2 LYS 68 OK 60 95 65 97 2.3-3.0 3.0=76, 3038/1.8=14...(62) * HG2 LYS 39 + HD2 LYS 39 OK 55 100 55 99 2.4-3.0 3.0=76, 1.8/1740=26...(46) HG2 LYS 94 + HD2 LYS 94 OK 36 56 70 91 2.5-3.0 3.0=75, 2.9/4191=11...(29) HG3 LYS 94 + HD2 LYS 94 OK 23 31 85 90 2.3-3.0 3.0=75, 2.9/4191=11...(29) QB ALA 67 - HD3 LYS 68 far 0 94 0 - 4.7-6.3 HG2 LYS 94 - HB3 ARG 91 far 0 60 0 - 4.7-7.1 HG3 LYS 94 - HB3 ARG 91 far 0 33 0 - 4.7-8.5 QB ALA 25 - HD2 LYS 94 far 0 56 0 - 4.8-7.1 QB ALA 67 - HD2 LYS 68 far 0 94 0 - 4.8-6.4 HB2 LEU 70 - HD2 LYS 39 far 0 87 0 - 5.0-7.8 QB ALA 89 - HB3 ARG 91 far 0 60 0 - 5.7-6.0 HB2 LEU 70 - HD3 LYS 39 far 0 78 0 - 6.3-7.7 HB2 LYS 82 - HD3 LYS 68 far 0 95 0 - 6.9-9.5 HB2 LYS 82 - HD2 LYS 68 far 0 95 0 - 7.1-9.9 QB ALA 89 - HD3 LYS 20 far 0 74 0 - 7.2-9.5 QB ALA 89 - HD2 LYS 20 far 0 67 0 - 7.2-9.3 QB ALA 89 - HD2 LYS 94 far 0 56 0 - 7.7-10.5 HG3 LYS 40 - HD2 LYS 39 far 0 97 0 - 7.9-9.8 QB ALA 67 - HD2 LYS 39 far 0 99 0 - 8.5-10.4 HG LEU 14 - HD2 LYS 20 far 0 67 0 - 8.6-10.5 HG3 LYS 40 - HD3 LYS 39 far 0 89 0 - 8.7-9.9 HB2 LEU 70 - HD3 LYS 68 far 0 79 0 - 8.8-9.4 HB2 LEU 70 - HD2 LYS 68 far 0 79 0 - 8.9-9.4 HG LEU 14 - HD3 LYS 20 far 0 74 0 - 8.9-11.4 HG3 LYS 40 - HD2 LYS 47 far 0 61 0 - 9.1-12.6 QB ALA 25 - HD3 LYS 20 far 0 74 0 - 9.2-11.3 QB ALA 25 - HB3 ARG 91 far 0 60 0 - 9.4-10.0 HB3 LEU 2 - HD3 LYS 47 far 0 60 0 - 9.5-12.3 HG3 LYS 40 - HD3 LYS 47 far 0 58 0 - 9.6-11.7 QB ALA 67 - HD3 LYS 39 far 0 93 0 - 9.7-10.8 HG LEU 14 - HB3 ARG 91 far 0 60 0 - 9.8-10.5 QB ALA 25 - HD2 LYS 20 far 0 67 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 1729 from cnoeabs.peaks (1.44, 1.65, 29.36 ppm; 2.69 A): 5 out of 38 assignments used, quality = 1.00: HG3 LYS 39 + HD3 LYS 39 OK 93 95 100 99 2.3-2.7 3.0=75, 1.8/1708=23...(56) HG2 LYS 20 + HD3 LYS 20 OK 64 67 100 95 2.4-2.9 2.8=84, 883/5.3=12...(44) * HG3 LYS 39 + HD2 LYS 39 OK 55 100 55 99 2.5-3.0 3.0=75, 1720/1.8=45...(45) HG2 LYS 20 + HD2 LYS 20 OK 47 61 80 96 2.2-3.0 2.8=84, 883/5.3=12...(55) HG3 ARG 91 + HB3 ARG 91 OK 40 58 75 93 2.3-3.0 2.8=84, ~4016=15...(9) HG LEU 64 - HD2 LYS 68 poor 18 53 35 - 2.2-5.1 HG LEU 64 - HD3 LYS 68 far 5 52 10 - 2.3-5.0 HG3 ARG 91 - HD2 LYS 94 far 0 54 0 - 4.6-8.4 HB2 LEU 38 - HD2 LYS 39 far 0 97 0 - 5.5-8.2 QB ALA 22 - HD3 LYS 20 far 0 74 0 - 5.8-8.6 QB ALA 71 - HD2 LYS 68 far 0 68 0 - 6.5-7.5 QB ALA 71 - HD3 LYS 68 far 0 67 0 - 6.6-7.7 QB ALA 22 - HD2 LYS 20 far 0 67 0 - 6.8-8.7 QB ALA 71 - HD2 LYS 39 far 0 75 0 - 6.9-9.1 HB2 LEU 38 - HD3 LYS 39 far 0 89 0 - 7.0-9.1 HG LEU 38 - HD2 LYS 39 far 0 94 0 - 7.4-9.1 HD2 LYS 82 - HD3 LYS 68 far 0 86 0 - 7.6-10.5 QB ALA 71 - HD3 LYS 39 far 0 66 0 - 7.7-8.8 HD2 LYS 82 - HD2 LYS 68 far 0 87 0 - 7.9-10.6 HG13 ILE 76 - HD2 LYS 47 far 0 66 0 - 7.9-11.4 HG2 LYS 13 - HD2 LYS 20 far 0 65 0 - 7.9-10.6 HD2 LYS 40 - HD2 LYS 39 far 0 88 0 - 7.9-10.4 HG2 LYS 13 - HD3 LYS 20 far 0 71 0 - 8.5-12.2 HD3 LYS 40 - HD2 LYS 39 far 0 87 0 - 8.5-11.4 QB ALA 22 - HD2 LYS 94 far 0 56 0 - 8.5-9.9 HG13 ILE 76 - HD3 LYS 47 far 0 63 0 - 8.7-11.2 HG13 ILE 52 - HD3 LYS 47 far 0 57 0 - 8.7-11.3 HG LEU 38 - HD3 LYS 39 far 0 85 0 - 8.9-9.9 HD2 LYS 40 - HD3 LYS 39 far 0 79 0 - 8.9-10.8 HG2 LYS 12 - HD2 LYS 20 far 0 67 0 - 8.9-11.4 HG2 LYS 12 - HD3 LYS 20 far 0 74 0 - 9.0-13.0 HG LEU 29 - HD3 LYS 20 far 0 74 0 - 9.3-12.8 HG13 ILE 76 - HD3 LYS 39 far 0 94 0 - 9.3-10.7 HG13 ILE 76 - HD2 LYS 39 far 0 100 0 - 9.4-11.7 HD3 LYS 40 - HD3 LYS 39 far 0 78 0 - 9.6-11.3 HG LEU 38 - HD2 LYS 68 far 0 87 0 - 9.8-11.4 HG LEU 38 - HD3 LYS 68 far 0 86 0 - 9.8-11.2 HB2 LEU 27 - HD2 LYS 94 far 0 51 0 - 10.0-12.4 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 18 assignments used, quality = 1.00: * HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=97, 1.8/1763=17...(32) HE3 LYS 39 + HD2 LYS 39 OK 99 100 100 100 2.2-3.0 3.0=97, 1.8/1752=17...(32) HE2 LYS 39 + HD3 LYS 39 OK 94 95 100 100 2.3-3.0 3.0=97, 3.5/1719=28...(32) HE3 LYS 39 + HD3 LYS 39 OK 93 94 100 100 2.6-3.0 3.0=97, 3.5/1719=28...(31) HE3 LYS 68 + HD2 LYS 68 OK 56 56 100 99 2.3-3.0 3.0=96, 1.8/3080=9...(61) HE3 LYS 68 + HD3 LYS 68 OK 56 56 100 99 2.4-3.0 3.0=96, 1.8/3080=9...(60) HE2 LYS 68 + HD2 LYS 68 OK 52 53 100 99 2.2-3.0 3.0=96, 1.8/3080=9...(67) HE2 LYS 68 + HD3 LYS 68 OK 52 52 100 99 2.2-3.0 3.0=96, 1.8/3080=9...(66) HE3 LYS 66 - HD2 LYS 68 far 0 69 0 - 6.5-11.8 HE3 LYS 66 - HD3 LYS 68 far 0 69 0 - 6.8-11.8 HE2 LYS 66 - HD2 LYS 39 far 0 87 0 - 7.1-12.9 HE2 LYS 66 - HD3 LYS 68 far 0 79 0 - 7.5-11.5 HE2 LYS 66 - HD2 LYS 68 far 0 79 0 - 7.8-11.6 HE3 LYS 66 - HD2 LYS 39 far 0 77 0 - 7.9-13.4 HE2 LYS 66 - HD3 LYS 39 far 0 78 0 - 8.7-13.4 HE3 LYS 82 - HD3 LYS 68 far 0 88 0 - 8.8-12.9 HE3 LYS 82 - HD2 LYS 68 far 0 89 0 - 9.2-13.1 HE3 LYS 66 - HD3 LYS 39 far 0 68 0 - 9.3-14.1 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 24 assignments used, quality = 1.00: * HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=97, 1.8/1752=17...(33) HE2 LYS 39 + HD2 LYS 39 OK 99 100 100 100 2.3-3.0 3.0=97, 1.8/1763=17...(32) HE3 LYS 39 + HD3 LYS 39 OK 94 95 100 100 2.6-3.0 3.0=97, 3.5/1719=28...(31) HE2 LYS 39 + HD3 LYS 39 OK 93 94 100 100 2.3-3.0 3.0=97, 3.5/1719=28...(32) HE3 LYS 68 + HD2 LYS 68 OK 67 68 100 99 2.3-3.0 3.0=96, 1.8/3080=9...(64) HE3 LYS 68 + HD3 LYS 68 OK 67 67 100 99 2.4-3.0 3.0=96, 1.8/3080=9...(63) HE2 LYS 68 + HD2 LYS 68 OK 64 64 100 99 2.2-3.0 3.0=96, 1.8/3080=9...(67) HE2 LYS 68 + HD3 LYS 68 OK 63 64 100 99 2.2-3.0 3.0=96, 1.8/3080=9...(66) HE2 LYS 20 + HD3 LYS 20 OK 42 43 100 98 2.3-3.0 3.0=96, 3.6/1729=9...(34) HE3 LYS 20 + HD3 LYS 20 OK 41 42 100 99 2.2-3.0 3.0=96, 3.6/1729=9...(33) HE2 LYS 20 + HD2 LYS 20 OK 38 39 100 99 2.3-3.0 3.0=96, 2959/1.8=8...(34) HE3 LYS 20 + HD2 LYS 20 OK 37 37 100 98 2.3-3.0 3.0=96, 2959/1.8=8...(33) 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 - 4.4-10.1 HE3 LYS 66 - HD2 LYS 68 far 0 79 0 - 6.5-11.8 HE3 LYS 66 - HD3 LYS 68 far 0 79 0 - 6.8-11.8 HE2 LYS 66 - HD2 LYS 39 far 0 94 0 - 7.1-12.9 HE2 LYS 66 - HD3 LYS 68 far 0 86 0 - 7.5-11.5 HE2 LYS 66 - HD2 LYS 68 far 0 87 0 - 7.8-11.6 HE3 LYS 66 - HD2 LYS 39 far 0 87 0 - 7.9-13.4 HE2 LYS 66 - HD3 LYS 39 far 0 85 0 - 8.7-13.4 HE3 LYS 82 - HD3 LYS 68 far 0 82 0 - 8.8-12.9 HE3 LYS 82 - HD2 LYS 68 far 0 82 0 - 9.2-13.1 HE3 LYS 66 - HD3 LYS 39 far 0 78 0 - 9.3-14.1 Violated in 0 structures by 0.00 A. Peak 1735 from cnoeabs.peaks (8.08, 1.64, 29.36 ppm; 5.14 A increased from 4.57 A): 1 out of 5 assignments used, quality = 0.95: H LYS 39 + HD2 LYS 39 OK 95 95 100 100 4.5-5.0 6604/3.6=88, 6605/3.6=87...(17) ! H LYS 39 - HD3 LYS 39 far 0 100 0 - 5.7-6.0 H LYS 90 - HD2 LYS 94 far 0 50 0 - 6.6-10.3 H GLU 75 - HD3 LYS 39 far 0 100 0 - 8.8-10.4 H GLU 75 - HD2 LYS 39 far 0 93 0 - 9.0-11.7 Violated in 0 structures by 0.00 A. Peak 1736 from cnoeabs.peaks (3.61, 1.64, 29.36 ppm; 4.99 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 39 + HD3 LYS 39 OK 100 100 100 100 4.5-4.9 4.9=100 HA LYS 39 + HD2 LYS 39 OK 95 95 100 100 3.8-4.7 4.9=100 Violated in 0 structures by 0.00 A. Peak 1737 from cnoeabs.peaks (1.80, 1.64, 29.36 ppm; 3.37 A increased from 3.18 A): 2 out of 23 assignments used, quality = 0.97: HB2 LYS 39 + HD2 LYS 39 OK 94 95 100 100 2.3-3.4 3.6=83, 6604/1735=26...(44) * HB2 LYS 39 + HD3 LYS 39 OK 40 100 40 100 3.5-4.0 3.6=83, 1686/1.8=53...(51) HB3 LYS 90 - HD2 LYS 94 far 0 52 0 - 4.0-7.7 HB2 LYS 90 - HD2 LYS 94 far 0 83 0 - 4.8-8.9 HB ILE 93 - HD2 LYS 94 far 0 88 0 - 5.6-7.2 HB2 LEU 42 - HD2 LYS 39 far 0 92 0 - 5.6-6.6 HB2 LEU 42 - HD3 LYS 39 far 0 99 0 - 5.9-6.4 HB ILE 56 - HD3 LYS 68 far 0 56 0 - 6.8-8.9 HB ILE 56 - HD2 LYS 68 far 0 55 0 - 7.2-9.1 HB2 LYS 66 - HD2 LYS 39 far 0 65 0 - 7.6-9.9 HG3 ARG 46 - HD3 LYS 39 far 0 99 0 - 8.1-11.8 HB2 LYS 66 - HD2 LYS 68 far 0 60 0 - 8.4-9.8 HG3 ARG 46 - HD2 LYS 39 far 0 91 0 - 8.4-13.0 HB3 LYS 82 - HD3 LYS 68 far 0 58 0 - 8.5-11.1 HB3 GLU 63 - HD2 LYS 68 far 0 78 0 - 8.6-11.4 HB3 LYS 82 - HD2 LYS 68 far 0 57 0 - 8.6-11.5 HB2 LYS 66 - HD3 LYS 68 far 0 61 0 - 8.6-9.8 HB VAL 78 - HD3 LYS 68 far 0 81 0 - 8.9-11.0 HB3 GLU 63 - HD3 LYS 68 far 0 79 0 - 8.9-11.3 HB VAL 78 - HD2 LYS 68 far 0 80 0 - 9.1-11.1 HB2 LYS 66 - HD3 LYS 39 far 0 73 0 - 9.4-10.8 HG2 ARG 46 - HD3 LYS 39 far 0 82 0 - 9.5-11.2 HG2 ARG 46 - HD2 LYS 39 far 0 73 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 1738 from cnoeabs.peaks (1.86, 1.64, 29.36 ppm; 3.03 A): 5 out of 14 assignments used, quality = 1.00: HB3 LYS 39 + HD2 LYS 39 OK 89 95 95 99 2.1-3.3 3.6=60, 1.8/1687=43...(38) HB3 LYS 68 + HD3 LYS 68 OK 66 89 75 99 2.3-3.7 3.5=65, 3014/3.0=18...(70) HB2 LYS 68 + HD3 LYS 68 OK 55 74 75 99 2.5-3.7 3.5=65, ~2993=13...(73) HB3 LYS 68 + HD2 LYS 68 OK 52 88 60 99 2.4-3.7 3.5=65, 3014/3.0=18...(69) HB2 LYS 68 + HD2 LYS 68 OK 43 73 60 99 2.5-3.9 3.5=65, 3002/1.8=14...(72) ! HB3 LYS 39 - HD3 LYS 39 far 0 100 0 - 3.4-3.9 HB3 LYS 90 - HD2 LYS 94 far 0 65 0 - 4.0-7.7 HG LEU 42 - HD2 LYS 39 far 0 61 0 - 7.1-8.3 HB3 LYS 66 - HD2 LYS 68 far 0 90 0 - 7.6-9.3 HG LEU 42 - HD3 LYS 39 far 0 70 0 - 7.8-8.3 HB3 LYS 66 - HD3 LYS 68 far 0 91 0 - 8.0-9.4 HB3 LYS 66 - HD2 LYS 39 far 0 94 0 - 9.2-11.3 HG2 ARG 46 - HD3 LYS 39 far 0 63 0 - 9.5-11.2 HG2 ARG 46 - HD2 LYS 39 far 0 55 0 - 9.8-12.5 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 100 100 100 100 2.3-2.7 3.0=75, 1.8/1720=45...(70) HG3 LYS 68 + HD3 LYS 68 OK 66 91 75 97 2.4-3.0 3.0=75, 3038/1.8=12...(62) HG2 LYS 94 + HD2 LYS 94 OK 57 88 70 92 2.5-3.0 3.0=75, 2.9/4191=15...(30) HG3 LYS 68 + HD2 LYS 68 OK 56 90 65 97 2.3-3.0 3.0=75, 3038/1.8=14...(62) HG2 LYS 39 + HD2 LYS 39 OK 52 95 55 99 2.4-3.0 3.0=75, 1.8/1740=30...(47) HG3 LYS 94 + HD2 LYS 94 OK 40 52 85 91 2.3-3.0 3.0=75, 2.9/4191=15...(30) QB ALA 67 - HD3 LYS 68 far 0 89 0 - 4.7-6.3 QB ALA 25 - HD2 LYS 94 far 0 88 0 - 4.8-7.1 QB ALA 67 - HD2 LYS 68 far 0 88 0 - 4.8-6.4 HB2 LEU 70 - HD2 LYS 39 far 0 78 0 - 5.0-7.8 HB2 LEU 70 - HD3 LYS 39 far 0 87 0 - 6.3-7.7 HB2 LYS 82 - HD3 LYS 68 far 0 91 0 - 6.9-9.5 HB2 LYS 82 - HD2 LYS 68 far 0 90 0 - 7.1-9.9 QB ALA 89 - HD2 LYS 94 far 0 88 0 - 7.7-10.5 HG3 LYS 40 - HD2 LYS 39 far 0 89 0 - 7.9-9.8 QB ALA 67 - HD2 LYS 39 far 0 93 0 - 8.5-10.4 HG3 LYS 40 - HD3 LYS 39 far 0 97 0 - 8.7-9.9 HB2 LEU 70 - HD3 LYS 68 far 0 74 0 - 8.8-9.4 HB2 LEU 70 - HD2 LYS 68 far 0 73 0 - 8.9-9.4 QB ALA 67 - HD3 LYS 39 far 0 99 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 1740 from cnoeabs.peaks (1.44, 1.64, 29.36 ppm; 2.80 A): 2 out of 25 assignments used, quality = 1.00: * HG3 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.3-2.7 3.0=85, 1.8/1709=25...(56) HG3 LYS 39 + HD2 LYS 39 OK 94 95 100 100 2.5-3.0 3.0=85, 1720/1.8=48...(46) HG LEU 64 - HD2 LYS 68 poor 19 48 40 - 2.2-5.1 HG LEU 64 - HD3 LYS 68 far 5 49 10 - 2.3-5.0 HG3 ARG 91 - HD2 LYS 94 far 0 85 0 - 4.6-8.4 HB2 LEU 38 - HD2 LYS 39 far 0 89 0 - 5.5-8.2 QB ALA 71 - HD2 LYS 68 far 0 62 0 - 6.5-7.5 QB ALA 71 - HD3 LYS 68 far 0 63 0 - 6.6-7.7 QB ALA 71 - HD2 LYS 39 far 0 66 0 - 6.9-9.1 HB2 LEU 38 - HD3 LYS 39 far 0 97 0 - 7.0-9.1 HG LEU 38 - HD2 LYS 39 far 0 85 0 - 7.4-9.1 HD2 LYS 82 - HD3 LYS 68 far 0 81 0 - 7.6-10.5 QB ALA 71 - HD3 LYS 39 far 0 75 0 - 7.7-8.8 HD2 LYS 82 - HD2 LYS 68 far 0 80 0 - 7.9-10.6 HD2 LYS 40 - HD2 LYS 39 far 0 79 0 - 7.9-10.4 HD3 LYS 40 - HD2 LYS 39 far 0 78 0 - 8.5-11.4 QB ALA 22 - HD2 LYS 94 far 0 88 0 - 8.5-9.9 HG LEU 38 - HD3 LYS 39 far 0 94 0 - 8.9-9.9 HD2 LYS 40 - HD3 LYS 39 far 0 88 0 - 8.9-10.8 HG13 ILE 76 - HD3 LYS 39 far 0 100 0 - 9.3-10.7 HG13 ILE 76 - HD2 LYS 39 far 0 94 0 - 9.4-11.7 HD3 LYS 40 - HD3 LYS 39 far 0 87 0 - 9.6-11.3 HG LEU 38 - HD2 LYS 68 far 0 80 0 - 9.8-11.4 HG LEU 38 - HD3 LYS 68 far 0 81 0 - 9.8-11.2 HB2 LEU 27 - HD2 LYS 94 far 0 81 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 1741 from cnoeabs.peaks (1.65, 1.64, 29.36 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HD3 LYS 39 + HD3 LYS 39 OK 98 98 - 100 HD2 LYS 39 + HD2 LYS 39 OK 95 95 - 100 HD3 LYS 68 + HD3 LYS 68 OK 91 91 - 100 HD2 LYS 68 + HD2 LYS 68 OK 90 90 - 100 HD2 LYS 94 + HD2 LYS 94 OK 62 62 - 100 Reference assignment not found: HD2 LYS 39 - HD3 LYS 39 Peak 1742 from cnoeabs.peaks (1.64, 1.64, 29.36 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HD3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 90 90 - 100 HD3 LYS 68 + HD3 LYS 68 OK 88 88 - 100 HD2 LYS 68 + HD2 LYS 68 OK 86 86 - 100 HD2 LYS 94 + HD2 LYS 94 OK 80 80 - 100 Peak 1743 from cnoeabs.peaks (2.87, 1.64, 29.36 ppm; 2.97 A): 8 out of 18 assignments used, quality = 1.00: * HE2 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.3-3.0 3.0=99 HE3 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.6-3.0 3.0=99 HE2 LYS 39 + HD2 LYS 39 OK 94 95 100 99 2.3-3.0 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 2.4-3.0 3.0=98, 1.8/3080=9...(63) HE3 LYS 68 + HD2 LYS 68 OK 51 51 100 100 2.3-3.0 3.0=98, 1.8/3080=10...(63) HE2 LYS 68 + HD3 LYS 68 OK 49 49 100 100 2.2-3.0 3.0=98, 1.8/3080=9...(67) HE2 LYS 68 + HD2 LYS 68 OK 48 48 100 100 2.2-3.0 3.0=98, 1.8/3080=9...(68) HE3 LYS 66 - HD2 LYS 68 far 0 63 0 - 6.5-11.8 HE3 LYS 66 - HD3 LYS 68 far 0 65 0 - 6.8-11.8 HE2 LYS 66 - HD2 LYS 39 far 0 78 0 - 7.1-12.9 HE2 LYS 66 - HD3 LYS 68 far 0 74 0 - 7.5-11.5 HE2 LYS 66 - HD2 LYS 68 far 0 73 0 - 7.8-11.6 HE3 LYS 66 - HD2 LYS 39 far 0 68 0 - 7.9-13.4 HE2 LYS 66 - HD3 LYS 39 far 0 87 0 - 8.7-13.4 HE3 LYS 82 - HD3 LYS 68 far 0 84 0 - 8.8-12.9 HE3 LYS 82 - HD2 LYS 68 far 0 82 0 - 9.2-13.1 HE3 LYS 66 - HD3 LYS 39 far 0 77 0 - 9.3-14.1 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 19 assignments used, quality = 1.00: * HE3 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.6-3.0 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 2.3-3.0 3.0=99 HE3 LYS 68 + HD3 LYS 68 OK 63 63 100 100 2.4-3.0 3.0=98, 1.8/3080=9...(65) HE3 LYS 68 + HD2 LYS 68 OK 62 62 100 100 2.3-3.0 3.0=98, 1.8/3080=10...(65) HE2 LYS 68 + HD3 LYS 68 OK 59 59 100 100 2.2-3.0 3.0=98, 1.8/3080=9...(68) HE2 LYS 68 + HD2 LYS 68 OK 58 58 100 100 2.2-3.0 3.0=98, 1.8/3080=9...(69) HE3 LYS 94 + HD2 LYS 94 OK 55 55 100 100 2.2-3.0 3.0=100 HE3 LYS 66 - HD2 LYS 68 far 0 73 0 - 6.5-11.8 HE3 LYS 66 - HD3 LYS 68 far 0 74 0 - 6.8-11.8 HE2 LYS 66 - HD2 LYS 39 far 0 85 0 - 7.1-12.9 HE2 LYS 66 - HD3 LYS 68 far 0 81 0 - 7.5-11.5 HE2 LYS 66 - HD2 LYS 68 far 0 80 0 - 7.8-11.6 HE3 LYS 66 - HD2 LYS 39 far 0 78 0 - 7.9-13.4 HE2 LYS 66 - HD3 LYS 39 far 0 94 0 - 8.7-13.4 HE3 LYS 82 - HD3 LYS 68 far 0 77 0 - 8.8-12.9 HE3 LYS 82 - HD2 LYS 68 far 0 76 0 - 9.2-13.1 HE3 LYS 66 - HD3 LYS 39 far 0 87 0 - 9.3-14.1 Violated in 0 structures by 0.00 A. Peak 1748 from cnoeabs.peaks (1.80, 2.87, 41.80 ppm; 3.91 A): 4 out of 17 assignments used, quality = 1.00: * HB2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.7-4.0 1686/3.0=51, 4.9=50...(61) HB2 LYS 39 + HE3 LYS 39 OK 99 99 100 100 2.2-3.5 1686/3.0=51, 4.9=50...(58) HB3 LYS 82 + HE3 LYS 82 OK 38 38 100 99 2.0-2.6 1.8/3657=56, 4.8=54...(16) HB2 LYS 66 + HE3 LYS 66 OK 21 35 60 99 2.0-4.8 4.7=57, 2943/2.9=34...(30) HB2 LYS 66 - HE2 LYS 66 poor 16 46 35 - 2.0-4.8 HB2 LEU 42 - HE2 LYS 39 far 0 99 0 - 5.7-7.9 HB2 LEU 42 - HE3 LYS 39 far 0 98 0 - 6.2-7.8 HB2 LYS 66 - HE3 LYS 39 far 0 71 0 - 6.8-9.7 HB2 LYS 66 - HE2 LYS 39 far 0 73 0 - 7.2-9.5 HB2 LYS 39 - HE3 LYS 66 far 0 57 0 - 7.7-12.9 HB2 LYS 39 - HE2 LYS 66 far 0 73 0 - 8.0-12.9 HB3 GLU 63 - HE3 LYS 66 far 0 48 0 - 8.0-10.8 HB3 GLU 63 - HE3 LYS 82 far 0 55 0 - 8.1-8.7 HB2 GLU 88 - HE3 LYS 82 far 0 62 0 - 8.5-10.0 HG3 ARG 46 - HE2 LYS 39 far 0 99 0 - 8.6-12.9 HB3 GLU 63 - HE2 LYS 66 far 0 62 0 - 8.8-10.8 HG2 ARG 46 - HE2 LYS 39 far 0 82 0 - 9.7-13.3 Violated in 0 structures by 0.00 A. Peak 1749 from cnoeabs.peaks (1.86, 2.87, 41.80 ppm; 3.81 A): 3 out of 15 assignments used, quality = 1.00: HB3 LYS 39 + HE3 LYS 39 OK 99 99 100 100 2.0-3.4 4.9=46, ~1686=29...(38) * HB3 LYS 39 + HE2 LYS 39 OK 85 100 85 100 2.0-4.3 4.9=46, ~1686=29...(39) HB3 LYS 66 + HE2 LYS 66 OK 22 73 30 100 3.6-5.5 4.7=52, ~2943=39...(33) HB3 LYS 66 - HE3 LYS 66 poor 17 57 30 - 3.6-5.5 HB3 LYS 39 - HE2 LYS 66 far 0 73 0 - 7.0-13.5 HG LEU 42 - HE2 LYS 39 far 0 70 0 - 7.2-9.6 HB3 LYS 39 - HE3 LYS 66 far 0 57 0 - 7.3-12.6 HG LEU 42 - HE3 LYS 39 far 0 68 0 - 7.4-9.2 HB3 LYS 68 - HE3 LYS 66 far 0 55 0 - 7.9-11.4 HB2 LYS 68 - HE3 LYS 66 far 0 44 0 - 8.2-11.9 HB3 LYS 66 - HE3 LYS 39 far 0 99 0 - 8.5-11.3 HB3 LYS 66 - HE2 LYS 39 far 0 100 0 - 8.9-11.1 HB3 LYS 68 - HE2 LYS 66 far 0 71 0 - 9.1-11.1 HB2 LYS 68 - HE2 LYS 66 far 0 57 0 - 9.3-11.5 HG2 ARG 46 - HE2 LYS 39 far 0 63 0 - 9.7-13.3 Violated in 0 structures by 0.00 A. Peak 1750 from cnoeabs.peaks (1.34, 2.87, 41.80 ppm; 3.85 A increased from 3.42 A): 3 out of 19 assignments used, quality = 1.00: HG2 LYS 39 + HE3 LYS 39 OK 99 99 100 100 2.6-3.8 3.5=100 * HG2 LYS 39 + HE2 LYS 39 OK 80 100 80 100 2.2-4.2 3.5=100 HB2 LYS 82 + HE3 LYS 82 OK 65 65 100 100 2.7-3.8 1.8/3668=64, 3657=59...(14) HB2 LEU 70 - HE2 LYS 39 far 0 87 0 - 4.9-7.8 HB2 LEU 70 - HE2 LYS 66 far 0 57 0 - 5.0-9.1 HB2 LEU 70 - HE3 LYS 39 far 0 85 0 - 5.1-7.8 HB2 LEU 70 - HE3 LYS 66 far 0 44 0 - 5.4-9.0 HG3 LYS 68 - HE3 LYS 66 far 0 57 0 - 6.0-9.8 QB ALA 67 - HE3 LYS 66 far 0 56 0 - 6.3-8.4 QB ALA 67 - HE2 LYS 66 far 0 71 0 - 6.3-8.4 HG3 LYS 68 - HE2 LYS 66 far 0 73 0 - 7.0-9.4 HG3 LYS 40 - HE3 LYS 39 far 0 96 0 - 8.3-10.2 HG2 LYS 39 - HE2 LYS 66 far 0 73 0 - 8.5-13.1 QB ALA 67 - HE3 LYS 39 far 0 98 0 - 8.5-10.5 QB ALA 67 - HE2 LYS 39 far 0 99 0 - 8.6-10.5 HG2 LYS 39 - HE3 LYS 66 far 0 57 0 - 8.7-12.9 HG3 LYS 40 - HE2 LYS 39 far 0 97 0 - 9.0-10.9 QB ALA 67 - HE3 LYS 82 far 0 64 0 - 9.0-10.0 QB ALA 89 - HE3 LYS 82 far 0 64 0 - 9.7-10.8 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 24 assignments used, quality = 0.94: * HG3 LYS 39 + HE2 LYS 39 OK 70 100 70 100 2.4-4.2 3.5=85, 1720/3.0=44...(74) HD2 LYS 82 + HE3 LYS 82 OK 57 57 100 100 2.4-3.0 3.0=100 HG3 LYS 39 + HE3 LYS 39 OK 55 99 55 100 2.3-4.2 3.5=85, 1720/3.0=44...(71) HB2 LEU 38 - HE3 LYS 39 far 0 96 0 - 5.5-8.2 HB2 LEU 38 - HE2 LYS 39 far 0 97 0 - 5.6-8.3 HG LEU 64 - HE3 LYS 82 far 0 32 0 - 6.8-8.8 QB ALA 71 - HE2 LYS 39 far 0 75 0 - 7.0-9.5 HB2 LEU 38 - HE2 LYS 66 far 0 68 0 - 7.1-11.0 HB2 LEU 38 - HE3 LYS 66 far 0 52 0 - 7.3-10.6 HG LEU 64 - HE3 LYS 66 far 0 27 0 - 7.4-11.1 HG LEU 38 - HE2 LYS 66 far 0 64 0 - 7.4-10.8 HG LEU 38 - HE3 LYS 39 far 0 92 0 - 7.4-9.4 HG3 LYS 39 - HE3 LYS 66 far 0 57 0 - 7.5-14.3 HG LEU 38 - HE3 LYS 66 far 0 49 0 - 7.5-10.7 QB ALA 71 - HE3 LYS 39 far 0 73 0 - 7.5-9.3 HG LEU 38 - HE2 LYS 39 far 0 94 0 - 7.6-9.7 QB ALA 71 - HE2 LYS 66 far 0 48 0 - 7.9-10.6 QB ALA 71 - HE3 LYS 66 far 0 36 0 - 8.0-10.9 HG3 LYS 39 - HE2 LYS 66 far 0 73 0 - 8.2-14.2 HD2 LYS 40 - HE3 LYS 39 far 0 86 0 - 8.3-10.1 HD3 LYS 40 - HE3 LYS 39 far 0 85 0 - 8.8-11.3 HG13 ILE 76 - HE2 LYS 39 far 0 100 0 - 8.9-12.0 HG LEU 64 - HE2 LYS 66 far 0 36 0 - 8.9-10.8 HD2 LYS 40 - HE2 LYS 39 far 0 88 0 - 9.1-11.1 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 29 assignments used, quality = 1.00: * HD2 LYS 39 + HE2 LYS 39 OK 99 100 100 99 2.3-3.0 3.0=91, 1740/3.5=18...(36) HD2 LYS 39 + HE3 LYS 39 OK 98 99 100 99 2.2-3.0 3.0=91, 1740/3.5=18...(37) HD3 LYS 39 + HE2 LYS 39 OK 97 98 100 99 2.3-3.0 3.0=91, 1719/3.5=27...(36) HD3 LYS 39 + HE3 LYS 39 OK 95 96 100 99 2.6-3.0 3.0=91, 1719/3.5=27...(35) HD2 LYS 73 - HE2 LYS 39 far 0 98 0 - 4.4-8.5 HD3 LYS 73 - HE2 LYS 39 far 0 99 0 - 5.5-9.0 HG2 LYS 68 - HE3 LYS 66 far 0 54 0 - 5.6-9.4 HB3 LYS 40 - HE3 LYS 39 far 0 77 0 - 5.7-8.4 HD2 LYS 73 - HE3 LYS 39 far 0 96 0 - 5.8-9.6 HB2 LYS 40 - HE3 LYS 39 far 0 98 0 - 6.2-8.3 HD2 LYS 68 - HE3 LYS 66 far 0 57 0 - 6.5-11.8 HG2 LYS 68 - HE2 LYS 66 far 0 69 0 - 6.7-9.1 HD3 LYS 73 - HE3 LYS 39 far 0 97 0 - 6.7-10.3 HB3 LYS 40 - HE2 LYS 39 far 0 79 0 - 6.7-9.3 HD3 LYS 68 - HE3 LYS 66 far 0 57 0 - 6.8-11.8 HD2 LYS 73 - HE3 LYS 66 far 0 53 0 - 6.9-12.4 HB2 LYS 40 - HE2 LYS 39 far 0 99 0 - 7.0-9.2 HD2 LYS 39 - HE2 LYS 66 far 0 73 0 - 7.1-12.9 HD2 LYS 73 - HE2 LYS 66 far 0 68 0 - 7.1-12.5 HD3 LYS 73 - HE3 LYS 66 far 0 54 0 - 7.2-13.1 HD3 LYS 73 - HE2 LYS 66 far 0 70 0 - 7.4-13.0 HD3 LYS 68 - HE2 LYS 66 far 0 73 0 - 7.5-11.5 HD2 LYS 68 - HE2 LYS 66 far 0 73 0 - 7.8-11.6 HD2 LYS 39 - HE3 LYS 66 far 0 57 0 - 7.9-13.4 HD3 LYS 39 - HE2 LYS 66 far 0 68 0 - 8.7-13.4 HD3 LYS 68 - HE3 LYS 82 far 0 65 0 - 8.8-12.9 HD2 LYS 68 - HE3 LYS 82 far 0 65 0 - 9.2-13.1 HD3 LYS 39 - HE3 LYS 66 far 0 53 0 - 9.3-14.1 HB ILE 76 - HE2 LYS 39 far 0 99 0 - 9.3-12.3 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 27 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=27...(36) HD3 LYS 39 + HE3 LYS 39 OK 98 99 100 99 2.6-3.0 3.0=91, 1720/3.5=27...(35) HD2 LYS 39 + HE2 LYS 39 OK 96 98 100 99 2.3-3.0 3.0=91, 1740/3.5=18...(35) HD2 LYS 39 + HE3 LYS 39 OK 95 96 100 99 2.2-3.0 3.0=91, 1740/3.5=18...(36) HD2 LYS 73 - HE2 LYS 39 far 0 84 0 - 4.4-8.5 HD3 LYS 73 - HE2 LYS 39 far 0 87 0 - 5.5-9.0 HG2 LYS 68 - HE3 LYS 66 far 0 57 0 - 5.6-9.4 HD2 LYS 73 - HE3 LYS 39 far 0 82 0 - 5.8-9.6 HB2 LYS 40 - HE3 LYS 39 far 0 99 0 - 6.2-8.3 HD2 LYS 68 - HE3 LYS 66 far 0 54 0 - 6.5-11.8 HG2 LYS 68 - HE2 LYS 66 far 0 73 0 - 6.7-9.1 HD3 LYS 73 - HE3 LYS 39 far 0 85 0 - 6.7-10.3 HD3 LYS 68 - HE3 LYS 66 far 0 55 0 - 6.8-11.8 HD2 LYS 73 - HE3 LYS 66 far 0 42 0 - 6.9-12.4 HB2 LYS 40 - HE2 LYS 39 far 0 100 0 - 7.0-9.2 HD2 LYS 39 - HE2 LYS 66 far 0 68 0 - 7.1-12.9 HD2 LYS 73 - HE2 LYS 66 far 0 55 0 - 7.1-12.5 HD3 LYS 73 - HE3 LYS 66 far 0 44 0 - 7.2-13.1 HD3 LYS 73 - HE2 LYS 66 far 0 57 0 - 7.4-13.0 HD3 LYS 68 - HE2 LYS 66 far 0 70 0 - 7.5-11.5 HD2 LYS 68 - HE2 LYS 66 far 0 70 0 - 7.8-11.6 HD2 LYS 39 - HE3 LYS 66 far 0 53 0 - 7.9-13.4 HD3 LYS 39 - HE2 LYS 66 far 0 73 0 - 8.7-13.4 HD3 LYS 68 - HE3 LYS 82 far 0 63 0 - 8.8-12.9 HD2 LYS 68 - HE3 LYS 82 far 0 62 0 - 9.2-13.1 HD3 LYS 39 - HE3 LYS 66 far 0 57 0 - 9.3-14.1 HB ILE 76 - HE2 LYS 39 far 0 100 0 - 9.3-12.3 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 5 assignments used, quality = 1.00: * H LYS 39 + HE3 LYS 39 OK 100 100 100 100 4.3-5.5 6606/3.5=79, 1713/3.5=79...(16) H LYS 39 + HE2 LYS 39 OK 75 99 75 100 4.5-6.2 6606/3.5=79, 1713/3.5=79...(14) H LYS 39 - HE2 LYS 66 far 0 87 0 - 8.2-12.5 H LYS 39 - HE3 LYS 66 far 0 73 0 - 8.3-12.1 H GLU 75 - HE2 LYS 39 far 0 99 0 - 8.7-11.7 Violated in 0 structures by 0.00 A. Peak 1759 from cnoeabs.peaks (1.80, 2.88, 41.80 ppm; 3.91 A): 4 out of 17 assignments used, quality = 1.00: * HB2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.2-3.5 1686/3.0=51, 4.9=50...(58) HB2 LYS 39 + HE2 LYS 39 OK 99 99 100 100 2.7-4.0 1686/3.0=51, 4.9=50...(61) HB3 LYS 82 + HE3 LYS 82 OK 31 31 100 99 2.0-2.6 4.8=54, 1.8/3657=51...(16) HB2 LYS 66 + HE3 LYS 66 OK 28 46 60 99 2.0-4.8 4.7=57, 2943/2.9=34...(30) HB2 LYS 66 - HE2 LYS 66 poor 20 57 35 99 2.0-4.8 4.7=57, 2943/2.9=34...(30) HB2 LEU 42 - HE2 LYS 39 far 0 98 0 - 5.7-7.9 HB2 LEU 42 - HE3 LYS 39 far 0 99 0 - 6.2-7.8 HB2 LYS 66 - HE3 LYS 39 far 0 73 0 - 6.8-9.7 HB2 LYS 66 - HE2 LYS 39 far 0 71 0 - 7.2-9.5 HB2 LYS 39 - HE3 LYS 66 far 0 73 0 - 7.7-12.9 HB2 LYS 39 - HE2 LYS 66 far 0 87 0 - 8.0-12.9 HB3 GLU 63 - HE3 LYS 66 far 0 62 0 - 8.0-10.8 HB3 GLU 63 - HE3 LYS 82 far 0 45 0 - 8.1-8.7 HB2 GLU 88 - HE3 LYS 82 far 0 52 0 - 8.5-10.0 HG3 ARG 46 - HE2 LYS 39 far 0 97 0 - 8.6-12.9 HB3 GLU 63 - HE2 LYS 66 far 0 75 0 - 8.8-10.8 HG2 ARG 46 - HE2 LYS 39 far 0 80 0 - 9.7-13.3 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 15 assignments used, quality = 1.00: * HB3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.0-3.4 4.9=46, ~1686=29...(38) HB3 LYS 39 + HE2 LYS 39 OK 84 99 85 100 2.0-4.3 4.9=46, ~1686=29...(39) HB3 LYS 66 + HE2 LYS 66 OK 26 87 30 100 3.6-5.5 4.7=52, ~2943=39...(33) HB3 LYS 66 + HE3 LYS 66 OK 22 73 30 100 3.6-5.5 4.7=52, ~2943=39...(33) HB3 LYS 39 - HE2 LYS 66 far 0 87 0 - 7.0-13.5 HG LEU 42 - HE2 LYS 39 far 0 68 0 - 7.2-9.6 HB3 LYS 39 - HE3 LYS 66 far 0 73 0 - 7.3-12.6 HG LEU 42 - HE3 LYS 39 far 0 70 0 - 7.4-9.2 HB3 LYS 68 - HE3 LYS 66 far 0 71 0 - 7.9-11.4 HB2 LYS 68 - HE3 LYS 66 far 0 57 0 - 8.2-11.9 HB3 LYS 66 - HE3 LYS 39 far 0 100 0 - 8.5-11.3 HB3 LYS 66 - HE2 LYS 39 far 0 99 0 - 8.9-11.1 HB3 LYS 68 - HE2 LYS 66 far 0 84 0 - 9.1-11.1 HB2 LYS 68 - HE2 LYS 66 far 0 70 0 - 9.3-11.5 HG2 ARG 46 - HE2 LYS 39 far 0 62 0 - 9.7-13.3 Violated in 0 structures by 0.00 A. Peak 1761 from cnoeabs.peaks (1.34, 2.88, 41.80 ppm; 3.85 A increased from 3.42 A): 3 out of 19 assignments used, quality = 1.00: * HG2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.6-3.8 3.5=100 HG2 LYS 39 + HE2 LYS 39 OK 80 99 80 100 2.2-4.2 3.5=100 HB2 LYS 82 + HE3 LYS 82 OK 54 55 100 100 2.7-3.8 1.8/3668=59, 3657=54...(14) HB2 LEU 70 - HE2 LYS 39 far 0 85 0 - 4.9-7.8 HB2 LEU 70 - HE2 LYS 66 far 0 70 0 - 5.0-9.1 HB2 LEU 70 - HE3 LYS 39 far 0 87 0 - 5.1-7.8 HB2 LEU 70 - HE3 LYS 66 far 0 57 0 - 5.4-9.0 HG3 LYS 68 - HE3 LYS 66 far 0 73 0 - 6.0-9.8 QB ALA 67 - HE3 LYS 66 far 0 71 0 - 6.3-8.4 QB ALA 67 - HE2 LYS 66 far 0 85 0 - 6.3-8.4 HG3 LYS 68 - HE2 LYS 66 far 0 86 0 - 7.0-9.4 HG3 LYS 40 - HE3 LYS 39 far 0 97 0 - 8.3-10.2 HG2 LYS 39 - HE2 LYS 66 far 0 87 0 - 8.5-13.1 QB ALA 67 - HE3 LYS 39 far 0 99 0 - 8.5-10.5 QB ALA 67 - HE2 LYS 39 far 0 98 0 - 8.6-10.5 HG2 LYS 39 - HE3 LYS 66 far 0 73 0 - 8.7-12.9 HG3 LYS 40 - HE2 LYS 39 far 0 96 0 - 9.0-10.9 QB ALA 67 - HE3 LYS 82 far 0 53 0 - 9.0-10.0 QB ALA 89 - HE3 LYS 82 far 0 54 0 - 9.7-10.8 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 24 assignments used, quality = 0.93: HG3 LYS 39 + HE2 LYS 39 OK 70 99 70 100 2.4-4.2 3.5=85, 1720/3.0=44...(74) * HG3 LYS 39 + HE3 LYS 39 OK 55 100 55 100 2.3-4.2 3.5=85, 1720/3.0=44...(71) HD2 LYS 82 + HE3 LYS 82 OK 47 47 100 100 2.4-3.0 3.0=100 HB2 LEU 38 - HE3 LYS 39 far 0 97 0 - 5.5-8.2 HB2 LEU 38 - HE2 LYS 39 far 0 96 0 - 5.6-8.3 HG LEU 64 - HE3 LYS 82 far 0 26 0 - 6.8-8.8 QB ALA 71 - HE2 LYS 39 far 0 73 0 - 7.0-9.5 HB2 LEU 38 - HE2 LYS 66 far 0 81 0 - 7.1-11.0 HB2 LEU 38 - HE3 LYS 66 far 0 68 0 - 7.3-10.6 HG LEU 64 - HE3 LYS 66 far 0 36 0 - 7.4-11.1 HG LEU 38 - HE2 LYS 66 far 0 77 0 - 7.4-10.8 HG LEU 38 - HE3 LYS 39 far 0 94 0 - 7.4-9.4 HG3 LYS 39 - HE3 LYS 66 far 0 73 0 - 7.5-14.3 HG LEU 38 - HE3 LYS 66 far 0 64 0 - 7.5-10.7 QB ALA 71 - HE3 LYS 39 far 0 75 0 - 7.5-9.3 HG LEU 38 - HE2 LYS 39 far 0 92 0 - 7.6-9.7 QB ALA 71 - HE2 LYS 66 far 0 59 0 - 7.9-10.6 QB ALA 71 - HE3 LYS 66 far 0 48 0 - 8.0-10.9 HG3 LYS 39 - HE2 LYS 66 far 0 87 0 - 8.2-14.2 HD2 LYS 40 - HE3 LYS 39 far 0 88 0 - 8.3-10.1 HD3 LYS 40 - HE3 LYS 39 far 0 87 0 - 8.8-11.3 HG13 ILE 76 - HE2 LYS 39 far 0 99 0 - 8.9-12.0 HG LEU 64 - HE2 LYS 66 far 0 45 0 - 8.9-10.8 HD2 LYS 40 - HE2 LYS 39 far 0 86 0 - 9.1-11.1 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 29 assignments used, quality = 1.00: * HD2 LYS 39 + HE3 LYS 39 OK 99 100 100 99 2.2-3.0 3.0=91, 1740/3.5=18...(37) HD2 LYS 39 + HE2 LYS 39 OK 98 99 100 99 2.3-3.0 3.0=91, 1740/3.5=18...(36) HD3 LYS 39 + HE3 LYS 39 OK 97 98 100 99 2.6-3.0 3.0=91, 1719/3.5=27...(35) HD3 LYS 39 + HE2 LYS 39 OK 95 96 100 99 2.3-3.0 3.0=91, 1719/3.5=27...(36) HD2 LYS 73 - HE2 LYS 39 far 0 96 0 - 4.4-8.5 HD3 LYS 73 - HE2 LYS 39 far 0 97 0 - 5.5-9.0 HG2 LYS 68 - HE3 LYS 66 far 0 69 0 - 5.6-9.4 HB3 LYS 40 - HE3 LYS 39 far 0 79 0 - 5.7-8.4 HD2 LYS 73 - HE3 LYS 39 far 0 98 0 - 5.8-9.6 HB2 LYS 40 - HE3 LYS 39 far 0 99 0 - 6.2-8.3 HD2 LYS 68 - HE3 LYS 66 far 0 73 0 - 6.5-11.8 HG2 LYS 68 - HE2 LYS 66 far 0 83 0 - 6.7-9.1 HD3 LYS 73 - HE3 LYS 39 far 0 99 0 - 6.7-10.3 HB3 LYS 40 - HE2 LYS 39 far 0 77 0 - 6.7-9.3 HD3 LYS 68 - HE3 LYS 66 far 0 73 0 - 6.8-11.8 HD2 LYS 73 - HE3 LYS 66 far 0 68 0 - 6.9-12.4 HB2 LYS 40 - HE2 LYS 39 far 0 98 0 - 7.0-9.2 HD2 LYS 39 - HE2 LYS 66 far 0 87 0 - 7.1-12.9 HD2 LYS 73 - HE2 LYS 66 far 0 82 0 - 7.1-12.5 HD3 LYS 73 - HE3 LYS 66 far 0 70 0 - 7.2-13.1 HD3 LYS 73 - HE2 LYS 66 far 0 83 0 - 7.4-13.0 HD3 LYS 68 - HE2 LYS 66 far 0 87 0 - 7.5-11.5 HD2 LYS 68 - HE2 LYS 66 far 0 87 0 - 7.8-11.6 HD2 LYS 39 - HE3 LYS 66 far 0 73 0 - 7.9-13.4 HD3 LYS 39 - HE2 LYS 66 far 0 82 0 - 8.7-13.4 HD3 LYS 68 - HE3 LYS 82 far 0 54 0 - 8.8-12.9 HD2 LYS 68 - HE3 LYS 82 far 0 55 0 - 9.2-13.1 HD3 LYS 39 - HE3 LYS 66 far 0 68 0 - 9.3-14.1 HB ILE 76 - HE2 LYS 39 far 0 98 0 - 9.3-12.3 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 27 assignments used, quality = 1.00: * HD3 LYS 39 + HE3 LYS 39 OK 99 100 100 99 2.6-3.0 3.0=91, 1720/3.5=27...(35) HD3 LYS 39 + HE2 LYS 39 OK 98 99 100 99 2.3-3.0 3.0=91, 1720/3.5=27...(36) HD2 LYS 39 + HE3 LYS 39 OK 96 98 100 99 2.2-3.0 3.0=91, 1740/3.5=18...(37) HD2 LYS 39 + HE2 LYS 39 OK 95 96 100 99 2.3-3.0 3.0=91, 1740/3.5=18...(35) HD2 LYS 73 - HE2 LYS 39 far 0 82 0 - 4.4-8.5 HD3 LYS 73 - HE2 LYS 39 far 0 85 0 - 5.5-9.0 HG2 LYS 68 - HE3 LYS 66 far 0 73 0 - 5.6-9.4 HD2 LYS 73 - HE3 LYS 39 far 0 84 0 - 5.8-9.6 HB2 LYS 40 - HE3 LYS 39 far 0 100 0 - 6.2-8.3 HD2 LYS 68 - HE3 LYS 66 far 0 70 0 - 6.5-11.8 HG2 LYS 68 - HE2 LYS 66 far 0 87 0 - 6.7-9.1 HD3 LYS 73 - HE3 LYS 39 far 0 87 0 - 6.7-10.3 HD3 LYS 68 - HE3 LYS 66 far 0 70 0 - 6.8-11.8 HD2 LYS 73 - HE3 LYS 66 far 0 55 0 - 6.9-12.4 HB2 LYS 40 - HE2 LYS 39 far 0 99 0 - 7.0-9.2 HD2 LYS 39 - HE2 LYS 66 far 0 82 0 - 7.1-12.9 HD2 LYS 73 - HE2 LYS 66 far 0 67 0 - 7.1-12.5 HD3 LYS 73 - HE3 LYS 66 far 0 57 0 - 7.2-13.1 HD3 LYS 73 - HE2 LYS 66 far 0 70 0 - 7.4-13.0 HD3 LYS 68 - HE2 LYS 66 far 0 84 0 - 7.5-11.5 HD2 LYS 68 - HE2 LYS 66 far 0 83 0 - 7.8-11.6 HD2 LYS 39 - HE3 LYS 66 far 0 68 0 - 7.9-13.4 HD3 LYS 39 - HE2 LYS 66 far 0 87 0 - 8.7-13.4 HD3 LYS 68 - HE3 LYS 82 far 0 52 0 - 8.8-12.9 HD2 LYS 68 - HE3 LYS 82 far 0 52 0 - 9.2-13.1 HD3 LYS 39 - HE3 LYS 66 far 0 73 0 - 9.3-14.1 HB ILE 76 - HE2 LYS 39 far 0 99 0 - 9.3-12.3 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 98 3.5-3.6 3.6=87, 6697/2.9=41...(12) H GLU 44 - HA LYS 40 far 0 75 0 - 4.8-5.2 H LYS 40 - HA GLU 35 far 0 62 0 - 5.9-6.6 H GLU 48 - HA GLU 43 far 0 73 0 - 7.1-7.8 H LYS 40 - HA GLU 43 far 0 82 0 - 7.2-7.5 H GLU 98 - HA ARG 91 far 0 53 0 - 8.3-8.9 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 25 assignments used, quality = 1.00: * HB2 LYS 40 + HA LYS 40 OK 100 100 100 100 2.8-3.0 3.0=100 HB3 LYS 40 + HA LYS 40 OK 63 63 100 100 2.2-2.3 3.0=100 HB3 ARG 91 + HA ARG 91 OK 37 37 100 100 3.0-3.0 3.0=100 HD2 LYS 94 - HA ARG 91 poor 11 54 40 50 2.6-6.2 3.5/4196=10, 1.8/4242=9...(11) HD3 LYS 47 - HA GLU 43 far 0 48 0 - 4.9-7.6 HD2 LYS 39 - HA LYS 40 far 0 99 0 - 5.0-7.1 HG3 LYS 47 - HA GLU 43 far 0 65 0 - 5.1-6.3 HD2 LYS 47 - HA GLU 43 far 0 50 0 - 5.6-7.9 HD3 LYS 39 - HA LYS 40 far 0 100 0 - 5.6-7.1 HD2 LYS 39 - HA GLU 35 far 0 60 0 - 6.0-7.7 HD3 LYS 39 - HA GLU 43 far 0 81 0 - 7.0-7.7 HB2 LYS 40 - HA GLU 35 far 0 62 0 - 7.4-8.0 HD2 LYS 39 - HA GLU 43 far 0 80 0 - 7.4-8.6 HB3 LYS 40 - HA GLU 43 far 0 45 0 - 7.5-7.9 HB ILE 76 - HA GLU 43 far 0 82 0 - 7.6-8.2 HD3 LYS 39 - HA GLU 35 far 0 61 0 - 7.7-8.9 HB2 LYS 40 - HA GLU 43 far 0 82 0 - 8.0-8.4 HB3 LYS 40 - HA GLU 35 far 0 32 0 - 8.0-9.3 HB3 LEU 6 - HA GLU 35 far 0 61 0 - 8.5-9.0 HD2 LYS 73 - HA GLU 43 far 0 69 0 - 8.5-14.0 HD2 LYS 47 - HA LYS 40 far 0 70 0 - 9.0-11.4 HG3 LYS 47 - HA LYS 40 far 0 87 0 - 9.2-10.5 HD3 LYS 47 - HA LYS 40 far 0 68 0 - 9.3-10.7 HD2 LYS 73 - HA LYS 40 far 0 91 0 - 9.7-14.7 HD3 LYS 73 - HA GLU 43 far 0 71 0 - 9.8-14.0 Violated in 0 structures by 0.00 A. Peak 1771 from cnoeabs.peaks (1.68, 3.86, 58.99 ppm; 3.05 A): 3 out of 27 assignments used, quality = 1.00: * HB3 LYS 40 + HA LYS 40 OK 100 100 100 100 2.2-2.3 3.0=100 HB3 ARG 91 + HA ARG 91 OK 67 67 100 100 3.0-3.0 3.0=100 HB2 LYS 40 + HA LYS 40 OK 63 63 100 100 2.8-3.0 3.0=100 HD3 LYS 47 - HA GLU 43 far 0 82 0 - 4.9-7.6 HD2 LYS 39 - HA LYS 40 far 0 79 0 - 5.0-7.1 HG LEU 70 - HA GLU 35 far 0 56 0 - 5.5-6.5 HD2 LYS 47 - HA GLU 43 far 0 82 0 - 5.6-7.9 HD2 LYS 39 - HA GLU 35 far 0 42 0 - 6.0-7.7 HB3 LEU 70 - HA GLU 35 far 0 38 0 - 6.1-6.9 HD3 LYS 90 - HA ARG 91 far 0 63 0 - 6.4-7.7 HD3 LYS 66 - HA GLU 35 far 0 53 0 - 6.7-8.7 HB2 LYS 40 - HA GLU 35 far 0 32 0 - 7.4-8.0 HD2 LYS 39 - HA GLU 43 far 0 58 0 - 7.4-8.6 HB3 LYS 40 - HA GLU 43 far 0 82 0 - 7.5-7.9 HB ILE 76 - HA GLU 43 far 0 42 0 - 7.6-8.2 HB3 LEU 70 - HA LYS 40 far 0 73 0 - 7.9-8.9 HB2 LYS 40 - HA GLU 43 far 0 45 0 - 8.0-8.4 HB3 LYS 40 - HA GLU 35 far 0 62 0 - 8.0-9.3 HB3 LEU 6 - HA GLU 35 far 0 34 0 - 8.5-9.0 HD2 LYS 73 - HA GLU 43 far 0 74 0 - 8.5-14.0 HB3 LEU 70 - HA GLU 43 far 0 53 0 - 8.7-9.4 HD2 LYS 47 - HA LYS 40 far 0 100 0 - 9.0-11.4 HD2 LYS 24 - HA ARG 91 far 0 63 0 - 9.1-13.1 HD3 LYS 24 - HA ARG 91 far 0 63 0 - 9.2-12.9 HD3 LYS 47 - HA LYS 40 far 0 100 0 - 9.3-10.7 HD2 LYS 73 - HA LYS 40 far 0 96 0 - 9.7-14.7 HD3 LYS 73 - HA GLU 43 far 0 72 0 - 9.8-14.0 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 2.7-3.4 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 - 6.9-7.7 HB2 LEU 6 - HA GLU 35 far 0 49 0 - 9.6-10.1 QG2 THR 34 - HA LYS 40 far 0 95 0 - 9.7-10.2 HG2 LYS 40 - HA GLU 35 far 0 62 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 1773 from cnoeabs.peaks (1.36, 3.86, 58.99 ppm; 3.89 A increased from 3.66 A): 3 out of 15 assignments used, quality = 1.00: * HG3 LYS 40 + HA LYS 40 OK 100 100 100 100 3.4-3.8 3.8=100 HG2 LYS 94 + HA ARG 91 OK 34 56 75 80 2.0-4.5 4209=20, 2.9/4196=18...(13) HG3 LYS 94 + HA ARG 91 OK 25 54 60 78 2.0-5.8 2.9/4196=18, 1.8/4209=17...(13) HG2 LYS 39 - HA LYS 40 far 0 97 0 - 4.5-6.0 HG2 LYS 39 - HA GLU 43 far 0 76 0 - 5.6-7.2 QB ALA 67 - HA GLU 35 far 0 49 0 - 5.8-6.4 HB2 LEU 70 - HA GLU 35 far 0 59 0 - 6.0-6.6 QB ALA 89 - HA ARG 91 far 0 56 0 - 6.5-6.7 HG2 LYS 39 - HA GLU 35 far 0 56 0 - 6.9-8.0 HG12 ILE 8 - HA GLU 35 far 0 61 0 - 7.2-8.1 QB ALA 25 - HA ARG 91 far 0 56 0 - 7.4-8.1 HG3 LYS 40 - HA GLU 43 far 0 82 0 - 7.4-8.3 HG3 LYS 40 - HA GLU 35 far 0 62 0 - 8.4-10.3 HB2 LEU 70 - HA LYS 40 far 0 99 0 - 9.0-10.1 HB2 LEU 70 - HA GLU 43 far 0 79 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 1774 from cnoeabs.peaks (1.46, 3.86, 58.99 ppm; 3.31 A): 3 out of 24 assignments used, quality = 0.91: HG3 ARG 91 + HA ARG 91 OK 63 63 100 99 2.5-3.5 4.0=57, 4061/3.6=28...(22) HB2 ARG 91 + HA ARG 91 OK 54 54 100 100 2.3-2.4 3.0=100 HB2 LEU 38 + HA GLU 35 OK 50 59 100 84 2.8-3.5 1627=33, 1.8/1635=27...(11) HG3 LYS 39 - HA LYS 40 far 0 88 0 - 3.6-6.3 HG LEU 38 - HA GLU 35 far 0 61 0 - 4.0-4.7 ! HD2 LYS 40 - HA LYS 40 far 0 100 0 - 4.3-4.8 HD3 LYS 40 - HA LYS 40 far 0 100 0 - 4.7-5.4 HG2 LYS 47 - HA GLU 43 far 0 61 0 - 4.8-6.7 HG3 LYS 66 - HA GLU 35 far 0 42 0 - 5.6-7.0 HG3 LYS 39 - HA GLU 43 far 0 66 0 - 5.6-7.5 HG13 ILE 76 - HA GLU 43 far 0 59 0 - 5.8-6.4 HG3 LYS 39 - HA GLU 35 far 0 48 0 - 6.7-8.3 HG2 LYS 66 - HA GLU 35 far 0 44 0 - 6.9-8.2 HB2 LEU 38 - HA LYS 40 far 0 99 0 - 7.2-8.1 HD2 LYS 40 - HA GLU 35 far 0 62 0 - 8.6-10.3 HD3 LYS 40 - HA GLU 35 far 0 62 0 - 8.8-11.2 HG LEU 57 - HA ARG 91 far 0 35 0 - 8.9-9.4 HG2 LYS 47 - HA LYS 40 far 0 82 0 - 9.1-10.4 QB ALA 22 - HA ARG 91 far 0 46 0 - 9.1-9.6 HD2 LYS 40 - HA GLU 43 far 0 82 0 - 9.2-10.1 HG LEU 38 - HA LYS 40 far 0 100 0 - 9.3-9.5 HD3 LYS 40 - HA GLU 43 far 0 82 0 - 9.5-10.3 HG2 LYS 73 - HA GLU 35 far 0 43 0 - 9.9-11.2 HB2 LEU 38 - HA GLU 43 far 0 79 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 1775 from cnoeabs.peaks (1.47, 3.86, 58.99 ppm; 3.31 A): 3 out of 25 assignments used, quality = 0.91: HG3 ARG 91 + HA ARG 91 OK 62 63 100 99 2.5-3.5 4.0=57, 4061/3.6=28...(22) HB2 ARG 91 + HA ARG 91 OK 55 55 100 100 2.3-2.4 3.0=100 HB2 LEU 38 + HA GLU 35 OK 49 59 100 84 2.8-3.5 1627=32, 1.8/1635=27...(11) HG3 LYS 39 - HA LYS 40 far 0 87 0 - 3.6-6.3 HG LEU 38 - HA GLU 35 far 0 61 0 - 4.0-4.7 HD2 LYS 40 - HA LYS 40 far 0 100 0 - 4.3-4.8 ! HD3 LYS 40 - HA LYS 40 far 0 100 0 - 4.7-5.4 HG2 LYS 47 - HA GLU 43 far 0 62 0 - 4.8-6.7 HG3 LYS 66 - HA GLU 35 far 0 43 0 - 5.6-7.0 HG3 LYS 39 - HA GLU 43 far 0 65 0 - 5.6-7.5 HG13 ILE 76 - HA GLU 43 far 0 58 0 - 5.8-6.4 HG3 LYS 39 - HA GLU 35 far 0 47 0 - 6.7-8.3 HG2 LYS 66 - HA GLU 35 far 0 45 0 - 6.9-8.2 HB2 LEU 38 - HA LYS 40 far 0 99 0 - 7.2-8.1 HD2 LYS 40 - HA GLU 35 far 0 62 0 - 8.6-10.3 HD3 LYS 40 - HA GLU 35 far 0 62 0 - 8.8-11.2 HG LEU 57 - HA ARG 91 far 0 37 0 - 8.9-9.4 HG2 LYS 47 - HA LYS 40 far 0 84 0 - 9.1-10.4 QB ALA 22 - HA ARG 91 far 0 45 0 - 9.1-9.6 HD2 LYS 40 - HA GLU 43 far 0 82 0 - 9.2-10.1 HG3 LYS 33 - HA GLU 35 far 0 30 0 - 9.2-9.3 HG LEU 38 - HA LYS 40 far 0 100 0 - 9.3-9.5 HD3 LYS 40 - HA GLU 43 far 0 82 0 - 9.5-10.3 HG2 LYS 73 - HA GLU 35 far 0 44 0 - 9.9-11.2 HB2 LEU 38 - HA GLU 43 far 0 79 0 - 9.9-11.3 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 - 6.8-7.0 H LYS 66 - HA GLU 35 far 0 50 0 - 7.5-8.7 H TYR 41 - HA GLU 35 far 0 62 0 - 7.5-8.1 HE ARG 30 - HA LYS 40 far 0 70 0 - 8.8-11.7 H GLU 99 - HA ARG 91 far 0 46 0 - 9.6-10.1 H SER 9 - HA GLU 35 far 0 58 0 - 10.0-10.9 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 3.5-3.7 6692=39, 6683/3.6=30...(10) H GLU 43 + HA GLU 43 OK 82 82 100 100 2.8-2.8 2.9=100 H ASP 36 + HA GLU 35 OK 60 60 100 100 3.5-3.5 3.6=89, 6558/3.0=52...(14) H PHE 96 - HA ARG 91 far 0 57 0 - 6.0-6.6 H SER 97 - HA ARG 91 far 0 53 0 - 7.5-8.2 H ASP 36 - HA LYS 40 far 0 99 0 - 8.1-8.5 H LYS 68 - HA GLU 35 far 0 60 0 - 8.7-9.5 H GLU 43 - HA GLU 35 far 0 62 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 1780 from cnoeabs.peaks (1.91, 3.86, 58.99 ppm; 3.12 A): 1 out of 14 assignments used, quality = 0.82: HB2 GLU 43 + HA GLU 43 OK 82 82 100 100 2.4-2.6 3.0=100 HB2 LYS 94 - HA ARG 91 poor 13 60 35 61 2.8-4.9 1.8/4196=14...(11) ! HB2 GLU 43 - HA LYS 40 far 0 100 0 - 4.5-5.0 HB VAL 32 - HA GLU 35 far 0 36 0 - 6.2-6.6 HG LEU 42 - HA LYS 40 far 0 99 0 - 6.4-6.8 HG LEU 42 - HA GLU 43 far 0 79 0 - 6.5-6.6 HB3 LYS 47 - HA GLU 43 far 0 72 0 - 6.8-7.6 HB2 LYS 33 - HA GLU 35 far 0 58 0 - 7.8-8.1 HG LEU 42 - HA GLU 35 far 0 59 0 - 7.9-8.5 HB ILE 8 - HA GLU 35 far 0 58 0 - 8.2-9.2 HB2 GLU 17 - HA ARG 91 far 0 38 0 - 8.5-9.3 HB3 LYS 33 - HA GLU 35 far 0 59 0 - 8.7-8.9 HG3 GLU 88 - HA ARG 91 far 0 35 0 - 8.7-9.6 HB VAL 54 - HA GLU 43 far 0 69 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 1781 from cnoeabs.peaks (2.06, 3.86, 58.99 ppm; 2.98 A): 3 out of 14 assignments used, quality = 0.95: HB3 GLU 43 + HA GLU 43 OK 82 82 100 100 3.0-3.0 3.0=97, 6694/2.9=45...(26) HB3 GLU 35 + HA GLU 35 OK 55 55 100 100 2.4-2.6 3.0=97, 6551/3.0=37...(20) HB3 LEU 38 + HA GLU 35 OK 34 60 90 63 2.6-3.5 1635=24, 1.8/1627=22...(7) ! HB3 GLU 43 - HA LYS 40 far 10 100 10 - 2.9-3.9 QE MET 21 - HA ARG 91 far 0 39 0 - 4.4-5.3 HB2 MET 74 - HA GLU 43 far 0 82 0 - 4.9-5.8 HB2 MET 21 - HA ARG 91 far 0 62 0 - 7.0-7.8 HB3 GLU 88 - HA ARG 91 far 0 63 0 - 7.2-7.6 HB3 LEU 38 - HA LYS 40 far 0 99 0 - 7.3-8.2 HG12 ILE 93 - HA ARG 91 far 0 48 0 - 7.8-8.3 HB2 GLU 98 - HA ARG 91 far 0 56 0 - 8.2-9.2 HB2 MET 74 - HA LYS 40 far 0 100 0 - 8.6-9.5 HB3 GLU 48 - HA GLU 43 far 0 73 0 - 9.0-9.8 HB3 GLU 98 - HA ARG 91 far 0 55 0 - 9.7-10.8 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 2.0-2.4 1585=70, 6615/6625=60...(22) HA LEU 42 - HB2 LYS 40 far 0 100 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 1783 from cnoeabs.peaks (7.63, 1.65, 31.76 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.1-2.3 6625=100, 6644/6646=47...(16) H GLU 44 - HB2 LYS 40 far 0 75 0 - 6.6-7.3 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 4 assignments used, quality = 1.00: * HA LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.8-3.0 3.0=100 HA LEU 38 - HB2 LYS 40 far 0 99 0 - 5.1-5.6 HA GLU 35 - HB2 LYS 40 far 0 90 0 - 7.4-8.0 HA GLU 43 - HB2 LYS 40 far 0 94 0 - 8.0-8.4 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 3.0-3.0 2.9=100 QG2 THR 34 - HB2 LYS 40 far 0 95 0 - 7.6-8.1 HB2 LEU 6 - HB2 LYS 40 far 0 90 0 - 9.9-10.8 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 5 assignments used, quality = 1.00: * HG3 LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.3-2.4 2.9=100 HG2 LYS 39 - HB2 LYS 40 far 0 97 0 - 6.3-7.2 HB3 ARG 30 - HB2 LYS 40 far 0 98 0 - 8.8-9.8 HB2 LEU 70 - HB2 LYS 40 far 0 99 0 - 9.3-10.3 QB ALA 67 - HB2 LYS 40 far 0 90 0 - 9.8-10.6 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: * HD2 LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.4-3.3 3.5=100 HD3 LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.4-3.7 3.5=100 HG3 LYS 39 - HB2 LYS 40 far 0 88 0 - 5.2-7.5 HB2 LEU 38 - HB2 LYS 40 far 0 99 0 - 6.2-6.5 HG LEU 38 - HB2 LYS 40 far 0 100 0 - 8.3-8.6 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 2.4-3.7 3.5=100 HD2 LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.4-3.3 3.5=100 HG3 LYS 39 - HB2 LYS 40 far 0 87 0 - 5.2-7.5 HB2 LEU 38 - HB2 LYS 40 far 0 99 0 - 6.2-6.5 HG LEU 38 - HB2 LYS 40 far 0 100 0 - 8.3-8.6 HG3 LYS 33 - HB2 LYS 40 far 0 59 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 1791 from cnoeabs.peaks (2.77, 1.65, 31.76 ppm; 5.88 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 40 + HB2 LYS 40 OK 100 100 100 100 3.2-4.8 4.8=100 HE3 LYS 40 + HB2 LYS 40 OK 100 100 100 100 3.4-4.9 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: HE2 LYS 40 + HB2 LYS 40 OK 100 100 100 100 3.2-4.8 4.8=100 * HE3 LYS 40 + HB2 LYS 40 OK 100 100 100 100 3.4-4.9 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 2.5-3.4 6646=100, 6644/6625=72...(17) HE ARG 30 - HB2 LYS 40 far 0 70 0 - 7.3-11.2 Violated in 0 structures by 0.00 A. Peak 1794 from cnoeabs.peaks (3.71, 1.68, 31.76 ppm; 3.86 A increased from 3.64 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 37 + HB3 LYS 40 OK 100 100 100 100 3.3-3.9 1585/1.8=62...(21) HA LEU 42 - HB3 LYS 40 far 0 100 0 - 8.3-8.4 Violated in 2 structures by 0.00 A. Peak 1795 from cnoeabs.peaks (7.63, 1.68, 31.76 ppm; 3.52 A increased from 3.31 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.8-3.4 6625/1.8=89, 4.1=65...(15) H GLU 44 - HB3 LYS 40 far 0 75 0 - 6.3-7.1 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 2.2-2.3 3.0=100 HA LEU 38 - HB3 LYS 40 far 0 99 0 - 6.5-7.1 HA GLU 43 - HB3 LYS 40 far 0 94 0 - 7.5-7.9 HA GLU 35 - HB3 LYS 40 far 0 90 0 - 8.0-9.3 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 2 assignments used, quality = 1.00: * HG2 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.4-2.6 2.9=100 QG2 THR 34 - HB3 LYS 40 far 0 95 0 - 8.1-9.2 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 3 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 - 6.1-7.7 HB2 LEU 70 - HB3 LYS 40 far 0 99 0 - 9.9-11.4 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 2.4-2.9 3.5=100 HD3 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.8-3.7 3.5=100 HG3 LYS 39 - HB3 LYS 40 far 0 88 0 - 4.9-7.4 HB2 LEU 38 - HB3 LYS 40 far 0 99 0 - 7.3-8.1 HG LEU 38 - HB3 LYS 40 far 0 100 0 - 9.5-10.2 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 5 assignments used, quality = 1.00: HD2 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.4-2.9 3.5=100 * HD3 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.8-3.7 3.5=100 HG3 LYS 39 - HB3 LYS 40 far 0 87 0 - 4.9-7.4 HB2 LEU 38 - HB3 LYS 40 far 0 99 0 - 7.3-8.1 HG LEU 38 - HB3 LYS 40 far 0 100 0 - 9.5-10.2 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: * HE2 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.1-4.7 4.8=100 HE3 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.2-4.6 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 2.2-4.6 4.8=100 HE2 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.1-4.7 4.8=100 Violated in 0 structures by 0.00 A. Peak 1805 from cnoeabs.peaks (7.82, 1.68, 31.76 ppm; 4.28 A increased from 3.81 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 41 + HB3 LYS 40 OK 100 100 100 100 3.9-4.1 6646/1.8=96, 4.3=96...(18) HE ARG 30 - HB3 LYS 40 far 0 70 0 - 8.5-11.4 Violated in 0 structures by 0.00 A. Peak 1806 from cnoeabs.peaks (7.63, 1.16, 24.65 ppm; 4.67 A increased from 4.39 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 40 + HG2 LYS 40 OK 100 100 100 100 4.2-4.5 6631=100, 6625/2.9=94...(17) H GLU 44 - HG2 LYS 40 far 0 75 0 - 5.0-5.5 Violated in 0 structures by 0.00 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 2.7-3.4 3.8=100 HA LEU 38 - HG2 LYS 40 far 0 99 0 - 6.5-7.8 HA GLU 43 - HG2 LYS 40 far 0 94 0 - 6.9-7.7 HB2 SER 85 - HG3 LYS 82 far 0 24 0 - 8.6-9.6 HA ALA 89 - HG3 LYS 82 far 0 26 0 - 9.6-10.2 HA GLU 35 - HG2 LYS 40 far 0 90 0 - 9.9-10.9 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 3.0-3.0 2.9=100 HB3 LYS 40 + HG2 LYS 40 OK 63 63 100 100 2.4-2.6 2.9=100 HD2 LYS 39 - HG2 LYS 40 far 0 99 0 - 7.5-9.9 HD3 LYS 39 - HG2 LYS 40 far 0 100 0 - 8.2-10.2 HD2 LYS 47 - HG2 LYS 40 far 0 70 0 - 8.6-11.5 HD3 LYS 47 - HG2 LYS 40 far 0 68 0 - 9.1-10.5 HG3 LYS 47 - HG2 LYS 40 far 0 87 0 - 9.6-11.2 HD3 LYS 68 - HG3 LYS 82 far 0 49 0 - 9.7-12.4 HB3 LEU 6 - HG2 LYS 40 far 0 100 0 - 9.7-11.4 HD2 LYS 68 - HG3 LYS 82 far 0 48 0 - 9.9-12.6 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 8 assignments used, quality = 1.00: * HB3 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.4-2.6 2.9=100 HB2 LYS 40 + HG2 LYS 40 OK 63 63 100 100 3.0-3.0 2.9=100 HD2 LYS 39 - HG2 LYS 40 far 0 79 0 - 7.5-9.9 HD2 LYS 47 - HG2 LYS 40 far 0 100 0 - 8.6-11.5 HD3 LYS 47 - HG2 LYS 40 far 0 100 0 - 9.1-10.5 HD3 LYS 68 - HG3 LYS 82 far 0 30 0 - 9.7-12.4 HB3 LEU 6 - HG2 LYS 40 far 0 68 0 - 9.7-11.4 HD2 LYS 68 - HG3 LYS 82 far 0 31 0 - 9.9-12.6 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 6 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 3.0-3.0 2.9=82, 3655/2.9=18...(11) HG2 LYS 39 - HG2 LYS 40 far 0 97 0 - 7.3-8.9 HB3 ARG 30 - HG2 LYS 40 far 0 98 0 - 8.1-10.1 QB ALA 67 - HG3 LYS 82 far 0 39 0 - 8.1-8.6 QB ALA 89 - HG3 LYS 82 far 0 41 0 - 8.5-9.0 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 9 assignments used, quality = 1.00: * HD2 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 82 + HG3 LYS 82 OK 49 49 100 100 3.0-3.0 2.9=100 HB3 LEU 64 - HG3 LYS 82 far 0 35 0 - 5.0-5.4 HG3 LYS 39 - HG2 LYS 40 far 0 88 0 - 6.3-9.0 HG LEU 64 - HG3 LYS 82 far 0 43 0 - 7.5-7.9 HB2 LEU 38 - HG2 LYS 40 far 0 99 0 - 8.4-9.4 HG2 LYS 47 - HG2 LYS 40 far 0 82 0 - 9.3-10.2 HG LEU 57 - HG3 LYS 82 far 0 25 0 - 9.3-9.9 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 9 assignments used, quality = 1.00: HD2 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 * HD3 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 82 + HG3 LYS 82 OK 48 48 100 100 3.0-3.0 2.9=100 HB3 LEU 64 - HG3 LYS 82 far 0 36 0 - 5.0-5.4 HG3 LYS 39 - HG2 LYS 40 far 0 87 0 - 6.3-9.0 HG LEU 64 - HG3 LYS 82 far 0 44 0 - 7.5-7.9 HB2 LEU 38 - HG2 LYS 40 far 0 99 0 - 8.4-9.4 HG2 LYS 47 - HG2 LYS 40 far 0 84 0 - 9.3-10.2 HG LEU 57 - HG3 LYS 82 far 0 26 0 - 9.3-9.9 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 2.1-3.7 4.0=100 HE3 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.1-3.6 4.0=100 HE2 LYS 82 + HG3 LYS 82 OK 32 32 100 100 2.5-3.7 3.9=100 HB3 ASP 61 - HG3 LYS 82 far 0 26 0 - 6.2-7.8 Violated in 0 structures by 0.00 A. Peak 1815 from cnoeabs.peaks (2.77, 1.16, 24.65 ppm; 4.16 A): 3 out of 4 assignments used, quality = 1.00: * HE3 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.1-3.6 4.0=100 HE2 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.1-3.7 4.0=100 HE2 LYS 82 + HG3 LYS 82 OK 31 31 100 100 2.5-3.7 3.9=100 HB3 ASP 61 - HG3 LYS 82 far 0 25 0 - 6.2-7.8 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 2 assignments used, quality = 1.00: * H TYR 41 + HG2 LYS 40 OK 100 100 100 100 3.3-4.3 6648=100, 6646/2.9=93...(17) HE ARG 30 - HG2 LYS 40 far 0 70 0 - 6.0-10.3 Violated in 0 structures by 0.00 A. Peak 1817 from cnoeabs.peaks (7.63, 1.36, 24.65 ppm; 4.44 A increased from 4.18 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 40 + HG3 LYS 40 OK 100 100 100 100 3.2-4.3 6625/2.9=91, 1795/2.9=80...(14) H GLU 98 - HG3 LYS 94 poor 14 61 40 58 3.7-6.9 7582/3.7=42...(7) H GLU 98 - HG2 LYS 94 far 0 65 0 - 5.0-6.8 H GLU 44 - HG3 LYS 40 far 0 75 0 - 5.3-6.2 Violated in 0 structures by 0.00 A. Peak 1818 from cnoeabs.peaks (3.86, 1.36, 24.65 ppm; 3.75 A increased from 3.53 A): 5 out of 13 assignments used, quality = 1.00: * HA LYS 40 + HG3 LYS 40 OK 100 100 100 100 3.4-3.8 3.8=97, 2.9/1817=40...(23) HA LYS 94 + HG2 LYS 94 OK 81 81 100 100 3.7-3.8 3.7=100 HA LYS 94 + HG3 LYS 94 OK 76 76 100 100 2.7-3.8 3.7=100 HA ARG 91 + HG2 LYS 94 OK 32 65 65 76 2.0-4.5 1773=19, 4021/7515=18...(12) HA ARG 91 + HG3 LYS 94 OK 28 61 60 75 2.0-5.8 4021/4.9=18, 4196/2.9=15...(13) HA LEU 38 - HG3 LYS 40 far 0 99 0 - 4.9-6.6 HA ALA 89 - HG3 LYS 94 far 0 43 0 - 7.1-10.8 HA ALA 89 - HG2 LYS 94 far 0 46 0 - 7.2-10.1 HA GLU 43 - HG3 LYS 40 far 0 94 0 - 7.4-8.3 HA ALA 22 - HG3 LYS 94 far 0 40 0 - 8.1-9.4 HA ALA 22 - HG2 LYS 94 far 0 43 0 - 8.3-10.1 HA GLU 35 - HG3 LYS 40 far 0 90 0 - 8.4-10.3 HA2 GLY 100 - HG3 LYS 94 far 0 76 0 - 10.0-13.1 Violated in 0 structures by 0.00 A. Peak 1819 from cnoeabs.peaks (1.65, 1.36, 24.65 ppm; 3.45 A): 4 out of 12 assignments used, quality = 1.00: * HB2 LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.3-2.4 2.9=100 HD2 LYS 94 + HG2 LYS 94 OK 67 67 100 100 2.5-3.0 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 0 46 0 - 4.7-7.1 HB3 ARG 91 - HG3 LYS 94 far 0 43 0 - 4.7-8.5 HD2 LYS 39 - HG3 LYS 40 far 0 99 0 - 7.9-9.8 HB3 LEU 6 - HG3 LYS 40 far 0 100 0 - 8.3-9.9 HD3 LYS 39 - HG3 LYS 40 far 0 100 0 - 8.7-9.9 HD2 LYS 47 - HG3 LYS 40 far 0 70 0 - 9.1-12.6 HD3 LYS 47 - HG3 LYS 40 far 0 68 0 - 9.6-11.7 HG3 LYS 47 - HG3 LYS 40 far 0 87 0 - 9.9-12.3 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 15 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 2.3-2.4 2.9=100 HB3 ARG 91 - HG2 LYS 94 far 0 81 0 - 4.7-7.1 HB3 ARG 91 - HG3 LYS 94 far 0 76 0 - 4.7-8.5 HD3 LYS 24 - HG3 LYS 94 far 0 71 0 - 6.9-12.7 HD3 LYS 90 - HG2 LYS 94 far 0 76 0 - 7.6-11.5 HD3 LYS 24 - HG2 LYS 94 far 0 76 0 - 7.9-12.3 HD2 LYS 39 - HG3 LYS 40 far 0 79 0 - 7.9-9.8 HD2 LYS 24 - HG3 LYS 94 far 0 72 0 - 7.9-12.5 HB3 LEU 6 - HG3 LYS 40 far 0 68 0 - 8.3-9.9 HD3 LYS 90 - HG3 LYS 94 far 0 71 0 - 8.4-12.2 HD2 LYS 24 - HG2 LYS 94 far 0 77 0 - 8.5-12.5 HD2 LYS 47 - HG3 LYS 40 far 0 100 0 - 9.1-12.6 HD3 LYS 47 - HG3 LYS 40 far 0 100 0 - 9.6-11.7 HB3 LEU 70 - HG3 LYS 40 far 0 73 0 - 10.0-11.2 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 QG2 THR 34 - HG3 LYS 40 far 0 95 0 - 8.2-9.7 HB2 LEU 6 - HG3 LYS 40 far 0 90 0 - 9.3-10.7 QG2 THR 31 - HG3 LYS 40 far 0 95 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 1822 from cnoeabs.peaks (1.36, 1.36, 24.65 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 40 + HG3 LYS 40 OK 100 100 - 100 HG2 LYS 94 + HG2 LYS 94 OK 69 69 - 100 HG3 LYS 94 + HG3 LYS 94 OK 62 62 - 100 Peak 1823 from cnoeabs.peaks (1.46, 1.36, 24.65 ppm; 2.93 A): 2 out of 16 assignments used, quality = 1.00: * HD2 LYS 40 + HG3 LYS 40 OK 99 100 100 99 2.5-3.0 3.0=97, 1.8/1844=23...(11) HD3 LYS 40 + HG3 LYS 40 OK 99 100 100 99 2.3-2.5 3.0=97, 1.8/1844=23...(12) HG3 ARG 91 - HG2 LYS 94 far 0 77 0 - 3.6-6.0 HG3 ARG 91 - HG3 LYS 94 far 0 72 0 - 3.6-7.6 HB2 ARG 91 - HG3 LYS 94 far 0 62 0 - 4.3-8.0 HB2 ARG 91 - HG2 LYS 94 far 0 67 0 - 4.3-6.5 HG3 LYS 39 - HG3 LYS 40 far 0 88 0 - 6.8-9.2 HB2 LEU 38 - HG3 LYS 40 far 0 99 0 - 6.9-8.5 QB ALA 22 - HG3 LYS 94 far 0 53 0 - 8.2-9.6 HG LEU 38 - HG3 LYS 40 far 0 100 0 - 8.5-10.1 QB ALA 22 - HG2 LYS 94 far 0 57 0 - 8.5-10.2 HG LEU 57 - HG3 LYS 94 far 0 41 0 - 8.9-12.2 HG LEU 57 - HG2 LYS 94 far 0 44 0 - 9.2-11.8 HB2 LEU 27 - HG3 LYS 94 far 0 75 0 - 9.4-11.1 HG2 LYS 47 - HG3 LYS 40 far 0 82 0 - 9.6-11.3 HB2 LEU 27 - HG2 LYS 94 far 0 79 0 - 9.9-11.6 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: HD2 LYS 40 + HG3 LYS 40 OK 99 100 100 99 2.5-3.0 3.0=97, 1.8/1844=23...(11) * HD3 LYS 40 + HG3 LYS 40 OK 99 100 100 99 2.3-2.5 3.0=97, 1.8/1844=23...(12) HG3 ARG 91 - HG2 LYS 94 far 0 76 0 - 3.6-6.0 HG3 ARG 91 - HG3 LYS 94 far 0 71 0 - 3.6-7.6 HB2 ARG 91 - HG3 LYS 94 far 0 64 0 - 4.3-8.0 HB2 ARG 91 - HG2 LYS 94 far 0 68 0 - 4.3-6.5 HG3 LYS 39 - HG3 LYS 40 far 0 87 0 - 6.8-9.2 HB2 LEU 38 - HG3 LYS 40 far 0 99 0 - 6.9-8.5 QB ALA 22 - HG3 LYS 94 far 0 52 0 - 8.2-9.6 HG LEU 38 - HG3 LYS 40 far 0 100 0 - 8.5-10.1 QB ALA 22 - HG2 LYS 94 far 0 55 0 - 8.5-10.2 HG LEU 57 - HG3 LYS 94 far 0 43 0 - 8.9-12.2 HG LEU 57 - HG2 LYS 94 far 0 46 0 - 9.2-11.8 HB2 LEU 27 - HG3 LYS 94 far 0 74 0 - 9.4-11.1 HG3 LYS 33 - HG3 LYS 40 far 0 59 0 - 9.6-11.3 HG2 LYS 47 - HG3 LYS 40 far 0 84 0 - 9.6-11.3 HB2 LEU 27 - HG2 LYS 94 far 0 79 0 - 9.9-11.6 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 2.3-4.1 4.0=100 HE3 LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.5-4.2 4.0=100 HB2 ASN 26 - HG3 LYS 94 far 0 49 0 - 9.9-13.1 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: HE2 LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.3-4.1 4.0=100 * HE3 LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.5-4.2 4.0=100 HB2 ASN 26 - HG3 LYS 94 far 0 47 0 - 9.9-13.1 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 5 assignments used, quality = 1.00: * H TYR 41 + HG3 LYS 40 OK 100 100 100 100 2.3-3.1 6649=100, 6646/2.9=99...(17) H GLU 99 - HG3 LYS 94 far 5 53 10 - 5.8-8.5 HE ARG 30 - HG3 LYS 40 far 3 70 5 - 5.7-8.8 H GLU 99 - HG2 LYS 94 far 0 57 0 - 6.6-8.3 H ASN 26 - HG3 LYS 94 far 0 68 0 - 9.2-11.5 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 4 assignments used, quality = 1.00: * H LYS 40 + HD2 LYS 40 OK 100 100 100 100 4.3-5.2 6625/3.5=98, 1795/3.5=93...(13) H LYS 40 + HD3 LYS 40 OK 100 100 100 100 4.5-5.8 6625/3.5=98, 1795/3.5=93...(14) H GLU 44 - HD3 LYS 40 far 0 75 0 - 7.2-8.0 H GLU 44 - HD2 LYS 40 far 0 75 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. Peak 1829 from cnoeabs.peaks (3.86, 1.46, 28.90 ppm; 4.44 A): 2 out of 12 assignments used, quality = 0.97: * HA LYS 40 + HD2 LYS 40 OK 95 100 95 100 4.3-4.8 5.2=61, 3.8/1823=38...(23) HA ARG 91 + HB2 ARG 91 OK 32 32 100 100 2.3-2.4 3.0=100 HA LYS 40 - HD3 LYS 40 far 15 100 15 - 4.7-5.4 HA LEU 38 - HD3 LYS 40 far 0 99 0 - 6.4-8.3 HA LEU 38 - HD2 LYS 40 far 0 99 0 - 6.5-8.3 HA ALA 89 - HB2 ARG 91 far 0 22 0 - 6.6-7.1 HA LYS 94 - HB2 ARG 91 far 0 42 0 - 8.0-8.3 HB2 SER 85 - HB2 ARG 91 far 0 20 0 - 8.4-9.8 HA GLU 35 - HD2 LYS 40 far 0 90 0 - 8.6-10.3 HA GLU 35 - HD3 LYS 40 far 0 89 0 - 8.8-11.2 HA GLU 43 - HD2 LYS 40 far 0 94 0 - 9.2-10.1 HA GLU 43 - HD3 LYS 40 far 0 94 0 - 9.5-10.3 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 14 assignments used, quality = 1.00: * HB2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.4-3.3 3.5=100 HB2 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.4-3.7 3.5=100 HB3 LYS 40 + HD2 LYS 40 OK 63 63 100 100 2.4-2.9 3.5=100 HB3 LYS 40 + HD3 LYS 40 OK 63 63 100 100 2.8-3.7 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 poor 10 33 30 - 4.4-8.3 HD3 LYS 68 - HD2 LYS 82 far 0 99 0 - 7.6-10.5 HD2 LYS 68 - HD2 LYS 82 far 0 99 0 - 7.9-10.6 HD2 LYS 39 - HD2 LYS 40 far 0 99 0 - 7.9-10.4 HD2 LYS 39 - HD3 LYS 40 far 0 99 0 - 8.5-11.4 HG2 LYS 68 - HD2 LYS 82 far 0 99 0 - 8.5-9.7 HD3 LYS 39 - HD2 LYS 40 far 0 100 0 - 8.9-10.8 HD3 LYS 39 - HD3 LYS 40 far 0 100 0 - 9.6-11.3 HB3 LEU 6 - HD3 LYS 40 far 0 100 0 - 9.6-11.5 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 12 assignments used, quality = 1.00: * HB3 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.4-2.9 3.5=100 HB3 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.8-3.7 3.5=100 HB2 LYS 40 + HD2 LYS 40 OK 63 63 100 100 2.4-3.3 3.5=100 HB2 LYS 40 + HD3 LYS 40 OK 63 63 100 100 2.4-3.7 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 far 0 39 0 - 6.1-7.4 HD3 LYS 68 - HD2 LYS 82 far 0 72 0 - 7.6-10.5 HD2 LYS 68 - HD2 LYS 82 far 0 74 0 - 7.9-10.6 HD2 LYS 39 - HD2 LYS 40 far 0 79 0 - 7.9-10.4 HD2 LYS 39 - HD3 LYS 40 far 0 79 0 - 8.5-11.4 HG2 PRO 86 - HB2 ARG 91 far 0 40 0 - 9.4-11.2 HB3 LEU 6 - HD3 LYS 40 far 0 67 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 1832 from cnoeabs.peaks (1.16, 1.46, 28.90 ppm; 3.26 A): 3 out of 8 assignments used, quality = 1.00: * HG2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 82 + HD2 LYS 82 OK 91 91 100 100 3.0-3.0 2.9=100 QG2 THR 34 - HD2 LYS 40 far 0 95 0 - 7.1-9.0 QG2 THR 34 - HD3 LYS 40 far 0 95 0 - 7.7-9.5 QG2 THR 31 - HD3 LYS 40 far 0 95 0 - 9.1-11.0 HB2 LEU 57 - HD2 LYS 82 far 0 60 0 - 9.1-9.8 QG2 THR 31 - HD2 LYS 40 far 0 95 0 - 10.0-11.8 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 12 assignments used, quality = 1.00: * HG3 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.3-2.5 3.0=100 HB2 LYS 82 + HD2 LYS 82 OK 93 95 100 98 2.3-2.5 3.5=59, 3655/1.8=29...(21) HG3 LYS 94 - HB2 ARG 91 far 0 33 0 - 4.3-8.0 HG2 LYS 94 - HB2 ARG 91 far 0 34 0 - 4.3-6.5 QB ALA 89 - HB2 ARG 91 far 0 34 0 - 6.5-6.9 QB ALA 67 - HD2 LYS 82 far 0 88 0 - 6.9-8.3 HB3 ARG 30 - HD3 LYS 40 far 0 98 0 - 8.1-9.8 HG2 LYS 39 - HD2 LYS 40 far 0 97 0 - 8.5-9.5 HG2 LYS 39 - HD3 LYS 40 far 0 97 0 - 8.8-10.4 QB ALA 25 - HB2 ARG 91 far 0 34 0 - 9.4-10.0 HB3 ARG 30 - HD2 LYS 40 far 0 98 0 - 9.4-10.9 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: HE3 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 82 + HD2 LYS 82 OK 76 76 100 100 2.2-3.0 3.0=100 HB3 ASP 61 - HD2 LYS 82 far 0 64 0 - 3.7-5.5 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 2.3-3.0 3.0=100 HE2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 82 + HD2 LYS 82 OK 74 74 100 100 2.2-3.0 3.0=100 HB3 ASP 61 - HD2 LYS 82 far 0 62 0 - 3.7-5.5 Violated in 0 structures by 0.00 A. Peak 1838 from cnoeabs.peaks (7.82, 1.46, 28.90 ppm; 6.50 A): 2 out of 5 assignments used, quality = 1.00: * H TYR 41 + HD2 LYS 40 OK 100 100 100 100 4.5-5.4 6646/3.5=100...(16) H TYR 41 + HD3 LYS 40 OK 100 100 100 100 4.5-5.3 6646/3.5=100...(15) HE ARG 30 - HD3 LYS 40 lone 4 69 35 16 5.8-10.2 8894/8866=8, 14601/8866=7 HE ARG 30 - HD2 LYS 40 far 0 70 0 - 7.0-10.7 H LYS 66 - HD2 LYS 82 far 0 89 0 - 8.2-9.2 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 4 assignments used, quality = 1.00: * H LYS 40 + HD3 LYS 40 OK 100 100 100 100 4.5-5.8 6625/3.5=99, 1795/3.5=96...(14) H LYS 40 + HD2 LYS 40 OK 100 100 100 100 4.3-5.2 6625/3.5=99, 1795/3.5=96...(13) H GLU 44 - HD3 LYS 40 far 0 75 0 - 7.2-8.0 H GLU 44 - HD2 LYS 40 far 0 75 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. Peak 1840 from cnoeabs.peaks (3.86, 1.47, 28.90 ppm; 4.38 A): 2 out of 12 assignments used, quality = 0.97: HA LYS 40 + HD2 LYS 40 OK 95 100 95 100 4.3-4.8 5.2=59, 3.8/1824=37...(23) HA ARG 91 + HB2 ARG 91 OK 34 34 100 100 2.3-2.4 3.0=100 ! HA LYS 40 - HD3 LYS 40 far 5 100 5 - 4.7-5.4 HA LEU 38 - HD3 LYS 40 far 0 99 0 - 6.4-8.3 HA LEU 38 - HD2 LYS 40 far 0 99 0 - 6.5-8.3 HA ALA 89 - HB2 ARG 91 far 0 23 0 - 6.6-7.1 HA LYS 94 - HB2 ARG 91 far 0 44 0 - 8.0-8.3 HB2 SER 85 - HB2 ARG 91 far 0 21 0 - 8.4-9.8 HA GLU 35 - HD2 LYS 40 far 0 89 0 - 8.6-10.3 HA GLU 35 - HD3 LYS 40 far 0 90 0 - 8.8-11.2 HA GLU 43 - HD2 LYS 40 far 0 94 0 - 9.2-10.1 HA GLU 43 - HD3 LYS 40 far 0 94 0 - 9.5-10.3 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 14 assignments used, quality = 1.00: * HB2 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.4-3.7 3.5=100 HB2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.4-3.3 3.5=100 HB3 LYS 40 + HD3 LYS 40 OK 63 63 100 100 2.8-3.7 3.5=100 HB3 LYS 40 + HD2 LYS 40 OK 63 63 100 100 2.4-2.9 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 15 34 45 - 4.4-8.3 HD3 LYS 68 - HD2 LYS 82 far 0 99 0 - 7.6-10.5 HD2 LYS 68 - HD2 LYS 82 far 0 99 0 - 7.9-10.6 HD2 LYS 39 - HD2 LYS 40 far 0 99 0 - 7.9-10.4 HD2 LYS 39 - HD3 LYS 40 far 0 99 0 - 8.5-11.4 HG2 LYS 68 - HD2 LYS 82 far 0 99 0 - 8.5-9.7 HD3 LYS 39 - HD2 LYS 40 far 0 100 0 - 8.9-10.8 HD3 LYS 39 - HD3 LYS 40 far 0 100 0 - 9.6-11.3 HB3 LEU 6 - HD3 LYS 40 far 0 100 0 - 9.6-11.5 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 12 assignments used, quality = 1.00: HB3 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.4-2.9 3.5=100 * HB3 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.8-3.7 3.5=100 HB2 LYS 40 + HD3 LYS 40 OK 63 63 100 100 2.4-3.7 3.5=100 HB2 LYS 40 + HD2 LYS 40 OK 63 63 100 100 2.4-3.3 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 far 0 40 0 - 6.1-7.4 HD3 LYS 68 - HD2 LYS 82 far 0 71 0 - 7.6-10.5 HD2 LYS 68 - HD2 LYS 82 far 0 73 0 - 7.9-10.6 HD2 LYS 39 - HD2 LYS 40 far 0 79 0 - 7.9-10.4 HD2 LYS 39 - HD3 LYS 40 far 0 79 0 - 8.5-11.4 HG2 PRO 86 - HB2 ARG 91 far 0 42 0 - 9.4-11.2 HB3 LEU 6 - HD3 LYS 40 far 0 68 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 1843 from cnoeabs.peaks (1.16, 1.47, 28.90 ppm; 3.20 A): 3 out of 8 assignments used, quality = 1.00: * HG2 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 82 + HD2 LYS 82 OK 90 90 100 100 3.0-3.0 2.9=100 QG2 THR 34 - HD2 LYS 40 far 0 95 0 - 7.1-9.0 QG2 THR 34 - HD3 LYS 40 far 0 95 0 - 7.7-9.5 QG2 THR 31 - HD3 LYS 40 far 0 95 0 - 9.1-11.0 HB2 LEU 57 - HD2 LYS 82 far 0 60 0 - 9.1-9.8 QG2 THR 31 - HD2 LYS 40 far 0 95 0 - 10.0-11.8 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 12 assignments used, quality = 1.00: * HG3 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.3-2.5 3.0=100 HG3 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LYS 82 + HD2 LYS 82 OK 92 94 100 98 2.3-2.5 3.5=58, 3655/1.8=29...(21) HG3 LYS 94 - HB2 ARG 91 far 0 34 0 - 4.3-8.0 HG2 LYS 94 - HB2 ARG 91 far 0 36 0 - 4.3-6.5 QB ALA 89 - HB2 ARG 91 far 0 36 0 - 6.5-6.9 QB ALA 67 - HD2 LYS 82 far 0 88 0 - 6.9-8.3 HB3 ARG 30 - HD3 LYS 40 far 0 98 0 - 8.1-9.8 HG2 LYS 39 - HD2 LYS 40 far 0 97 0 - 8.5-9.5 HG2 LYS 39 - HD3 LYS 40 far 0 97 0 - 8.8-10.4 QB ALA 25 - HB2 ARG 91 far 0 36 0 - 9.4-10.0 HB3 ARG 30 - HD2 LYS 40 far 0 98 0 - 9.4-10.9 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 2.4-3.0 3.0=100 HE2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 82 + HD2 LYS 82 OK 75 75 100 100 2.2-3.0 3.0=100 HB3 ASP 61 - HD2 LYS 82 far 0 64 0 - 3.7-5.5 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: HE2 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 * HE3 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 82 + HD2 LYS 82 OK 73 73 100 100 2.2-3.0 3.0=100 HB3 ASP 61 - HD2 LYS 82 far 0 62 0 - 3.7-5.5 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 4.5-5.3 6646/3.5=100...(15) H TYR 41 + HD2 LYS 40 OK 100 100 100 100 4.5-5.4 6646/3.5=100...(16) HE ARG 30 - HD3 LYS 40 lone 4 70 35 16 5.8-10.2 8894/8866=8, 14601/8866=7 HE ARG 30 - HD2 LYS 40 far 0 69 0 - 7.0-10.7 H LYS 66 - HD2 LYS 82 far 0 89 0 - 8.2-9.2 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 14 assignments used, quality = 1.00: * HB2 LYS 40 + HE2 LYS 40 OK 100 100 100 100 3.2-4.8 4.8=100 HB2 LYS 40 + HE3 LYS 40 OK 100 100 100 100 3.4-4.9 4.8=100 HB3 LYS 40 + HE2 LYS 40 OK 63 63 100 100 2.1-4.7 4.8=100 HB3 LYS 40 + HE3 LYS 40 OK 63 63 100 100 2.2-4.6 4.8=100 HD2 LYS 39 - HE2 LYS 40 far 0 99 0 - 7.4-12.4 HD3 LYS 39 - HE2 LYS 40 far 0 100 0 - 8.3-13.0 HD2 LYS 39 - HE3 LYS 40 far 0 99 0 - 8.4-12.0 HD2 LYS 47 - HE2 LYS 40 far 0 70 0 - 9.1-14.8 HD3 LYS 39 - HE3 LYS 40 far 0 100 0 - 9.2-12.4 HD2 LYS 68 - HE2 LYS 82 far 0 38 0 - 9.3-12.9 HB3 LEU 6 - HE3 LYS 40 far 0 100 0 - 9.5-13.6 HD2 LYS 47 - HE3 LYS 40 far 0 69 0 - 9.7-13.6 HD3 LYS 68 - HE2 LYS 82 far 0 38 0 - 9.8-11.9 HD3 LYS 47 - HE2 LYS 40 far 0 68 0 - 9.8-13.3 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 12 assignments used, quality = 1.00: * HB3 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.1-4.7 4.8=100 HB3 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.2-4.6 4.8=100 HB2 LYS 40 + HE2 LYS 40 OK 63 63 100 100 3.2-4.8 4.8=100 HB2 LYS 40 + HE3 LYS 40 OK 63 63 100 100 3.4-4.9 4.8=100 HD2 LYS 39 - HE2 LYS 40 far 0 79 0 - 7.4-12.4 HD2 LYS 39 - HE3 LYS 40 far 0 79 0 - 8.4-12.0 HD2 LYS 47 - HE2 LYS 40 far 0 100 0 - 9.1-14.8 HD2 LYS 68 - HE2 LYS 82 far 0 24 0 - 9.3-12.9 HB3 LEU 6 - HE3 LYS 40 far 0 67 0 - 9.5-13.6 HD2 LYS 47 - HE3 LYS 40 far 0 100 0 - 9.7-13.6 HD3 LYS 68 - HE2 LYS 82 far 0 23 0 - 9.8-11.9 HD3 LYS 47 - HE2 LYS 40 far 0 100 0 - 9.8-13.3 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 7 assignments used, quality = 1.00: * HG2 LYS 40 + HE2 LYS 40 OK 99 100 100 99 2.1-3.7 4.0=99 HG2 LYS 40 + HE3 LYS 40 OK 99 100 100 99 2.1-3.6 4.0=99 HG3 LYS 82 + HE2 LYS 82 OK 31 31 100 100 2.5-3.7 3.9=100 QG2 THR 34 - HE3 LYS 40 far 0 95 0 - 8.4-10.6 QG2 THR 34 - HE2 LYS 40 far 0 95 0 - 8.6-10.4 QG2 THR 31 - HE3 LYS 40 far 0 95 0 - 8.9-12.8 QG2 THR 31 - HE2 LYS 40 far 0 95 0 - 9.4-12.9 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 8 assignments used, quality = 1.00: * HG3 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.3-4.1 4.0=100 HG3 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.5-4.2 4.0=100 HB2 LYS 82 + HE2 LYS 82 OK 34 34 100 100 3.0-4.1 3657/1.8=58, 4.8=57...(15) HB3 ARG 30 - HE3 LYS 40 far 0 98 0 - 6.9-12.1 HG2 LYS 39 - HE3 LYS 40 far 0 97 0 - 8.2-11.1 HG2 LYS 39 - HE2 LYS 40 far 0 97 0 - 8.2-11.6 HB3 ARG 30 - HE2 LYS 40 far 0 98 0 - 8.4-11.9 QB ALA 67 - HE2 LYS 82 far 0 30 0 - 9.1-10.0 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 11 assignments used, quality = 1.00: HD3 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 82 + HE2 LYS 82 OK 38 38 100 100 2.2-3.0 3.0=100 HB3 LEU 64 - HE2 LYS 82 far 0 27 0 - 5.7-6.4 HG3 LYS 39 - HE2 LYS 40 far 0 88 0 - 6.6-11.5 HG3 LYS 39 - HE3 LYS 40 far 0 88 0 - 6.8-11.4 HG LEU 64 - HE2 LYS 82 far 0 34 0 - 7.1-8.4 HB2 LEU 38 - HE3 LYS 40 far 0 99 0 - 9.4-11.3 HB2 LEU 38 - HE2 LYS 40 far 0 99 0 - 9.5-11.2 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 13 assignments used, quality = 1.00: * HD3 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 82 + HE2 LYS 82 OK 38 38 100 100 2.2-3.0 3.0=100 HB3 LEU 64 - HE2 LYS 82 far 0 28 0 - 5.7-6.4 HG3 LYS 39 - HE2 LYS 40 far 0 87 0 - 6.6-11.5 HG3 LYS 39 - HE3 LYS 40 far 0 87 0 - 6.8-11.4 HG LEU 64 - HE2 LYS 82 far 0 34 0 - 7.1-8.4 HG3 LYS 33 - HE2 LYS 40 far 0 59 0 - 9.2-12.9 HG3 LYS 33 - HE3 LYS 40 far 0 59 0 - 9.3-12.8 HB2 LEU 38 - HE3 LYS 40 far 0 99 0 - 9.4-11.3 HB2 LEU 38 - HE2 LYS 40 far 0 99 0 - 9.5-11.2 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; 6.50 A increased from 5.98 A): 2 out of 4 assignments used, quality = 1.00: * H TYR 41 + HE2 LYS 40 OK 100 100 100 100 5.1-6.8 6646/4.8=94, 6648/4.0=89...(9) H TYR 41 + HE3 LYS 40 OK 95 100 95 100 4.8-6.8 6646/4.8=94, 6648/4.0=89...(10) HE ARG 30 - HE3 LYS 40 far 7 69 10 - 6.4-11.2 HE ARG 30 - HE2 LYS 40 far 3 70 5 - 5.7-11.5 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 12 assignments used, quality = 1.00: * HB2 LYS 40 + HE3 LYS 40 OK 100 100 100 100 3.4-4.9 4.8=100 HB2 LYS 40 + HE2 LYS 40 OK 100 100 100 100 3.2-4.8 4.8=100 HB3 LYS 40 + HE3 LYS 40 OK 63 63 100 100 2.2-4.6 4.8=100 HB3 LYS 40 + HE2 LYS 40 OK 63 63 100 100 2.1-4.7 4.8=100 HD2 LYS 39 - HE2 LYS 40 far 0 99 0 - 7.4-12.4 HD3 LYS 39 - HE2 LYS 40 far 0 100 0 - 8.3-13.0 HD2 LYS 39 - HE3 LYS 40 far 0 99 0 - 8.4-12.0 HD2 LYS 47 - HE2 LYS 40 far 0 69 0 - 9.1-14.8 HD3 LYS 39 - HE3 LYS 40 far 0 100 0 - 9.2-12.4 HB3 LEU 6 - HE3 LYS 40 far 0 100 0 - 9.5-13.6 HD2 LYS 47 - HE3 LYS 40 far 0 70 0 - 9.7-13.6 HD3 LYS 47 - HE2 LYS 40 far 0 67 0 - 9.8-13.3 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 10 assignments used, quality = 1.00: * HB3 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.2-4.6 4.8=100 HB3 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.1-4.7 4.8=100 HB2 LYS 40 + HE3 LYS 40 OK 63 63 100 100 3.4-4.9 4.8=100 HB2 LYS 40 + HE2 LYS 40 OK 63 63 100 100 3.2-4.8 4.8=100 HD2 LYS 39 - HE2 LYS 40 far 0 79 0 - 7.4-12.4 HD2 LYS 39 - HE3 LYS 40 far 0 79 0 - 8.4-12.0 HD2 LYS 47 - HE2 LYS 40 far 0 100 0 - 9.1-14.8 HB3 LEU 6 - HE3 LYS 40 far 0 68 0 - 9.5-13.6 HD2 LYS 47 - HE3 LYS 40 far 0 100 0 - 9.7-13.6 HD3 LYS 47 - HE2 LYS 40 far 0 100 0 - 9.8-13.3 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 6 assignments used, quality = 1.00: * HG2 LYS 40 + HE3 LYS 40 OK 99 100 100 99 2.1-3.6 4.0=99 HG2 LYS 40 + HE2 LYS 40 OK 99 100 100 99 2.1-3.7 4.0=99 QG2 THR 34 - HE3 LYS 40 far 0 95 0 - 8.4-10.6 QG2 THR 34 - HE2 LYS 40 far 0 95 0 - 8.6-10.4 QG2 THR 31 - HE3 LYS 40 far 0 95 0 - 8.9-12.8 QG2 THR 31 - HE2 LYS 40 far 0 95 0 - 9.4-12.9 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 2.5-4.2 4.0=100 HG3 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.3-4.1 4.0=100 HB3 ARG 30 - HE3 LYS 40 far 0 98 0 - 6.9-12.1 HG2 LYS 39 - HE3 LYS 40 far 0 97 0 - 8.2-11.1 HG2 LYS 39 - HE2 LYS 40 far 0 97 0 - 8.2-11.6 HB3 ARG 30 - HE2 LYS 40 far 0 98 0 - 8.4-11.9 Violated in 0 structures by 0.00 A. Peak 1867 from cnoeabs.peaks (1.46, 2.77, 41.80 ppm; 3.26 A): 4 out of 8 assignments used, quality = 1.00: * HD2 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 39 - HE2 LYS 40 far 0 88 0 - 6.6-11.5 HG3 LYS 39 - HE3 LYS 40 far 0 88 0 - 6.8-11.4 HB2 LEU 38 - HE3 LYS 40 far 0 99 0 - 9.4-11.3 HB2 LEU 38 - HE2 LYS 40 far 0 99 0 - 9.5-11.2 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 10 assignments used, quality = 1.00: HD2 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 39 - HE2 LYS 40 far 0 87 0 - 6.6-11.5 HG3 LYS 39 - HE3 LYS 40 far 0 87 0 - 6.8-11.4 HG3 LYS 33 - HE2 LYS 40 far 0 59 0 - 9.2-12.9 HG3 LYS 33 - HE3 LYS 40 far 0 59 0 - 9.3-12.8 HB2 LEU 38 - HE3 LYS 40 far 0 99 0 - 9.4-11.3 HB2 LEU 38 - HE2 LYS 40 far 0 99 0 - 9.5-11.2 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; 6.50 A increased from 5.98 A): 2 out of 4 assignments used, quality = 1.00: H TYR 41 + HE2 LYS 40 OK 100 100 100 100 5.1-6.8 6646/4.8=94, 6648/4.0=89...(9) * H TYR 41 + HE3 LYS 40 OK 95 100 95 100 4.8-6.8 6646/4.8=94, 6648/4.0=89...(10) HE ARG 30 - HE3 LYS 40 far 7 70 10 - 6.4-11.2 HE ARG 30 - HE2 LYS 40 far 3 69 5 - 5.7-11.5 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 - 4.4-7.9 Violated in 0 structures by 0.00 A. Peak 1873 from cnoeabs.peaks (3.93, 3.93, 59.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 41 + HA TYR 41 OK 100 100 - 100 Peak 1874 from cnoeabs.peaks (2.31, 3.93, 59.76 ppm; 3.67 A): 1 out of 5 assignments used, quality = 1.00: * HB2 TYR 41 + HA TYR 41 OK 100 100 100 100 2.4-2.5 3.0=100 HG3 GLU 43 - HA TYR 41 far 0 99 0 - 4.7-7.4 HG3 GLU 44 - HA TYR 41 far 0 59 0 - 6.1-6.5 HB2 TYR 4 - HA TYR 41 far 0 88 0 - 8.3-8.9 HG2 GLU 48 - HA TYR 41 far 0 93 0 - 10.0-13.6 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 3.0-3.0 3.0=100 HD2 ARG 30 - HA TYR 41 far 0 68 0 - 4.9-7.7 HG3 MET 74 - HA TYR 41 far 0 96 0 - 9.5-11.7 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 2.2-2.4 3.7=65, 6657/3.0=43...(16) QE TYR 41 - HA TYR 41 far 0 87 0 - 4.4-4.5 Violated in 0 structures by 0.00 A. Peak 1878 from cnoeabs.peaks (7.96, 3.93, 59.76 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 42 + HA TYR 41 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 1879 from cnoeabs.peaks (7.60, 3.93, 59.76 ppm; 4.26 A): 1 out of 3 assignments used, quality = 0.98: * H GLU 44 + HA TYR 41 OK 98 100 100 98 3.5-3.8 3.9/1880=58...(9) H LYS 40 - HA TYR 41 far 0 75 0 - 5.2-5.3 H GLU 48 - HA TYR 41 far 0 97 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 1880 from cnoeabs.peaks (2.00, 3.93, 59.76 ppm; 3.68 A increased from 3.47 A): 1 out of 5 assignments used, quality = 0.78: * HB2 GLU 44 + HA TYR 41 OK 78 100 100 78 3.2-3.5 3.9/1879=37...(5) HB3 GLU 44 - HA TYR 41 far 0 100 0 - 4.1-4.7 QE MET 74 - HA TYR 41 far 0 100 0 - 6.0-6.6 HB2 GLU 37 - HA TYR 41 far 0 88 0 - 7.4-8.1 HB2 ARG 46 - HA TYR 41 far 0 84 0 - 8.1-10.0 Violated in 0 structures by 0.00 A. Peak 1881 from cnoeabs.peaks (2.00, 3.93, 59.76 ppm; 3.68 A increased from 3.47 A): 1 out of 5 assignments used, quality = 0.78: HB2 GLU 44 + HA TYR 41 OK 78 100 100 78 3.2-3.5 3.9/1879=37...(5) ! HB3 GLU 44 - HA TYR 41 far 0 100 0 - 4.1-4.7 QE MET 74 - HA TYR 41 far 0 100 0 - 6.0-6.6 HB2 GLU 37 - HA TYR 41 far 0 88 0 - 7.4-8.1 HB2 ARG 46 - HA TYR 41 far 0 84 0 - 8.1-10.0 Violated in 0 structures by 0.00 A. Peak 1882 from cnoeabs.peaks (3.87, 2.31, 36.90 ppm; 5.19 A increased from 4.37 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 38 + HB2 TYR 41 OK 100 100 100 100 4.7-5.1 1890/1.8=94, 1624=91...(12) HA LYS 40 - HB2 TYR 41 far 0 99 0 - 6.6-6.6 HA GLU 43 - HB2 TYR 41 far 0 99 0 - 7.8-8.1 HA ALA 71 - HB2 TYR 41 far 0 81 0 - 9.5-10.2 HA GLU 35 - HB2 TYR 41 far 0 98 0 - 9.8-10.5 HA ALA 67 - HB2 TYR 41 far 0 92 0 - 10.0-10.7 Violated in 0 structures by 0.00 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 3.6-3.6 6655=100, 6656/1.8=87...(11) HE ARG 30 - HB2 TYR 41 far 7 70 10 - 4.1-6.9 Violated in 0 structures by 0.00 A. Peak 1884 from cnoeabs.peaks (3.93, 2.31, 36.90 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 41 + HB2 TYR 41 OK 100 100 100 100 2.4-2.5 3.0=100 HA GLU 44 - HB2 TYR 41 far 0 99 0 - 7.4-7.9 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 - 4.2-6.6 HG3 MET 74 - HB2 TYR 41 far 0 96 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 1887 from cnoeabs.peaks (6.83, 2.31, 36.90 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 41 + HB2 TYR 41 OK 100 100 100 100 2.6-2.7 2.5=100 QE TYR 41 - HB2 TYR 41 far 0 87 0 - 4.5-4.5 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 3.8-4.0 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 = 1.00: * HA LEU 38 + HB3 TYR 41 OK 100 100 100 100 3.1-3.5 1625=97, 1882/1.8=60...(17) HA LYS 40 - HB3 TYR 41 far 0 99 0 - 5.8-5.9 HA GLU 43 - HB3 TYR 41 far 0 99 0 - 7.6-7.8 HA GLU 35 - HB3 TYR 41 far 0 98 0 - 8.0-8.8 HA ALA 71 - HB3 TYR 41 far 0 81 0 - 8.4-9.1 HA ALA 67 - HB3 TYR 41 far 0 92 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 1891 from cnoeabs.peaks (7.82, 2.64, 36.90 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 41 + HB3 TYR 41 OK 100 100 100 100 2.4-2.6 6656=100, 6655/1.8=74...(14) HE ARG 30 - HB3 TYR 41 far 0 70 0 - 5.5-7.9 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 3.0-3.0 3.0=100 HA GLU 44 - HB3 TYR 41 far 0 99 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 1893 from cnoeabs.peaks (2.31, 2.64, 36.90 ppm; 3.11 A): 1 out of 4 assignments used, quality = 1.00: * HB2 TYR 41 + HB3 TYR 41 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 43 - HB3 TYR 41 far 0 99 0 - 6.2-8.4 HB2 TYR 4 - HB3 TYR 41 far 0 88 0 - 7.6-8.2 HG3 GLU 44 - HB3 TYR 41 far 0 59 0 - 8.4-9.1 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): 1 out of 2 assignments used, quality = 1.00: * QD TYR 41 + HB3 TYR 41 OK 100 100 100 100 2.3-2.3 2.5=100 QE TYR 41 - HB3 TYR 41 far 0 87 0 - 4.4-4.4 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 2.8-3.0 4.1=100 Violated in 0 structures by 0.00 A. Peak 1898 from cnoeabs.peaks (7.96, 3.70, 58.24 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 42 + HA LEU 42 OK 100 100 100 100 2.8-2.9 3.0=100 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 6 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 far 0 92 0 - 4.2-7.4 HG2 ARG 46 - HA LEU 42 far 0 94 0 - 5.4-7.9 HB VAL 78 - HA LEU 42 far 0 82 0 - 7.0-7.7 HB2 LYS 39 - HA LEU 42 far 0 99 0 - 7.8-8.0 HB2 LYS 53 - HA LEU 42 far 0 70 0 - 9.9-11.2 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 HG2 ARG 30 - HA LEU 42 far 0 99 0 - 7.7-9.3 QB ALA 67 - HA LEU 42 far 0 70 0 - 8.3-8.8 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 2.8-2.9 2.1/1944=86, 4.3=77...(15) HB VAL 54 - HA LEU 42 far 0 99 0 - 5.5-6.1 HB2 GLU 43 - HA LEU 42 far 0 99 0 - 6.5-6.6 HB3 LYS 39 - HA LEU 42 far 0 70 0 - 7.6-7.9 HB3 LYS 47 - HA LEU 42 far 0 81 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 1903 from cnoeabs.peaks (0.69, 3.70, 58.24 ppm; 4.10 A increased from 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=100 QG2 VAL 54 + HA LEU 42 OK 53 70 100 76 3.4-4.0 9222/8928=30...(8) QD1 ILE 52 - HA LEU 42 far 0 100 0 - 5.1-5.9 QD2 LEU 6 - HA LEU 42 far 0 100 0 - 5.6-5.9 QD1 ILE 56 - HA LEU 42 far 0 93 0 - 5.7-6.2 QG2 VAL 78 - HA LEU 42 far 0 71 0 - 6.2-7.0 HG13 ILE 56 - HA LEU 42 far 0 84 0 - 6.9-7.4 QD1 ILE 8 - HA LEU 42 far 0 91 0 - 8.9-9.3 QG1 VAL 5 - HA LEU 42 far 0 61 0 - 9.6-10.3 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 2.0-2.1 1944=90, 2.1/1902=42...(19) QD1 ILE 76 + HA LEU 42 OK 36 70 60 87 3.1-3.5 10286/3.0=20, 10878=18...(18) QD1 LEU 6 - HA LEU 42 far 0 100 0 - 3.9-4.1 QG1 VAL 54 - HA LEU 42 far 0 100 0 - 4.3-5.0 QG1 VAL 78 - HA LEU 42 far 0 91 0 - 4.5-5.0 QG2 ILE 52 - HA LEU 42 far 0 98 0 - 5.8-6.4 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 3.2-3.4 6719=100, 6698/3.6=58...(13) H ALA 71 - HA LEU 42 far 0 100 0 - 7.7-8.4 Violated in 0 structures by 0.00 A. Peak 1907 from cnoeabs.peaks (2.98, 3.70, 58.24 ppm; 3.98 A): 2 out of 4 assignments used, quality = 1.00: * HB2 PHE 45 + HA LEU 42 OK 99 100 100 99 2.2-2.8 2.5/8928=66...(14) HB3 PHE 45 + HA LEU 42 OK 80 96 85 99 3.8-4.4 2.5/8928=66, 3.7/6719=48...(13) HE2 LYS 47 - HA LEU 42 far 0 99 0 - 7.9-11.4 HE3 LYS 47 - HA LEU 42 far 0 99 0 - 9.2-11.1 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 2.2-2.8 2.5/8928=65...(14) * HB3 PHE 45 + HA LEU 42 OK 74 100 75 98 3.8-4.4 2.5/8928=65, 3.7/6719=48...(13) HE2 LYS 47 - HA LEU 42 far 0 100 0 - 7.9-11.4 HE3 LYS 47 - HA LEU 42 far 0 100 0 - 9.2-11.1 Violated in 0 structures by 0.00 A. Peak 1909 from cnoeabs.peaks (3.61, 1.81, 40.51 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HB2 LEU 42 OK 100 100 100 100 2.4-2.7 1679/1.8=84, 8953/3.1=75...(16) 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 2.2-2.4 4.0=100 H LEU 70 - HB2 LEU 42 far 0 100 0 - 8.2-8.8 Violated in 0 structures by 0.00 A. Peak 1911 from cnoeabs.peaks (3.70, 1.81, 40.51 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 42 + HB2 LEU 42 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 37 - HB2 LEU 42 far 0 100 0 - 7.8-8.1 Violated in 0 structures by 0.00 A. Peak 1912 from cnoeabs.peaks (1.81, 1.81, 40.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 42 + HB2 LEU 42 OK 100 100 - 100 Peak 1913 from cnoeabs.peaks (1.30, 1.81, 40.51 ppm; 3.32 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + HB2 LEU 42 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 67 - HB2 LEU 42 far 0 70 0 - 7.7-8.3 HG2 ARG 30 - HB2 LEU 42 far 0 99 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 1914 from cnoeabs.peaks (1.90, 1.81, 40.51 ppm; 3.92 A): 1 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 far 0 70 0 - 4.7-5.2 HB2 GLU 43 - HB2 LEU 42 far 0 99 0 - 5.9-6.1 HB VAL 54 - HB2 LEU 42 far 0 99 0 - 7.3-7.9 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 2.1-2.3 3.1=100 QG2 VAL 54 - HB2 LEU 42 far 0 70 0 - 5.6-6.3 QD1 ILE 56 - HB2 LEU 42 far 0 93 0 - 5.7-6.4 QD2 LEU 6 - HB2 LEU 42 far 0 100 0 - 6.6-6.8 QG2 VAL 78 - HB2 LEU 42 far 0 71 0 - 6.6-7.3 HG13 ILE 56 - HB2 LEU 42 far 0 84 0 - 7.5-8.2 QD1 ILE 52 - HB2 LEU 42 far 0 100 0 - 7.5-8.2 QD1 ILE 8 - HB2 LEU 42 far 0 91 0 - 8.4-8.8 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 3.2-3.2 3.1=100 QD1 ILE 76 + HB2 LEU 42 OK 69 70 100 99 3.3-3.4 10286/1.8=43, ~10285=36...(24) QD1 LEU 6 - HB2 LEU 42 far 0 100 0 - 4.8-5.2 QG1 VAL 78 - HB2 LEU 42 far 0 91 0 - 5.5-5.9 QG1 VAL 54 - HB2 LEU 42 far 0 100 0 - 6.0-6.8 QG2 ILE 52 - HB2 LEU 42 far 0 98 0 - 7.9-8.4 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 2 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 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 1918 from cnoeabs.peaks (3.61, 1.30, 40.51 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HB3 LEU 42 OK 100 100 100 100 3.9-4.2 1679=100, 1909/1.8=84...(11) 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 - 8.4-8.9 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 - 9.5-9.8 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 11 92 25 47 3.1-6.6 9021/10286=23...(6) HG2 ARG 46 - HB3 LEU 42 far 0 94 0 - 4.3-7.0 HB2 LYS 39 - HB3 LEU 42 far 0 99 0 - 6.5-7.0 HB VAL 78 - HB3 LEU 42 far 0 82 0 - 7.4-7.9 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 - 6.1-6.8 HB2 GLU 43 - HB3 LEU 42 far 0 99 0 - 6.2-6.5 HB VAL 54 - HB3 LEU 42 far 0 99 0 - 6.4-7.0 HB3 LYS 47 - HB3 LEU 42 far 0 81 0 - 9.4-9.8 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 2.4-2.5 3.1=100 QG2 VAL 54 - HB3 LEU 42 far 0 70 0 - 4.8-5.4 QD1 ILE 56 - HB3 LEU 42 far 0 93 0 - 5.7-6.1 QG2 VAL 78 - HB3 LEU 42 far 0 71 0 - 5.9-6.5 QD1 ILE 52 - HB3 LEU 42 far 0 100 0 - 6.6-7.3 QD2 LEU 6 - HB3 LEU 42 far 0 100 0 - 7.3-7.4 HG13 ILE 56 - HB3 LEU 42 far 0 84 0 - 7.6-8.1 QD1 ILE 8 - HB3 LEU 42 far 0 91 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 1925 from cnoeabs.peaks (0.77, 1.30, 40.51 ppm; 3.75 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 42 + HB3 LEU 42 OK 100 100 100 100 2.3-2.4 3.1=100 QD1 ILE 76 + HB3 LEU 42 OK 69 70 100 99 1.9-2.1 10286=46, 2.1/10285=42...(25) QG1 VAL 78 - HB3 LEU 42 far 0 91 0 - 4.6-5.0 QD1 LEU 6 - HB3 LEU 42 far 0 100 0 - 5.2-5.5 QG1 VAL 54 - HB3 LEU 42 far 0 100 0 - 5.7-6.4 QG2 ILE 52 - HB3 LEU 42 far 0 98 0 - 6.6-7.2 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 1 assignment used, quality = 1.00: * H GLU 43 + HB3 LEU 42 OK 100 100 100 100 3.5-3.8 4.6=100 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 2.5-2.8 6675=100, 6676/2.1=75...(18) H LEU 70 - HG LEU 42 far 0 100 0 - 7.8-8.4 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 2 assignments used, quality = 1.00: * HA LEU 42 + HG LEU 42 OK 100 100 100 100 2.8-2.9 4.3=100 HA GLU 37 - HG LEU 42 far 0 100 0 - 7.7-8.1 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 5 assignments used, quality = 1.00: * HB2 LEU 42 + HG LEU 42 OK 100 100 100 100 2.5-2.6 3.0=100 HB2 LYS 39 - HG LEU 42 far 0 99 0 - 5.8-6.5 HG3 ARG 46 - HG LEU 42 far 0 92 0 - 5.9-9.4 HB VAL 78 - HG LEU 42 far 0 82 0 - 6.2-7.0 HG2 ARG 46 - HG LEU 42 far 0 94 0 - 7.0-9.9 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 - 6.1-6.7 HG2 ARG 30 - HG LEU 42 far 0 99 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 1931 from cnoeabs.peaks (1.90, 1.90, 26.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 42 + HG LEU 42 OK 100 100 - 100 Peak 1932 from cnoeabs.peaks (0.69, 1.90, 26.36 ppm; 3.77 A): 1 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 lone 2 93 25 8 3.9-4.6 326/12068=4, 12201/8920=4 QG2 VAL 54 - HG LEU 42 far 0 70 0 - 4.3-5.1 QD2 LEU 6 - HG LEU 42 far 0 100 0 - 5.0-5.3 HG13 ILE 56 - HG LEU 42 far 0 84 0 - 5.1-5.7 QG2 VAL 78 - HG LEU 42 far 0 71 0 - 5.2-5.9 QD1 ILE 8 - HG LEU 42 far 0 91 0 - 6.8-7.1 QD1 ILE 52 - HG LEU 42 far 0 100 0 - 7.0-8.1 QG1 VAL 58 - HG LEU 42 far 0 73 0 - 8.5-8.9 QG1 VAL 5 - HG LEU 42 far 0 61 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 1933 from cnoeabs.peaks (0.77, 1.90, 26.36 ppm; 3.56 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 42 + HG LEU 42 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 6 + HG LEU 42 OK 48 100 100 48 3.0-3.3 6677/6675=24...(3) QD1 ILE 76 - HG LEU 42 far 3 70 5 - 3.9-4.0 QG1 VAL 54 - HG LEU 42 far 0 100 0 - 4.1-5.0 QG1 VAL 78 - HG LEU 42 far 0 91 0 - 4.1-4.7 QG2 ILE 52 - HG LEU 42 far 0 98 0 - 7.6-8.3 QG2 ILE 8 - HG LEU 42 far 0 92 0 - 9.1-9.9 QD2 LEU 57 - HG LEU 42 far 0 79 0 - 9.5-10.3 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 4.6-4.7 6685/6675=96...(14) H LYS 68 - HG LEU 42 far 0 100 0 - 9.0-9.5 H ASP 36 - HG LEU 42 far 0 99 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 1935 from cnoeabs.peaks (7.96, 0.69, 25.64 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + QD1 LEU 42 OK 100 100 100 100 3.4-3.7 6676=100, 6675/2.1=95...(17) H LEU 70 - QD1 LEU 42 far 0 100 0 - 4.7-5.2 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...(15) HA LEU 14 + QD1 LEU 14 OK 83 83 100 100 3.1-3.4 4.0=97, 587/2.1=68...(25) HA GLU 37 - QD1 LEU 42 far 0 100 0 - 7.2-7.4 HA LYS 90 - QD1 LEU 14 far 0 61 0 - 7.3-8.0 HB THR 80 - QD1 LEU 42 far 0 85 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 1937 from cnoeabs.peaks (1.81, 0.69, 25.64 ppm; 3.65 A): 1 out of 13 assignments used, quality = 1.00: * HB2 LEU 42 + QD1 LEU 42 OK 100 100 100 100 2.1-2.3 3.1=100 HB2 LYS 39 - QD1 LEU 42 far 5 99 5 - 3.9-4.8 HB2 GLU 88 - QD1 LEU 14 far 0 96 0 - 4.2-4.7 HG3 ARG 46 - QD1 LEU 42 far 0 92 0 - 4.9-7.7 HB VAL 78 - QD1 LEU 42 far 0 82 0 - 5.2-5.8 HG2 ARG 46 - QD1 LEU 42 far 0 94 0 - 5.5-8.0 HB3 LEU 57 - QD1 LEU 14 far 0 89 0 - 6.0-6.6 HB2 LYS 90 - QD1 LEU 14 far 0 96 0 - 7.1-7.9 HB2 LYS 68 - QD1 LEU 42 far 0 75 0 - 7.2-7.7 HB3 LYS 90 - QD1 LEU 14 far 0 76 0 - 8.1-8.7 HB3 GLU 63 - QD1 LEU 14 far 0 72 0 - 8.9-9.4 HB ILE 93 - QD1 LEU 14 far 0 96 0 - 9.1-9.7 HB2 LYS 53 - QD1 LEU 42 far 0 70 0 - 9.4-10.6 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 2.4-2.5 3.1=100 QB ALA 89 + QD1 LEU 14 OK 52 60 100 86 2.8-3.5 2.9/9925=34...(12) QB ALA 67 - QD1 LEU 42 far 0 70 0 - 4.5-5.1 HG2 LYS 90 - QD1 LEU 14 far 0 90 0 - 5.8-6.7 HG2 ARG 30 - QD1 LEU 42 far 0 99 0 - 9.0-10.3 QB ALA 67 - QD1 LEU 14 far 0 63 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 1939 from cnoeabs.peaks (1.90, 0.69, 25.64 ppm; 3.33 A): 2 out of 15 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 2.8-2.9 3.1=100 HB3 LYS 39 - QD1 LEU 42 far 3 70 5 - 3.6-4.9 HB VAL 54 - QD1 LEU 42 far 0 99 0 - 5.2-5.8 HB2 LYS 13 - QD1 LEU 14 far 0 86 0 - 5.3-5.9 HB3 LYS 13 - QD1 LEU 14 far 0 88 0 - 5.6-6.1 HB ILE 8 - QD1 LEU 14 far 0 97 0 - 7.1-7.6 HB2 GLU 43 - QD1 LEU 42 far 0 99 0 - 7.1-7.3 HB3 LYS 68 - QD1 LEU 42 far 0 85 0 - 7.3-7.7 HB3 LYS 66 - QD1 LEU 42 far 0 68 0 - 7.4-7.9 HB3 LYS 12 - QD1 LEU 14 far 0 71 0 - 8.6-8.9 HB2 LYS 12 - QD1 LEU 14 far 0 67 0 - 8.8-8.9 HB3 ARG 19 - QD1 LEU 14 far 0 65 0 - 9.1-9.8 HB ILE 8 - QD1 LEU 42 far 0 100 0 - 9.2-9.8 HB3 LYS 20 - QD1 LEU 14 far 0 56 0 - 9.7-12.0 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 2.0-2.1 2.1=100 QD1 ILE 76 + QD1 LEU 42 OK 60 70 100 87 2.2-2.8 2.1/9667=20...(23) QG1 VAL 78 - QD1 LEU 42 far 0 91 0 - 3.5-3.9 QD1 LEU 6 - QD1 LEU 42 far 0 100 0 - 3.8-4.1 QG1 VAL 54 - QD1 LEU 42 far 0 100 0 - 4.4-5.3 HG13 ILE 15 - QD1 LEU 14 far 0 93 0 - 4.9-5.9 QD1 ILE 15 - QD1 LEU 14 far 0 95 0 - 5.5-5.9 QG2 ILE 7 - QD1 LEU 14 far 0 67 0 - 5.6-6.1 QD1 ILE 93 - QD1 LEU 14 far 0 96 0 - 5.9-6.5 QG2 ILE 8 - QD1 LEU 14 far 0 86 0 - 6.4-7.2 QD2 LEU 57 - QD1 LEU 14 far 0 72 0 - 6.6-7.0 QG2 ILE 52 - QD1 LEU 42 far 0 98 0 - 6.8-7.4 HG3 ARG 81 - QD1 LEU 14 far 0 76 0 - 7.4-10.6 HG13 ILE 93 - QD1 LEU 14 far 0 82 0 - 7.7-8.5 QG2 ILE 8 - QD1 LEU 42 far 0 92 0 - 7.9-8.5 QD1 LEU 64 - QD1 LEU 42 far 0 85 0 - 8.0-8.8 QD2 LEU 57 - QD1 LEU 42 far 0 79 0 - 8.5-9.1 QD1 LEU 64 - QD1 LEU 14 far 0 79 0 - 8.7-9.0 QG2 ILE 93 - QD1 LEU 14 far 0 90 0 - 8.8-9.2 QG2 ILE 7 - QD1 LEU 42 far 0 73 0 - 9.6-9.9 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 3.7-3.9 6675/2.1=93, 6676/2.1=84...(13) H LEU 70 - QD2 LEU 42 far 0 100 0 - 6.5-7.1 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 2.0-2.1 1904=73, 1902/2.1=45...(19) HB THR 80 - QD2 LEU 42 far 0 85 0 - 8.3-9.0 HA GLU 37 - QD2 LEU 42 far 0 100 0 - 8.5-8.8 Violated in 0 structures by 0.00 A. Peak 1945 from cnoeabs.peaks (1.81, 0.77, 21.93 ppm; 3.41 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LEU 42 + QD2 LEU 42 OK 100 100 100 100 3.2-3.2 3.1=100 HB VAL 78 - QD2 LEU 42 far 0 82 0 - 3.7-4.3 HG3 ARG 46 - QD2 LEU 42 far 0 92 0 - 4.0-6.6 HG2 ARG 46 - QD2 LEU 42 far 0 94 0 - 4.5-7.2 HB2 LYS 39 - QD2 LEU 42 far 0 99 0 - 6.5-7.2 HB2 LYS 53 - QD2 LEU 42 far 0 70 0 - 7.1-8.3 HB2 LYS 68 - QD2 LEU 42 far 0 75 0 - 7.6-8.1 HB3 LEU 57 - QD2 LEU 42 far 0 95 0 - 9.9-10.1 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 2.3-2.4 3.1=100 QB ALA 67 - QD2 LEU 42 far 0 70 0 - 5.2-5.6 HG2 ARG 30 - QD2 LEU 42 far 0 99 0 - 7.6-8.9 HB3 LEU 2 - QD2 LEU 42 far 0 77 0 - 9.6-10.2 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 far 5 99 5 - 3.0-3.6 HB3 LYS 39 - QD2 LEU 42 far 0 70 0 - 6.3-7.2 HB2 GLU 43 - QD2 LEU 42 far 0 99 0 - 7.3-7.4 HB3 LYS 68 - QD2 LEU 42 far 0 85 0 - 7.7-8.1 HB3 LYS 47 - QD2 LEU 42 far 0 81 0 - 8.6-9.0 HB VAL 5 - QD2 LEU 42 far 0 68 0 - 9.1-9.5 HB3 LYS 66 - QD2 LEU 42 far 0 68 0 - 9.2-9.7 HB ILE 8 - QD2 LEU 42 far 0 100 0 - 9.7-10.4 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 2.0-2.1 2.1=100 QD1 ILE 56 - QD2 LEU 42 poor 19 93 20 - 2.5-3.1 QG2 VAL 54 - QD2 LEU 42 poor 9 70 45 29 2.3-3.1 9222/10600=10, 2497=8...(6) QG2 VAL 78 - QD2 LEU 42 far 0 71 0 - 3.0-3.7 HG13 ILE 56 - QD2 LEU 42 far 0 84 0 - 4.0-4.3 QD1 ILE 52 - QD2 LEU 42 far 0 100 0 - 4.9-5.8 QD2 LEU 6 - QD2 LEU 42 far 0 100 0 - 4.9-5.3 QD1 ILE 8 - QD2 LEU 42 far 0 91 0 - 6.4-6.7 QG1 VAL 5 - QD2 LEU 42 far 0 61 0 - 7.4-7.9 QG1 VAL 58 - QD2 LEU 42 far 0 73 0 - 7.5-7.7 QG2 VAL 58 - QD2 LEU 42 far 0 98 0 - 9.1-9.6 QD1 LEU 29 - QD2 LEU 42 far 0 68 0 - 9.4-9.9 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 2 assignments used, quality = 1.00: * H GLU 43 + QD2 LEU 42 OK 100 100 100 100 4.7-4.8 3.6/1944=91, 6687/3.1=89...(13) H LYS 68 - QD2 LEU 42 far 0 100 0 - 7.2-7.6 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 2.8-2.8 2.9=100 H ASP 36 + HA GLU 35 OK 97 97 100 100 3.5-3.5 3.6=97, 6558/3.0=55...(15) H GLU 43 + HA LYS 40 OK 72 82 100 87 3.5-3.7 6692=42, 6683/3.6=32...(10) H PHE 96 - HA ARG 91 far 0 91 0 - 6.0-6.6 H SER 97 - HA ARG 91 far 0 86 0 - 7.5-8.2 H ASP 36 - HA LYS 40 far 0 80 0 - 8.1-8.5 H LYS 68 - HA GLU 35 far 0 97 0 - 8.7-9.5 H GLU 43 - HA GLU 35 far 0 98 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 1952 from cnoeabs.peaks (3.88, 3.88, 59.12 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA GLU 43 + HA GLU 43 OK 100 100 - 100 HA ARG 91 + HA ARG 91 OK 99 99 - 100 HA GLU 35 + HA GLU 35 OK 98 98 - 100 HA LYS 40 + HA LYS 40 OK 72 72 - 100 Peak 1953 from cnoeabs.peaks (1.91, 3.88, 59.12 ppm; 3.13 A): 2 out of 14 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 21 94 35 65 2.8-4.9 7513/4021=19...(11) HB2 GLU 43 - HA LYS 40 far 0 82 0 - 4.5-5.0 HB VAL 32 - HA GLU 35 far 0 65 0 - 6.2-6.6 HG LEU 42 - HA LYS 40 far 0 79 0 - 6.4-6.8 HG LEU 42 - HA GLU 43 far 0 99 0 - 6.5-6.6 HB3 LYS 47 - HA GLU 43 far 0 94 0 - 6.8-7.6 HB2 LYS 33 - HA GLU 35 far 0 95 0 - 7.8-8.1 HG LEU 42 - HA GLU 35 far 0 96 0 - 7.9-8.5 HB ILE 8 - HA GLU 35 far 0 95 0 - 8.2-9.2 HB2 GLU 17 - HA ARG 91 far 0 66 0 - 8.5-9.3 HB3 LYS 33 - HA GLU 35 far 0 96 0 - 8.7-8.9 HG3 GLU 88 - HA ARG 91 far 0 62 0 - 8.7-9.6 HB VAL 54 - HA GLU 43 far 0 91 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 1954 from cnoeabs.peaks (2.06, 3.88, 59.12 ppm; 2.87 A): 3 out of 14 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...(25) HB3 GLU 35 + HA GLU 35 OK 90 92 100 98 2.4-2.6 3.0=87, 6551/3.0=34...(19) HB3 LEU 38 + HA GLU 35 OK 55 97 85 67 2.6-3.5 6587/12057=27...(7) HB3 GLU 43 - HA LYS 40 far 4 82 5 - 2.9-3.9 QE MET 21 - HA ARG 91 far 0 68 0 - 4.4-5.3 HB2 MET 74 - HA GLU 43 far 0 100 0 - 4.9-5.8 HB2 MET 21 - HA ARG 91 far 0 96 0 - 7.0-7.8 HB3 GLU 88 - HA ARG 91 far 0 96 0 - 7.2-7.6 HB3 LEU 38 - HA LYS 40 far 0 80 0 - 7.3-8.2 HG12 ILE 93 - HA ARG 91 far 0 80 0 - 7.8-8.3 HB2 GLU 98 - HA ARG 91 far 0 90 0 - 8.2-9.2 HB2 MET 74 - HA LYS 40 far 0 82 0 - 8.6-9.5 HB3 GLU 48 - HA GLU 43 far 0 95 0 - 9.0-9.8 HB3 GLU 98 - HA ARG 91 far 0 89 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 1955 from cnoeabs.peaks (2.19, 3.88, 59.12 ppm; 3.17 A): 3 out of 14 assignments used, quality = 1.00: * HG2 GLU 43 + HA GLU 43 OK 94 100 95 99 2.3-3.6 3.7=64, 1977/2.9=42...(21) HG2 GLU 35 + HA GLU 35 OK 85 97 90 97 2.6-3.6 4.1=47, 6561/3.6=22...(26) HG3 GLU 35 + HA GLU 35 OK 60 97 65 95 2.3-3.6 4.1=47, 1545/3.0=25...(24) HG2 GLU 43 - HA LYS 40 poor 12 82 30 50 2.0-4.2 1.8/1985=17...(8) HB2 GLU 95 - HA ARG 91 far 0 94 0 - 4.2-6.6 HB3 GLU 95 - HA ARG 91 far 0 75 0 - 4.3-7.0 HB2 GLU 63 - HA GLU 35 far 0 96 0 - 7.3-8.5 HG2 GLU 35 - HA LYS 40 far 0 80 0 - 8.2-10.4 HG3 GLU 35 - HA LYS 40 far 0 80 0 - 8.4-10.3 HB3 GLU 75 - HA GLU 43 far 0 100 0 - 8.8-9.9 HG2 GLU 98 - HA ARG 91 far 0 80 0 - 9.3-10.6 HG2 GLU 99 - HA ARG 91 far 0 70 0 - 9.5-11.8 HG3 GLU 75 - HA GLU 43 far 0 97 0 - 9.7-12.0 HG2 GLU 75 - HA GLU 43 far 0 96 0 - 9.9-12.0 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 10 assignments used, quality = 1.00: * HG3 GLU 43 + HA GLU 43 OK 100 100 100 100 2.2-3.8 3.7=100 HG3 GLU 43 + HA LYS 40 OK 57 82 95 74 2.0-4.6 1985=29, 6696/6692=26...(10) HB2 TYR 41 - HA LYS 40 far 0 80 0 - 6.6-6.6 HG3 GLU 44 - HA GLU 43 far 0 75 0 - 7.0-7.3 HG2 GLU 63 - HA GLU 35 far 0 78 0 - 7.4-9.0 HB2 TYR 41 - HA GLU 43 far 0 99 0 - 7.8-8.1 HG3 GLU 44 - HA LYS 40 far 0 55 0 - 8.8-9.4 HG2 GLU 48 - HA GLU 43 far 0 99 0 - 8.9-11.8 HB2 TYR 41 - HA GLU 35 far 0 97 0 - 9.8-10.5 HG3 GLU 43 - HA GLU 35 far 0 98 0 - 9.9-11.6 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 7 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 0 82 0 - 4.8-5.2 H LYS 40 - HA GLU 35 far 0 71 0 - 5.9-6.6 H GLU 48 - HA GLU 43 far 0 97 0 - 7.1-7.8 H LYS 40 - HA GLU 43 far 0 75 0 - 7.2-7.5 H GLU 88 - HA ARG 91 far 0 75 0 - 7.3-7.7 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 3.4-3.8 6738=70, 6716/3.6=45...(12) H LYS 90 - HA ARG 91 far 0 86 0 - 5.3-5.5 H ARG 46 - HA LYS 40 far 0 82 0 - 8.0-8.2 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 25 assignments used, quality = 0.96: HB3 ARG 46 + HA GLU 43 OK 70 96 90 81 2.6-4.1 2076=28, 3.6/10171=26...(9) HB2 GLU 35 + HA GLU 35 OK 67 67 100 100 3.0-3.0 3.0=100 * HB2 ARG 46 + HA GLU 43 OK 45 100 55 82 2.6-4.3 1.8/2076=27...(9) QE MET 74 + HA GLU 43 OK 29 82 45 78 2.8-3.9 12303/2.9=31, 9610=26...(11) QE MET 74 - HA LYS 40 far 0 61 0 - 4.1-5.0 HB2 GLU 37 - HA GLU 35 far 0 98 0 - 4.9-5.4 HB2 GLU 44 - HA GLU 43 far 0 84 0 - 5.7-5.8 HB3 GLU 44 - HA GLU 43 far 0 84 0 - 5.9-6.0 HB3 MET 74 - HA GLU 43 far 0 98 0 - 6.1-7.0 HB VAL 32 - HA GLU 35 far 0 65 0 - 6.2-6.6 HB2 GLU 44 - HA LYS 40 far 0 62 0 - 6.3-6.9 HB3 GLU 44 - HA LYS 40 far 0 62 0 - 6.4-7.0 QE MET 74 - HA GLU 35 far 0 78 0 - 7.4-8.4 HB2 LYS 47 - HA GLU 43 far 0 100 0 - 7.5-8.2 HB2 GLU 37 - HA LYS 40 far 0 82 0 - 7.5-7.7 HB3 ARG 46 - HA LYS 40 far 0 75 0 - 8.0-9.7 HB2 ARG 46 - HA LYS 40 far 0 82 0 - 8.1-9.9 HB2 GLU 17 - HA ARG 91 far 0 70 0 - 8.5-9.3 HG3 GLU 88 - HA ARG 91 far 0 73 0 - 8.7-9.6 HB3 MET 74 - HA LYS 40 far 0 78 0 - 9.1-9.8 HB3 LYS 24 - HA ARG 91 far 0 97 0 - 9.2-11.1 HB2 LYS 24 - HA ARG 91 far 0 97 0 - 9.3-10.5 HB2 GLU 35 - HA LYS 40 far 0 51 0 - 9.5-10.2 HB3 GLU 17 - HA ARG 91 far 0 72 0 - 9.6-10.5 HB2 LYS 73 - HA GLU 43 far 0 95 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 1960 from cnoeabs.peaks (1.96, 3.88, 59.12 ppm; 3.23 A): 2 out of 17 assignments used, quality = 0.90: * HB3 ARG 46 + HA GLU 43 OK 81 100 95 85 2.6-4.1 2076=33, 3.6/10171=29...(9) HB2 ARG 46 + HA GLU 43 OK 45 96 55 85 2.6-4.3 1.8/2076=30...(9) HB2 LYS 94 - HA ARG 91 poor 14 62 35 65 2.8-4.9 4.0/4021=19, 1.8/4196=19...(11) HB2 GLU 37 - HA GLU 35 far 0 90 0 - 4.9-5.4 HB3 MET 74 - HA GLU 43 far 0 100 0 - 6.1-7.0 HB VAL 32 - HA GLU 35 far 0 89 0 - 6.2-6.6 HB3 LYS 47 - HA GLU 43 far 0 68 0 - 6.8-7.6 HB2 LYS 47 - HA GLU 43 far 0 99 0 - 7.5-8.2 HB2 GLU 37 - HA LYS 40 far 0 72 0 - 7.5-7.7 HB3 ARG 46 - HA LYS 40 far 0 82 0 - 8.0-9.7 HB2 ARG 46 - HA LYS 40 far 0 75 0 - 8.1-9.9 HB2 GLU 17 - HA ARG 91 far 0 92 0 - 8.5-9.3 HG3 GLU 88 - HA ARG 91 far 0 94 0 - 8.7-9.6 HB3 MET 74 - HA LYS 40 far 0 82 0 - 9.1-9.8 HB3 LYS 24 - HA ARG 91 far 0 99 0 - 9.2-11.1 HB2 LYS 24 - HA ARG 91 far 0 99 0 - 9.3-10.5 HB2 LYS 73 - HA GLU 43 far 0 100 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 1961 from cnoeabs.peaks (3.86, 1.91, 29.24 ppm; 3.26 A): 1 out of 8 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 - 4.5-5.0 HA ALA 22 - HB2 ARG 19 far 0 31 0 - 7.2-7.6 HA LYS 12 - HB3 ARG 19 far 0 45 0 - 7.5-8.2 HA ALA 22 - HB3 ARG 19 far 0 23 0 - 7.8-8.2 HA LYS 12 - HB2 ARG 19 far 0 59 0 - 8.8-9.4 HA ALA 71 - HB2 GLU 43 far 0 93 0 - 9.7-10.4 HB3 SER 49 - HB2 GLU 43 far 0 99 0 - 9.9-10.8 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 3.6-3.6 6693=97, 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 6 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 0 94 0 - 4.5-5.0 HA LYS 12 - HB3 ARG 19 far 0 32 0 - 7.5-8.2 HA LYS 12 - HB2 ARG 19 far 0 43 0 - 8.8-9.4 HA ALA 71 - HB2 GLU 43 far 0 63 0 - 9.7-10.4 HB3 SER 49 - HB2 GLU 43 far 0 84 0 - 9.9-10.8 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 14 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 - 4.7-5.6 HB2 MET 21 - HB3 ARG 19 far 0 43 0 - 6.2-7.1 HB2 GLU 23 - HB2 ARG 19 far 0 50 0 - 6.3-7.4 HB2 GLU 16 - HB2 ARG 19 far 0 59 0 - 6.4-7.3 HB2 MET 21 - HB2 ARG 19 far 0 57 0 - 6.9-7.6 HB2 MET 74 - HB2 GLU 43 far 0 100 0 - 7.1-8.0 HB2 GLU 23 - HB3 ARG 19 far 0 37 0 - 7.2-8.4 QE MET 21 - HB3 ARG 19 far 0 27 0 - 8.1-8.8 QE MET 21 - HB2 ARG 19 far 0 36 0 - 8.1-8.8 HG12 ILE 93 - HB3 ARG 19 far 0 33 0 - 8.2-9.1 HG12 ILE 93 - HB2 ARG 19 far 0 44 0 - 8.2-9.2 HG3 GLU 28 - HB2 ARG 19 far 0 62 0 - 9.0-11.9 HG2 GLU 28 - HB2 ARG 19 far 0 62 0 - 9.6-12.0 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 2.6-3.0 3.0=100 HB3 GLU 16 - HB3 ARG 19 far 0 36 0 - 4.0-5.5 HB3 GLU 16 - HB2 ARG 19 far 0 49 0 - 5.4-7.2 HB3 GLU 23 - HB2 ARG 19 far 0 35 0 - 5.4-6.5 HB3 GLU 23 - HB3 ARG 19 far 0 26 0 - 6.0-7.3 Violated in 0 structures by 0.00 A. Peak 1967 from cnoeabs.peaks (2.32, 1.91, 29.24 ppm; 3.56 A): 1 out of 8 assignments used, quality = 1.00: * HG3 GLU 43 + HB2 GLU 43 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 GLU 16 - HB3 ARG 19 far 0 42 0 - 4.0-5.2 HG2 GLU 16 - HB2 ARG 19 far 0 55 0 - 5.2-6.5 HG3 GLU 16 - HB3 ARG 19 far 0 36 0 - 5.6-6.3 HG3 GLU 44 - HB2 GLU 43 far 0 75 0 - 6.5-7.1 HG3 GLU 16 - HB2 ARG 19 far 0 48 0 - 6.9-7.9 HB2 TYR 41 - HB2 GLU 43 far 0 99 0 - 8.3-8.7 HG2 GLU 48 - HB2 GLU 43 far 0 99 0 - 9.7-12.6 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 3.3-3.8 6706=100, 6707/1.8=90...(7) H LYS 40 - HB2 GLU 43 far 0 75 0 - 7.0-7.5 H LYS 24 - HB2 ARG 19 far 0 43 0 - 7.3-7.8 H LYS 24 - HB3 ARG 19 far 0 32 0 - 7.7-8.4 H GLU 48 - HB2 GLU 43 far 0 97 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 1969 from cnoeabs.peaks (3.86, 2.06, 29.24 ppm; 3.07 A): 2 out of 31 assignments used, quality = 0.98: 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 2.4-2.6 3.0=100 ! HA LYS 40 - HB3 GLU 43 poor 6 100 20 32 2.9-3.9 6692/6694=16...(5) HB2 SER 102 - HB3 GLU 99 far 4 41 10 - 3.1-11.7 HA3 GLY 101 - HB3 GLU 99 far 0 42 0 - 3.8-7.4 HA2 GLY 101 - HB2 GLU 99 far 0 76 0 - 3.8-6.9 HA2 GLY 101 - HB3 GLU 99 far 0 61 0 - 4.0-7.6 HA2 GLY 100 - HB3 GLU 99 far 0 61 0 - 4.1-6.1 HA2 GLY 100 - HB2 GLU 99 far 0 76 0 - 4.5-5.5 HB2 SER 102 - HB2 GLU 99 far 0 53 0 - 4.6-11.2 HA LYS 94 - HB2 GLU 98 far 0 81 0 - 4.8-6.3 HA3 GLY 101 - HB2 GLU 99 far 0 54 0 - 4.9-6.5 HA LYS 12 - HB2 GLU 16 far 0 94 0 - 5.0-6.5 HA2 GLY 101 - HB3 GLU 98 far 0 79 0 - 6.3-10.6 HA ALA 67 - HB3 GLU 35 far 0 82 0 - 6.4-7.3 HA LYS 94 - HB3 GLU 98 far 0 79 0 - 6.5-7.5 HA ALA 22 - HB2 GLU 23 far 0 40 0 - 6.6-6.6 HA2 GLY 100 - HB3 GLU 98 far 0 79 0 - 6.6-8.0 HA2 GLY 101 - HB2 GLU 98 far 0 81 0 - 6.7-10.5 HA2 GLY 100 - HB2 GLU 98 far 0 81 0 - 6.9-8.0 HA3 GLY 101 - HB2 GLU 98 far 0 58 0 - 7.3-10.2 HA3 GLY 101 - HB3 GLU 98 far 0 57 0 - 7.3-10.5 HA LEU 38 - HB3 GLU 35 far 0 83 0 - 7.4-8.0 HA LYS 94 - HB2 GLU 99 far 0 76 0 - 7.4-10.5 HB2 SER 102 - HB2 GLU 98 far 0 57 0 - 7.6-13.2 HB2 SER 102 - HB3 GLU 98 far 0 55 0 - 7.8-13.3 HA ARG 91 - HB2 GLU 98 far 0 65 0 - 8.2-9.2 HA LEU 38 - HB3 GLU 43 far 0 99 0 - 8.3-9.0 HA LYS 94 - HB3 GLU 99 far 0 61 0 - 8.4-10.1 HA ALA 71 - HB3 GLU 43 far 0 93 0 - 9.5-10.2 HA ARG 91 - HB3 GLU 98 far 0 63 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 1970 from cnoeabs.peaks (8.19, 2.06, 29.24 ppm; 3.34 A): 1 out of 15 assignments used, quality = 1.00: * H GLU 43 + HB3 GLU 43 OK 100 100 100 100 2.3-2.7 6694=100, 1962/1.8=63...(14) H ASP 36 - HB3 GLU 35 far 0 83 0 - 3.8-4.1 H SER 97 - HB2 GLU 98 far 0 65 0 - 4.3-5.0 H SER 97 - HB2 GLU 99 far 0 61 0 - 4.6-7.5 H PHE 96 - HB2 GLU 99 far 0 65 0 - 4.7-7.7 H PHE 96 - HB2 GLU 98 far 0 70 0 - 4.8-5.9 H PHE 96 - HB3 GLU 99 far 0 52 0 - 5.7-7.3 H SER 97 - HB3 GLU 98 far 0 63 0 - 5.8-6.3 H GLU 104 - HB3 GLU 99 far 0 48 0 - 5.8-13.9 H SER 97 - HB3 GLU 99 far 0 48 0 - 5.9-7.1 H GLU 104 - HB2 GLU 99 far 0 61 0 - 6.3-13.5 H PHE 96 - HB3 GLU 98 far 0 68 0 - 6.5-7.5 H HIS 106 - HB3 GLU 99 far 0 29 0 - 8.0-16.2 H LYS 68 - HB3 GLU 35 far 0 84 0 - 9.0-10.0 H HIS 106 - HB2 GLU 99 far 0 38 0 - 9.8-17.9 Violated in 0 structures by 0.00 A. Peak 1971 from cnoeabs.peaks (3.88, 2.06, 29.24 ppm; 3.15 A): 2 out of 31 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 2.4-2.6 3.0=100 HA LYS 40 - HB3 GLU 43 poor 13 94 40 36 2.9-3.9 6692/6694=18...(5) HB2 SER 102 - HB3 GLU 99 far 6 58 10 - 3.1-11.7 HA3 GLY 101 - HB3 GLU 99 far 0 59 0 - 3.8-7.4 HA2 GLY 101 - HB2 GLU 99 far 0 67 0 - 3.8-6.9 HA2 GLY 101 - HB3 GLU 99 far 0 54 0 - 4.0-7.6 HA2 GLY 100 - HB3 GLU 99 far 0 54 0 - 4.1-6.1 HA2 GLY 100 - HB2 GLU 99 far 0 67 0 - 4.5-5.5 HB2 SER 102 - HB2 GLU 99 far 0 72 0 - 4.6-11.2 HA LYS 94 - HB2 GLU 98 far 0 72 0 - 4.8-6.3 HA3 GLY 101 - HB2 GLU 99 far 0 73 0 - 4.9-6.5 HA LYS 12 - HB2 GLU 16 far 0 74 0 - 5.0-6.5 HA GLU 63 - HB3 GLU 35 far 0 57 0 - 5.7-7.2 HA2 GLY 101 - HB3 GLU 98 far 0 70 0 - 6.3-10.6 HA ALA 67 - HB3 GLU 35 far 0 61 0 - 6.4-7.3 HA LYS 94 - HB3 GLU 98 far 0 70 0 - 6.5-7.5 HA2 GLY 100 - HB3 GLU 98 far 0 70 0 - 6.6-8.0 HA2 GLY 101 - HB2 GLU 98 far 0 72 0 - 6.7-10.5 HA2 GLY 100 - HB2 GLU 98 far 0 72 0 - 6.9-8.0 HA3 GLY 101 - HB2 GLU 98 far 0 78 0 - 7.3-10.2 HA3 GLY 101 - HB3 GLU 98 far 0 76 0 - 7.3-10.5 HA LEU 38 - HB3 GLU 35 far 0 83 0 - 7.4-8.0 HA LYS 94 - HB2 GLU 99 far 0 67 0 - 7.4-10.5 HB2 SER 102 - HB2 GLU 98 far 0 77 0 - 7.6-13.2 HB2 SER 102 - HB3 GLU 98 far 0 75 0 - 7.8-13.3 HA ARG 91 - HB2 GLU 98 far 0 80 0 - 8.2-9.2 HA LEU 38 - HB3 GLU 43 far 0 99 0 - 8.3-9.0 HA LYS 94 - HB3 GLU 99 far 0 54 0 - 8.4-10.1 HA ALA 71 - HB3 GLU 43 far 0 63 0 - 9.5-10.2 HA ARG 91 - HB3 GLU 98 far 0 78 0 - 9.7-10.8 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 30 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 - 4.7-5.6 HB3 LYS 13 - HB2 GLU 16 far 0 95 0 - 5.1-5.8 HB2 LYS 94 - HB2 GLU 98 far 0 73 0 - 5.3-7.0 HB3 LYS 20 - HB2 GLU 16 far 0 74 0 - 5.4-7.2 HB2 LYS 20 - HB2 GLU 16 far 0 88 0 - 5.5-7.5 HB2 GLU 17 - HB2 GLU 16 far 0 61 0 - 5.6-5.9 HB3 LYS 12 - HB2 GLU 16 far 0 51 0 - 5.8-7.3 HB2 LYS 13 - HB2 GLU 16 far 0 94 0 - 5.8-6.7 HB2 LYS 20 - HB2 GLU 23 far 0 68 0 - 6.3-7.0 HB2 ARG 19 - HB2 GLU 23 far 0 70 0 - 6.3-7.4 HB3 LYS 20 - HB2 GLU 23 far 0 54 0 - 6.4-7.7 HB2 ARG 19 - HB2 GLU 16 far 0 91 0 - 6.4-7.3 HB2 LYS 94 - HB3 GLU 98 far 0 71 0 - 6.5-8.4 HB3 LEU 14 - HB2 GLU 16 far 0 96 0 - 6.8-7.9 HG LEU 42 - HB3 GLU 43 far 0 99 0 - 6.8-7.4 HB3 ARG 19 - HB2 GLU 23 far 0 61 0 - 7.2-8.4 HB3 GLU 104 - HB3 GLU 99 far 0 33 0 - 7.4-17.0 HB3 LYS 47 - HB3 GLU 43 far 0 94 0 - 7.6-8.7 HB VAL 32 - HB3 GLU 35 far 0 53 0 - 8.2-8.7 HB2 LYS 94 - HB2 GLU 99 far 0 68 0 - 8.6-11.3 HB2 MET 1 - HB3 GLU 99 far 0 34 0 - 8.6-11.9 HB3 GLU 104 - HB2 GLU 99 far 0 42 0 - 8.7-16.5 HB2 LYS 33 - HB3 GLU 35 far 0 82 0 - 8.9-9.2 HB2 MET 1 - HB2 GLU 99 far 0 44 0 - 8.9-11.5 HB2 LYS 94 - HB3 GLU 99 far 0 55 0 - 9.1-11.3 HB ILE 8 - HB3 GLU 35 far 0 82 0 - 9.2-10.4 HB3 GLU 104 - HB3 GLU 98 far 0 44 0 - 9.5-18.3 HB3 LYS 33 - HB3 GLU 35 far 0 83 0 - 9.6-10.0 HG LEU 42 - HB3 GLU 35 far 0 82 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 1973 from cnoeabs.peaks (2.06, 2.06, 29.24 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HB3 GLU 43 + HB3 GLU 43 OK 100 100 - 100 HB2 GLU 16 + HB2 GLU 16 OK 93 93 - 100 HB3 GLU 35 + HB3 GLU 35 OK 77 77 - 100 HB2 GLU 98 + HB2 GLU 98 OK 69 69 - 100 HB3 GLU 98 + HB3 GLU 98 OK 66 66 - 100 HB2 GLU 99 + HB2 GLU 99 OK 63 63 - 100 HB2 GLU 23 + HB2 GLU 23 OK 62 62 - 100 HB3 GLU 99 + HB3 GLU 99 OK 44 44 - 100 Peak 1974 from cnoeabs.peaks (2.19, 2.06, 29.24 ppm; 2.40 A): 6 out of 25 assignments used, quality = 0.99: HB3 GLU 16 + HB2 GLU 16 OK 81 81 100 100 1.8-1.8 1.8=100 HG3 GLU 35 + HB3 GLU 35 OK 60 83 90 80 2.2-3.0 2.9=54, 1.8/1558=16...(16) 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 38 58 90 73 2.3-2.9 3.0=51, 4365/3.0=17...(9) * HG2 GLU 43 + HB3 GLU 43 OK 28 100 35 79 2.2-3.0 3.0=51, 1977/6694=21...(12) HG2 GLU 99 + HB2 GLU 99 OK 25 47 65 81 2.5-3.0 3.0=53, 7606/3.9=14...(14) HG2 GLU 35 - HB3 GLU 35 poor 17 83 25 81 2.2-3.0 2.9=54, 1.8/1980=16...(17) HG2 GLU 99 - HB3 GLU 99 poor 11 37 30 - 2.5-3.0 HG2 GLU 98 - HB2 GLU 98 far 0 60 0 - 2.8-3.0 HG2 GLU 99 - HB2 GLU 98 far 0 51 0 - 3.1-5.2 HG2 GLU 99 - HB3 GLU 98 far 0 49 0 - 4.0-6.0 HB3 GLU 95 - HB3 GLU 99 far 0 40 0 - 4.1-8.2 HB3 GLU 95 - HB2 GLU 99 far 0 51 0 - 4.2-7.1 HB2 GLU 95 - HB2 GLU 98 far 0 73 0 - 4.4-6.5 HB3 GLU 95 - HB2 GLU 98 far 0 55 0 - 4.5-6.2 HB2 GLU 95 - HB2 GLU 99 far 0 68 0 - 4.7-8.6 HB2 GLU 95 - HB3 GLU 98 far 0 71 0 - 5.6-8.2 HB2 GLU 95 - HB3 GLU 99 far 0 55 0 - 5.7-8.2 HB3 GLU 95 - HB3 GLU 98 far 0 54 0 - 5.8-7.8 HG2 GLU 98 - HB3 GLU 99 far 0 44 0 - 6.8-8.4 HG2 GLU 98 - HB2 GLU 99 far 0 56 0 - 6.9-8.3 HG3 PRO 86 - HB2 GLU 16 far 0 95 0 - 7.1-9.2 HB2 GLU 63 - HB3 GLU 35 far 0 83 0 - 7.5-8.9 HG2 MET 1 - HB3 GLU 99 far 0 59 0 - 8.2-11.7 HG2 MET 1 - HB2 GLU 99 far 0 73 0 - 8.6-11.0 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 7 assignments used, quality = 1.00: * HG3 GLU 43 + HB3 GLU 43 OK 95 100 100 95 2.2-3.0 3.0=77, 6696/6694=30...(18) HG2 GLU 16 + HB2 GLU 16 OK 87 89 100 98 2.6-2.9 3.0=76, 712/3.0=33...(18) HG3 GLU 16 + HB2 GLU 16 OK 77 80 100 97 2.2-2.8 3.0=76, 1.8/713=28...(17) HG3 GLU 44 - HB3 GLU 43 far 0 75 0 - 6.2-6.7 HB2 TYR 41 - HB3 GLU 43 far 0 99 0 - 6.7-7.1 HG2 GLU 63 - HB3 GLU 35 far 0 64 0 - 7.0-9.2 HG2 GLU 48 - HB3 GLU 43 far 0 99 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 1976 from cnoeabs.peaks (7.60, 2.06, 29.24 ppm; 3.41 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 44 + HB3 GLU 43 OK 100 100 100 100 2.4-2.7 6707=100, 6706/1.8=61...(8) H LYS 24 - HB2 GLU 23 far 0 54 0 - 3.8-4.0 H LYS 40 - HB3 GLU 43 far 0 75 0 - 5.4-6.4 H LYS 40 - HB3 GLU 35 far 0 57 0 - 7.8-8.5 H GLU 48 - HB3 GLU 43 far 0 97 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 1977 from cnoeabs.peaks (8.19, 2.19, 36.31 ppm; 3.66 A): 1 out of 10 assignments used, quality = 1.00: * H GLU 43 + HG2 GLU 43 OK 100 100 100 100 2.1-2.9 6695=88, 6696/1.8=76...(15) H ASP 36 - HG2 GLU 35 far 14 95 15 - 3.6-5.0 H ASP 36 - HG3 GLU 35 far 5 95 5 - 3.9-5.1 H SER 97 - HG2 GLU 98 far 0 33 0 - 5.4-6.2 H PHE 96 - HG2 GLU 98 far 0 35 0 - 6.8-7.9 H LYS 68 - HG3 GLU 35 far 0 96 0 - 7.7-9.7 H LYS 68 - HG2 GLU 35 far 0 96 0 - 8.1-10.6 H GLU 43 - HG2 GLU 35 far 0 97 0 - 9.2-11.6 H GLU 43 - HG3 GLU 35 far 0 97 0 - 9.7-11.6 H ASP 36 - HG2 GLU 43 far 0 99 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 1978 from cnoeabs.peaks (3.88, 2.19, 36.31 ppm; 3.16 A): 3 out of 28 assignments used, quality = 1.00: * HA GLU 43 + HG2 GLU 43 OK 94 100 95 99 2.3-3.6 3.7=64, 2.9/1977=42...(21) HA GLU 35 + HG2 GLU 35 OK 85 96 90 97 2.6-3.6 4.1=47, 3.6/6561=22...(26) HA GLU 35 + HG3 GLU 35 OK 60 96 65 95 2.3-3.6 4.1=47, 1532/1.8=25...(24) HA LYS 40 - HG2 GLU 43 poor 14 94 30 50 2.0-4.2 1985/1.8=17...(8) HA ALA 67 - HG3 GLU 35 far 0 73 0 - 5.1-7.1 HA LYS 94 - HG2 GLU 98 far 0 37 0 - 5.2-6.6 HA ALA 67 - HG2 GLU 35 far 0 73 0 - 5.4-7.7 HA2 GLY 101 - HG2 GLU 98 far 0 37 0 - 5.6-12.0 HA GLU 63 - HG3 GLU 35 far 0 69 0 - 6.1-8.6 HA LEU 38 - HG2 GLU 35 far 0 95 0 - 6.3-8.2 HA LEU 38 - HG3 GLU 35 far 0 95 0 - 6.3-8.3 HA3 GLY 101 - HG2 GLU 98 far 0 40 0 - 6.6-11.9 HA GLU 63 - HG2 GLU 35 far 0 69 0 - 6.6-9.4 HA ALA 71 - HG2 GLU 43 far 0 63 0 - 7.3-9.0 HA2 GLY 100 - HG2 GLU 98 far 0 37 0 - 7.4-8.9 HA ALA 71 - HG2 GLU 75 far 0 23 0 - 7.5-9.3 HA ALA 71 - HG3 GLU 75 far 0 25 0 - 7.6-9.5 HA LEU 38 - HG2 GLU 43 far 0 99 0 - 7.7-9.0 HA LYS 40 - HG2 GLU 35 far 0 88 0 - 8.2-10.4 HB3 SER 49 - HG3 GLU 75 far 0 35 0 - 8.2-9.6 HA LYS 40 - HG3 GLU 35 far 0 88 0 - 8.4-10.3 HA ALA 71 - HG3 GLU 35 far 0 58 0 - 8.5-9.8 HA ALA 71 - HG2 GLU 35 far 0 58 0 - 8.5-10.2 HB3 SER 49 - HG2 GLU 75 far 0 33 0 - 8.5-10.1 HA ARG 91 - HG2 GLU 98 far 0 42 0 - 9.3-10.6 HA GLU 43 - HG3 GLU 75 far 0 49 0 - 9.7-12.0 HB2 SER 102 - HG2 GLU 98 far 0 40 0 - 9.9-15.2 HA GLU 43 - HG2 GLU 75 far 0 46 0 - 9.9-12.0 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 9 assignments used, quality = 1.00: * HB2 GLU 43 + HG2 GLU 43 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 LYS 94 - HG2 GLU 98 far 0 37 0 - 5.2-7.5 HG LEU 42 - HG2 GLU 43 far 0 99 0 - 5.9-6.8 HG LEU 42 - HG2 GLU 35 far 0 94 0 - 7.8-9.4 HG LEU 42 - HG3 GLU 35 far 0 94 0 - 7.9-10.0 HB VAL 32 - HG3 GLU 35 far 0 64 0 - 8.3-10.1 HB VAL 32 - HG2 GLU 35 far 0 64 0 - 8.4-10.0 HB3 LYS 47 - HG2 GLU 43 far 0 94 0 - 9.3-10.4 HB ILE 8 - HG3 GLU 35 far 0 94 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 1980 from cnoeabs.peaks (2.06, 2.19, 36.31 ppm; 2.67 A increased from 2.51 A): 4 out of 16 assignments used, quality = 0.99: * HB3 GLU 43 + HG2 GLU 43 OK 87 100 95 92 2.2-3.0 3.0=71, 6694/1977=27...(14) HB3 GLU 35 + HG3 GLU 35 OK 78 90 95 91 2.2-3.0 2.9=75, 6551/4.9=14...(19) HB3 GLU 35 + HG2 GLU 35 OK 55 90 65 93 2.2-3.0 2.9=75, 1545/1.8=27...(20) HB3 GLU 98 + HG2 GLU 98 OK 30 34 100 87 2.3-2.9 3.0=70, 3.0/4365=25...(11) HB2 GLU 98 - HG2 GLU 98 far 5 35 15 - 2.8-3.0 HB3 LEU 38 - HG2 GLU 35 far 0 95 0 - 3.9-6.1 HB3 LEU 38 - HG3 GLU 35 far 0 95 0 - 4.2-6.0 HB2 MET 74 - HG3 GLU 75 far 0 49 0 - 5.0-7.1 HB2 MET 74 - HG2 GLU 75 far 0 46 0 - 5.0-7.3 HB2 MET 74 - HG2 GLU 43 far 0 100 0 - 5.6-7.7 QE MET 21 - HG2 GLU 98 far 0 24 0 - 6.5-7.8 HB3 GLU 99 - HG2 GLU 98 far 0 29 0 - 6.8-8.4 HB2 GLU 99 - HG2 GLU 98 far 0 34 0 - 6.9-8.3 HB3 LEU 38 - HG2 GLU 43 far 0 99 0 - 8.2-10.4 HB3 GLU 62 - HG3 GLU 35 far 0 81 0 - 9.6-12.0 HB2 MET 74 - HG2 GLU 35 far 0 97 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 1981 from cnoeabs.peaks (2.19, 2.19, 36.31 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HG2 GLU 43 + HG2 GLU 43 OK 100 100 - 100 HG2 GLU 35 + HG2 GLU 35 OK 95 95 - 100 HG3 GLU 35 + HG3 GLU 35 OK 95 95 - 100 HG3 GLU 75 + HG3 GLU 75 OK 45 45 - 100 HG2 GLU 75 + HG2 GLU 75 OK 41 41 - 100 HG2 GLU 98 + HG2 GLU 98 OK 29 29 - 100 Peak 1982 from cnoeabs.peaks (2.32, 2.19, 36.31 ppm; 2.67 A): 1 out of 9 assignments used, quality = 1.00: * HG3 GLU 43 + HG2 GLU 43 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 TYR 41 - HG2 GLU 43 far 0 99 0 - 7.1-8.5 HG2 GLU 63 - HG3 GLU 35 far 0 76 0 - 7.7-11.1 HG3 GLU 44 - HG2 GLU 43 far 0 75 0 - 8.4-8.9 HG3 GLU 69 - HG3 GLU 35 far 0 88 0 - 8.8-10.8 HG3 GLU 43 - HG2 GLU 35 far 0 97 0 - 9.1-11.6 HG2 GLU 63 - HG2 GLU 35 far 0 76 0 - 9.2-11.4 HG3 GLU 43 - HG3 GLU 35 far 0 97 0 - 9.4-11.5 HG3 GLU 69 - HG2 GLU 35 far 0 88 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 1983 from cnoeabs.peaks (7.60, 2.19, 36.31 ppm; 4.92 A increased from 4.37 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 44 + HG2 GLU 43 OK 100 100 100 100 4.1-4.7 6708=100, 6707/3.0=91...(10) H LYS 40 - HG2 GLU 43 poor 19 75 30 85 4.4-6.0 6638/10591=31...(11) H LYS 40 - HG2 GLU 35 far 0 69 0 - 5.9-8.1 H LYS 40 - HG3 GLU 35 far 0 69 0 - 6.1-7.9 H GLU 48 - HG2 GLU 43 far 0 97 0 - 9.7-10.8 Violated in 0 structures by 0.00 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 2.2-3.3 6696=100, 1977/1.8=77...(19) H LYS 68 - HG3 GLU 69 far 0 43 0 - 4.9-6.2 H LYS 68 - HG2 GLU 63 far 0 41 0 - 8.9-9.6 H ASP 36 - HG3 GLU 43 far 0 99 0 - 9.9-11.7 H ASP 36 - HG2 GLU 63 far 0 41 0 - 9.9-11.3 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 13 assignments used, quality = 1.00: * HA GLU 43 + HG3 GLU 43 OK 100 100 100 100 2.2-3.8 3.7=88, 2.9/6696=54...(29) HA LYS 40 + HG3 GLU 43 OK 51 94 85 64 2.0-4.6 1956=24, 6692/6696=20...(10) HA GLU 63 + HG2 GLU 63 OK 26 26 100 98 2.4-3.7 3.8=76, 2767/1.8=44...(15) HA LYS 12 - HG2 GLU 16 poor 13 44 30 - 3.7-5.5 HA LYS 12 - HG3 GLU 16 far 0 33 0 - 3.9-4.9 HA ALA 67 - HG3 GLU 69 far 0 29 0 - 7.2-8.1 HA GLU 35 - HG2 GLU 63 far 0 42 0 - 7.4-9.0 HA LEU 38 - HG3 GLU 43 far 0 99 0 - 7.5-9.4 HA ALA 71 - HG3 GLU 43 far 0 63 0 - 7.9-9.5 HA ALA 67 - HG2 GLU 63 far 0 28 0 - 8.0-8.6 HA ALA 71 - HG3 GLU 69 far 0 22 0 - 8.7-9.0 HA GLU 63 - HG3 GLU 69 far 0 27 0 - 9.1-10.5 HA GLU 35 - HG3 GLU 43 far 0 100 0 - 9.9-11.6 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 26 assignments used, quality = 1.00: * HB2 GLU 43 + HG3 GLU 43 OK 100 100 100 100 2.6-3.0 3.0=100 HB ILE 8 - HG2 GLU 63 far 0 40 0 - 3.8-6.1 HB3 ARG 19 - HG2 GLU 16 far 0 49 0 - 4.0-5.2 HB3 LYS 12 - HG3 GLU 16 far 0 22 0 - 4.3-5.2 HB3 LYS 12 - HG2 GLU 16 far 0 29 0 - 4.8-6.5 HB3 LYS 13 - HG3 GLU 16 far 0 47 0 - 5.2-6.4 HB2 ARG 19 - HG2 GLU 16 far 0 57 0 - 5.2-6.5 HB3 LYS 68 - HG3 GLU 69 far 0 24 0 - 5.4-6.7 HB2 LYS 13 - HG3 GLU 16 far 0 46 0 - 5.6-6.8 HB3 ARG 19 - HG3 GLU 16 far 0 37 0 - 5.6-6.3 HB2 LYS 20 - HG2 GLU 16 far 0 55 0 - 6.2-8.8 HG LEU 42 - HG3 GLU 43 far 0 99 0 - 6.2-7.5 HB3 LYS 13 - HG2 GLU 16 far 0 61 0 - 6.7-7.8 HB2 LYS 13 - HG2 GLU 16 far 0 60 0 - 6.8-7.9 HB2 ARG 19 - HG3 GLU 16 far 0 44 0 - 6.9-7.9 HB3 LYS 20 - HG2 GLU 16 far 0 44 0 - 7.0-8.7 HB VAL 32 - HG2 GLU 63 far 0 24 0 - 7.0-8.6 HB3 LEU 14 - HG3 GLU 16 far 0 48 0 - 7.0-8.3 HB2 LYS 20 - HG3 GLU 16 far 0 42 0 - 7.1-9.3 HB3 LEU 14 - HG2 GLU 16 far 0 62 0 - 7.2-8.6 HB3 LYS 20 - HG3 GLU 16 far 0 33 0 - 7.4-9.3 HB2 GLU 17 - HG3 GLU 16 far 0 26 0 - 7.5-8.3 HB2 GLU 17 - HG2 GLU 16 far 0 35 0 - 7.8-8.2 HB3 LYS 33 - HG2 GLU 63 far 0 41 0 - 8.6-10.0 HB2 LYS 33 - HG2 GLU 63 far 0 40 0 - 9.3-10.6 HB3 LYS 47 - HG3 GLU 43 far 0 94 0 - 9.4-10.2 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 9 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 2.6-2.9 3.0=100 HB2 GLU 16 + HG3 GLU 16 OK 46 46 100 100 2.2-2.8 3.0=100 HB3 GLU 62 - HG2 GLU 63 far 0 32 0 - 4.3-6.9 HB2 MET 74 - HG3 GLU 43 far 0 100 0 - 5.7-7.9 HB3 GLU 35 - HG2 GLU 63 far 0 37 0 - 7.0-9.2 HB3 LEU 38 - HG2 GLU 63 far 0 41 0 - 8.0-9.6 HB3 LEU 38 - HG3 GLU 43 far 0 99 0 - 8.6-10.8 HB2 MET 21 - HG2 GLU 16 far 0 57 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 1988 from cnoeabs.peaks (2.19, 2.32, 36.31 ppm; 2.41 A): 2 out of 14 assignments used, quality = 1.00: * HG2 GLU 43 + HG3 GLU 43 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 63 + HG2 GLU 63 OK 27 41 90 73 2.4-2.7 3.0=52, 3.0/2766=16...(8) HB3 GLU 16 - HG3 GLU 16 poor 13 37 35 - 2.2-2.9 HB3 GLU 16 - HG2 GLU 16 far 0 49 0 - 2.7-3.0 HB2 GLN 72 - HG3 GLU 69 far 0 32 0 - 5.1-6.0 HG3 GLU 35 - HG2 GLU 63 far 0 41 0 - 7.7-11.1 HG3 GLU 35 - HG3 GLU 69 far 0 43 0 - 8.8-10.8 HG3 PRO 86 - HG3 GLU 16 far 0 47 0 - 8.9-11.1 HG2 GLU 35 - HG3 GLU 43 far 0 99 0 - 9.1-11.6 HG2 GLU 35 - HG2 GLU 63 far 0 41 0 - 9.2-11.4 HG3 PRO 86 - HG2 GLU 16 far 0 61 0 - 9.3-11.7 HG3 GLU 35 - HG3 GLU 43 far 0 99 0 - 9.4-11.5 HB3 GLU 75 - HG3 GLU 43 far 0 100 0 - 9.5-12.7 HG2 GLU 35 - HG3 GLU 69 far 0 43 0 - 9.7-11.6 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 3.9-4.9 6707/3.0=89, 6706/3.0=82...(9) H LYS 40 + HG3 GLU 43 OK 47 75 75 84 4.3-6.5 2.9/1956=29...(16) HD22 ASN 10 - HG2 GLU 63 far 0 42 0 - 6.8-10.9 H GLU 48 - HG3 GLU 43 far 0 97 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 1991 from cnoeabs.peaks (7.60, 3.94, 58.87 ppm; 3.55 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 44 + HA GLU 44 OK 100 100 100 100 2.8-2.9 3.0=100 H GLU 48 - HA GLU 44 far 0 97 0 - 5.5-6.0 H LYS 40 - HA GLU 44 far 0 75 0 - 9.4-9.7 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 5 assignments used, quality = 1.00: * HB2 GLU 44 + HA GLU 44 OK 100 100 100 100 3.0-3.0 3.0=93, 3.0/1995=36...(23) HB3 GLU 44 + HA GLU 44 OK 100 100 100 100 2.4-2.4 3.0=93, 3.0/1995=36...(22) HB2 LYS 47 - HA GLU 44 far 0 73 0 - 5.0-5.2 HB2 ARG 46 - HA GLU 44 far 0 84 0 - 5.0-6.6 QE MET 74 - HA GLU 44 far 0 100 0 - 6.7-7.6 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 5 assignments used, quality = 1.00: HB2 GLU 44 + HA GLU 44 OK 100 100 100 100 3.0-3.0 3.0=93, 3.0/1995=36...(23) * HB3 GLU 44 + HA GLU 44 OK 100 100 100 100 2.4-2.4 3.0=93, 3.0/1995=36...(22) HB2 LYS 47 - HA GLU 44 far 0 73 0 - 5.0-5.2 HB2 ARG 46 - HA GLU 44 far 0 84 0 - 5.0-6.6 QE MET 74 - HA GLU 44 far 0 100 0 - 6.7-7.6 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 3.3-3.8 2018=80, 1.8/1996=72...(16) Violated in 2 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 2.6-2.7 2025=91, 1.8/1995=75...(19) HG2 GLU 48 - HA GLU 44 far 0 92 0 - 5.8-8.9 HG3 GLU 43 - HA GLU 44 far 0 75 0 - 6.2-6.6 HB2 TYR 41 - HA GLU 44 far 0 59 0 - 7.4-7.9 Violated in 0 structures by 0.00 A. Peak 1997 from cnoeabs.peaks (8.26, 3.94, 58.87 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 45 + HA GLU 44 OK 100 100 100 100 3.5-3.6 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 3.7-3.9 6758=100, 6755/6740=54...(13) HE ARG 46 - HA GLU 44 far 0 100 0 - 6.3-10.3 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 6 assignments used, quality = 0.93: HB3 GLU 44 + HA GLU 44 OK 73 73 100 100 2.4-2.4 3.0=100 HB2 GLU 44 + HA GLU 44 OK 73 73 100 100 3.0-3.0 3.0=100 HB3 ARG 46 - HA GLU 44 far 0 99 0 - 4.8-6.2 ! HB2 LYS 47 - HA GLU 44 far 0 100 0 - 5.0-5.2 HB2 ARG 46 - HA GLU 44 far 0 100 0 - 5.0-6.6 QE MET 74 - HA GLU 44 far 0 71 0 - 6.7-7.6 Violated in 0 structures by 0.00 A. Peak 2000 from cnoeabs.peaks (1.92, 3.94, 58.87 ppm; 4.51 A increased from 3.80 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 47 + HA GLU 44 OK 100 100 100 100 3.9-4.4 2145=100, 2146/6758=61...(13) HB2 GLU 43 + HA GLU 44 OK 93 94 100 99 4.1-4.6 6706/3.0=72, ~6707=56...(10) HB3 ARG 46 - HA GLU 44 far 0 68 0 - 4.8-6.2 HG LEU 42 - HA GLU 44 far 0 81 0 - 8.9-9.0 Violated in 0 structures by 0.00 A. Peak 2001 from cnoeabs.peaks (3.93, 2.00, 28.65 ppm; 2.92 A): 2 out of 9 assignments used, quality = 1.00: HA GLU 44 + HB2 GLU 44 OK 98 99 100 100 3.0-3.0 3.0=91, 1995/3.0=34...(20) HA GLU 44 + HB3 GLU 44 OK 98 99 100 99 2.4-2.4 3.0=91, 1995/3.0=34...(19) ! HA TYR 41 - HB2 GLU 44 far 0 100 0 - 3.2-3.5 HA GLU 63 - HB2 GLU 62 far 0 78 0 - 3.8-3.9 HA TYR 41 - HB3 GLU 44 far 0 100 0 - 4.1-4.7 HA ALA 89 - HB3 GLU 17 far 0 46 0 - 7.1-7.5 HB3 SER 9 - HB3 GLU 17 far 0 63 0 - 8.0-8.8 HB2 SER 85 - HB3 GLU 17 far 0 48 0 - 8.5-9.4 HA ARG 91 - HB3 GLU 17 far 0 30 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 2002 from cnoeabs.peaks (7.60, 2.00, 28.65 ppm; 3.15 A): 2 out of 9 assignments used, quality = 1.00: * H GLU 44 + HB2 GLU 44 OK 99 100 100 99 2.3-2.4 3.9=51, 6722/6725=44...(19) H GLU 44 + HB3 GLU 44 OK 98 100 100 98 2.7-2.8 3.9=51, 6711/1.8=40...(18) HE22 GLN 50 - HB2 GLN 50 poor 14 41 35 - 2.1-4.4 H GLU 48 - HB2 GLN 50 far 0 47 0 - 6.5-8.1 H GLU 88 - HB3 GLU 17 far 0 41 0 - 6.7-7.3 H GLU 48 - HB2 GLU 44 far 0 97 0 - 6.8-7.7 H GLU 48 - HB3 GLU 44 far 0 97 0 - 7.2-8.0 H LYS 40 - HB2 GLU 44 far 0 75 0 - 7.9-8.2 H LYS 40 - HB3 GLU 44 far 0 75 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 2003 from cnoeabs.peaks (3.94, 2.00, 28.65 ppm; 2.92 A): 2 out of 8 assignments used, quality = 1.00: * HA GLU 44 + HB2 GLU 44 OK 100 100 100 100 3.0-3.0 3.0=91, 1995/3.0=35...(20) HA GLU 44 + HB3 GLU 44 OK 99 100 100 99 2.4-2.4 3.0=91, 1995/3.0=35...(19) HA TYR 41 - HB2 GLU 44 far 0 99 0 - 3.2-3.5 HA GLU 63 - HB2 GLU 62 far 0 68 0 - 3.8-3.9 HA TYR 41 - HB3 GLU 44 far 0 99 0 - 4.1-4.7 HA ALA 89 - HB3 GLU 17 far 0 34 0 - 7.1-7.5 HB3 SER 9 - HB3 GLU 17 far 0 60 0 - 8.0-8.8 HB2 SER 85 - HB3 GLU 17 far 0 37 0 - 8.5-9.4 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): 1 out of 12 assignments used, quality = 0.88: * HG2 GLU 44 + HB2 GLU 44 OK 88 100 100 88 2.2-2.4 3.0=59, 1995/3.0=25...(13) HB2 PRO 86 - HB3 GLU 17 poor 13 57 65 35 2.4-3.3 ~9894=9, 12333/3.0=7...(9) HG2 GLU 44 - HB3 GLU 44 far 10 100 10 - 2.7-3.0 HB3 PRO 86 - HB3 GLU 17 far 6 41 15 - 2.7-3.2 HB3 GLU 16 - HB3 GLU 17 far 0 40 0 - 5.3-6.0 HB2 LEU 64 - HB2 GLU 62 far 0 69 0 - 6.5-6.8 QE MET 21 - HB3 GLU 17 far 0 34 0 - 7.5-8.4 HB VAL 83 - HB3 GLU 17 far 0 51 0 - 8.4-8.9 HG2 GLU 88 - HB3 GLU 17 far 0 62 0 - 8.6-10.8 HB2 GLU 69 - HB2 GLU 62 far 0 82 0 - 8.7-9.5 HG2 GLU 69 - HB2 GLU 62 far 0 82 0 - 8.8-9.8 HB3 GLU 37 - HB2 GLU 44 far 0 99 0 - 9.7-10.2 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 2.4-2.9 3.0=100 * HG3 GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 TYR 41 - HB2 GLU 44 far 0 59 0 - 4.5-5.2 HG2 GLU 48 - HB2 GLN 50 far 0 43 0 - 5.3-8.4 HB2 TYR 41 - HB3 GLU 44 far 0 59 0 - 5.9-6.7 HG3 GLU 43 - HB2 GLU 44 far 0 75 0 - 5.9-7.2 HG3 GLU 43 - HB3 GLU 44 far 0 75 0 - 6.0-7.1 HG2 GLU 16 - HB3 GLU 17 far 0 57 0 - 6.5-7.3 HG2 GLU 48 - HB2 GLU 44 far 0 92 0 - 6.9-10.3 HG2 GLU 48 - HB3 GLU 44 far 0 92 0 - 7.2-10.5 Violated in 0 structures by 0.00 A. Peak 2008 from cnoeabs.peaks (8.26, 2.00, 28.65 ppm; 3.58 A): 1 out of 4 assignments used, quality = 1.00: * H PHE 45 + HB2 GLU 44 OK 100 100 100 100 2.5-3.0 6725=100, 6722/3.9=45...(9) H PHE 45 - HB3 GLU 44 far 0 100 0 - 3.9-4.2 H GLU 23 - HB3 GLU 17 far 0 56 0 - 9.7-10.2 H LYS 94 - HB3 GLU 17 far 0 63 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 2009 from cnoeabs.peaks (3.93, 2.00, 28.65 ppm; 2.92 A): 2 out of 9 assignments used, quality = 1.00: HA GLU 44 + HB2 GLU 44 OK 98 99 100 100 3.0-3.0 3.0=91, 1995/3.0=34...(20) HA GLU 44 + HB3 GLU 44 OK 98 99 100 99 2.4-2.4 3.0=91, 1995/3.0=34...(19) HA TYR 41 - HB2 GLU 44 far 0 100 0 - 3.2-3.5 HA GLU 63 - HB2 GLU 62 far 0 78 0 - 3.8-3.9 ! HA TYR 41 - HB3 GLU 44 far 0 100 0 - 4.1-4.7 HA ALA 89 - HB3 GLU 17 far 0 46 0 - 7.1-7.5 HB3 SER 9 - HB3 GLU 17 far 0 63 0 - 8.0-8.8 HB2 SER 85 - HB3 GLU 17 far 0 48 0 - 8.5-9.4 HA ARG 91 - HB3 GLU 17 far 0 30 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 2010 from cnoeabs.peaks (7.60, 2.00, 28.65 ppm; 3.15 A): 2 out of 9 assignments used, quality = 1.00: H GLU 44 + HB2 GLU 44 OK 99 100 100 99 2.3-2.4 3.9=51, 6722/6725=44...(19) * H GLU 44 + HB3 GLU 44 OK 98 100 100 98 2.7-2.8 3.9=51, 6711/1.8=40...(18) HE22 GLN 50 - HB2 GLN 50 poor 14 41 35 - 2.1-4.4 H GLU 48 - HB2 GLN 50 far 0 47 0 - 6.5-8.1 H GLU 88 - HB3 GLU 17 far 0 41 0 - 6.7-7.3 H GLU 48 - HB2 GLU 44 far 0 97 0 - 6.8-7.7 H GLU 48 - HB3 GLU 44 far 0 97 0 - 7.2-8.0 H LYS 40 - HB2 GLU 44 far 0 75 0 - 7.9-8.2 H LYS 40 - HB3 GLU 44 far 0 75 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 2011 from cnoeabs.peaks (3.94, 2.00, 28.65 ppm; 2.92 A): 2 out of 8 assignments used, quality = 1.00: HA GLU 44 + HB2 GLU 44 OK 100 100 100 100 3.0-3.0 3.0=91, 1995/3.0=35...(20) * HA GLU 44 + HB3 GLU 44 OK 99 100 100 99 2.4-2.4 3.0=91, 1995/3.0=35...(19) HA TYR 41 - HB2 GLU 44 far 0 99 0 - 3.2-3.5 HA GLU 63 - HB2 GLU 62 far 0 68 0 - 3.8-3.9 HA TYR 41 - HB3 GLU 44 far 0 99 0 - 4.1-4.7 HA ALA 89 - HB3 GLU 17 far 0 34 0 - 7.1-7.5 HB3 SER 9 - HB3 GLU 17 far 0 60 0 - 8.0-8.8 HB2 SER 85 - HB3 GLU 17 far 0 37 0 - 8.5-9.4 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): 1 out of 12 assignments used, quality = 0.88: HG2 GLU 44 + HB2 GLU 44 OK 88 100 100 88 2.2-2.4 3.0=59, 1995/3.0=25...(13) HB2 PRO 86 - HB3 GLU 17 poor 13 57 65 35 2.4-3.3 ~9894=9, 12333/3.0=7...(9) ! HG2 GLU 44 - HB3 GLU 44 far 10 100 10 - 2.7-3.0 HB3 PRO 86 - HB3 GLU 17 far 6 41 15 - 2.7-3.2 HB3 GLU 16 - HB3 GLU 17 far 0 40 0 - 5.3-6.0 HB2 LEU 64 - HB2 GLU 62 far 0 69 0 - 6.5-6.8 QE MET 21 - HB3 GLU 17 far 0 34 0 - 7.5-8.4 HB VAL 83 - HB3 GLU 17 far 0 51 0 - 8.4-8.9 HG2 GLU 88 - HB3 GLU 17 far 0 62 0 - 8.6-10.8 HB2 GLU 69 - HB2 GLU 62 far 0 82 0 - 8.7-9.5 HG2 GLU 69 - HB2 GLU 62 far 0 82 0 - 8.8-9.8 HB3 GLU 37 - HB2 GLU 44 far 0 99 0 - 9.7-10.2 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 2.4-2.9 3.0=100 HG3 GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 TYR 41 - HB2 GLU 44 far 0 59 0 - 4.5-5.2 HG2 GLU 48 - HB2 GLN 50 far 0 43 0 - 5.3-8.4 HB2 TYR 41 - HB3 GLU 44 far 0 59 0 - 5.9-6.7 HG3 GLU 43 - HB2 GLU 44 far 0 75 0 - 5.9-7.2 HG3 GLU 43 - HB3 GLU 44 far 0 75 0 - 6.0-7.1 HG2 GLU 16 - HB3 GLU 17 far 0 57 0 - 6.5-7.3 HG2 GLU 48 - HB2 GLU 44 far 0 92 0 - 6.9-10.3 HG2 GLU 48 - HB3 GLU 44 far 0 92 0 - 7.2-10.5 Violated in 0 structures by 0.00 A. Peak 2016 from cnoeabs.peaks (8.26, 2.00, 28.65 ppm; 3.58 A): 1 out of 4 assignments used, quality = 1.00: H PHE 45 + HB2 GLU 44 OK 100 100 100 100 2.5-3.0 6725=100, 6722/3.9=45...(9) ! H PHE 45 - HB3 GLU 44 far 0 100 0 - 3.9-4.2 H GLU 23 - HB3 GLU 17 far 0 56 0 - 9.7-10.2 H LYS 94 - HB3 GLU 17 far 0 63 0 - 9.8-10.6 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 2 assignments used, quality = 1.00: * H GLU 44 + HG2 GLU 44 OK 100 100 100 100 4.3-4.5 6713=97, 3.0/1995=78...(18) H GLU 48 - HG2 GLU 44 far 0 97 0 - 5.3-6.8 Violated in 2 structures by 0.00 A. Peak 2018 from cnoeabs.peaks (3.94, 2.13, 35.75 ppm; 3.94 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 44 + HG2 GLU 44 OK 100 100 100 100 3.3-3.8 1995=100, 1996/1.8=81...(16) HA TYR 41 - HG2 GLU 44 far 0 99 0 - 5.1-5.7 HA GLU 63 - HG2 GLU 69 far 0 77 0 - 8.0-8.9 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 10 assignments used, quality = 1.00: * HB2 GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.2-2.4 3.0=100 HB3 GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.7-3.0 3.0=100 QE MET 1 - HG2 GLU 104 far 0 77 0 - 5.9-12.8 HB2 LYS 47 - HG2 GLU 44 far 0 73 0 - 6.0-7.3 HB3 GLU 99 - HG2 GLU 104 far 0 55 0 - 6.6-17.5 HB2 ARG 46 - HG2 GLU 44 far 0 84 0 - 7.1-9.5 HB3 MET 1 - HG2 GLU 104 far 0 94 0 - 7.6-17.9 QE MET 74 - HG2 GLU 44 far 0 100 0 - 8.2-9.1 HB2 GLU 62 - HG2 GLU 69 far 0 86 0 - 8.8-9.8 QE MET 74 - HG2 GLU 69 far 0 93 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 2020 from cnoeabs.peaks (2.00, 2.13, 35.75 ppm; 3.06 A): 2 out of 10 assignments used, quality = 1.00: HB2 GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.2-2.4 3.0=100 * HB3 GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.7-3.0 3.0=100 QE MET 1 - HG2 GLU 104 far 0 77 0 - 5.9-12.8 HB2 LYS 47 - HG2 GLU 44 far 0 73 0 - 6.0-7.3 HB3 GLU 99 - HG2 GLU 104 far 0 55 0 - 6.6-17.5 HB2 ARG 46 - HG2 GLU 44 far 0 84 0 - 7.1-9.5 HB3 MET 1 - HG2 GLU 104 far 0 94 0 - 7.6-17.9 QE MET 74 - HG2 GLU 44 far 0 100 0 - 8.2-9.1 HB2 GLU 62 - HG2 GLU 69 far 0 86 0 - 8.8-9.8 QE MET 74 - HG2 GLU 69 far 0 93 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 2021 from cnoeabs.peaks (2.13, 2.13, 35.75 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLU 44 + HG2 GLU 44 OK 100 100 - 100 HG2 GLU 69 + HG2 GLU 69 OK 91 91 - 100 HG2 GLU 104 + HG2 GLU 104 OK 90 90 - 100 Peak 2022 from cnoeabs.peaks (2.35, 2.13, 35.75 ppm; 2.48 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLU 44 + HG2 GLU 44 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 69 + HG2 GLU 69 OK 88 88 100 100 1.8-1.8 1.8=100 HG2 GLU 48 - HG2 GLU 44 far 0 92 0 - 4.8-8.9 HB2 TYR 41 - HG2 GLU 44 far 0 59 0 - 6.0-6.5 HG3 GLU 43 - HG2 GLU 44 far 0 75 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 2023 from cnoeabs.peaks (8.26, 2.13, 35.75 ppm; 4.68 A): 1 out of 3 assignments used, quality = 1.00: * H PHE 45 + HG2 GLU 44 OK 100 100 100 100 3.3-4.3 6726=100, 6724/3.0=89...(9) H LEU 103 - HG2 GLU 104 poor 18 73 25 - 3.8-6.6 H ALA 71 - HG2 GLU 69 far 0 93 0 - 6.5-7.2 Violated in 0 structures by 0.00 A. Peak 2024 from cnoeabs.peaks (7.60, 2.35, 35.75 ppm; 4.22 A increased from 3.97 A): 2 out of 6 assignments used, quality = 0.87: H GLU 48 + HG2 GLU 48 OK 77 77 100 100 2.7-4.2 6792/3.0=75, 4.9=63...(12) * H GLU 44 + HG3 GLU 44 OK 45 100 45 100 4.4-4.5 3.0/1996=71, 2017/1.8=70...(18) HE22 GLN 50 - HG2 GLU 48 far 3 68 5 - 4.0-11.1 H GLU 48 - HG3 GLU 44 far 0 97 0 - 5.3-6.8 H GLU 44 - HG2 GLU 48 far 0 83 0 - 7.8-11.1 HE22 GLN 50 - HG3 GLU 44 far 0 90 0 - 9.9-16.7 Violated in 0 structures by 0.00 A. Peak 2025 from cnoeabs.peaks (3.94, 2.35, 35.75 ppm; 3.84 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.6-2.7 1996=100, 1995/1.8=79...(19) HA GLU 44 - HG2 GLU 48 far 0 83 0 - 5.8-8.9 HA TYR 41 - HG3 GLU 44 far 0 99 0 - 6.1-6.5 HB3 SER 9 - HG2 GLU 16 far 0 70 0 - 8.3-10.4 HA GLU 63 - HG3 GLU 69 far 0 72 0 - 9.1-10.5 HA TYR 41 - HG2 GLU 48 far 0 80 0 - 10.0-13.6 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 14 assignments used, quality = 1.00: HB3 GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.4-2.9 3.0=100 * HB2 GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 LYS 47 - HG2 GLU 48 far 0 54 0 - 3.8-5.3 HB2 GLN 50 - HG2 GLU 48 far 0 67 0 - 5.3-8.4 HB2 LYS 47 - HG3 GLU 44 far 0 73 0 - 5.3-6.1 HB3 GLU 17 - HG2 GLU 16 far 0 72 0 - 6.5-7.3 HB2 GLU 44 - HG2 GLU 48 far 0 83 0 - 6.9-10.3 HB3 GLU 44 - HG2 GLU 48 far 0 83 0 - 7.2-10.5 HB2 ARG 46 - HG3 GLU 44 far 0 84 0 - 7.3-8.5 HB2 ARG 46 - HG2 GLU 48 far 0 63 0 - 7.7-9.9 QE MET 74 - HG3 GLU 44 far 0 100 0 - 8.6-9.3 QE MET 1 - HG2 GLU 48 far 0 66 0 - 8.7-9.8 QE MET 74 - HG3 GLU 69 far 0 87 0 - 9.4-10.5 HB3 MET 74 - HG3 GLU 69 far 0 48 0 - 9.7-11.0 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 14 assignments used, quality = 1.00: * HB3 GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.4-2.9 3.0=100 HB2 GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 LYS 47 - HG2 GLU 48 far 0 54 0 - 3.8-5.3 HB2 GLN 50 - HG2 GLU 48 far 0 67 0 - 5.3-8.4 HB2 LYS 47 - HG3 GLU 44 far 0 73 0 - 5.3-6.1 HB3 GLU 17 - HG2 GLU 16 far 0 72 0 - 6.5-7.3 HB2 GLU 44 - HG2 GLU 48 far 0 83 0 - 6.9-10.3 HB3 GLU 44 - HG2 GLU 48 far 0 83 0 - 7.2-10.5 HB2 ARG 46 - HG3 GLU 44 far 0 84 0 - 7.3-8.5 HB2 ARG 46 - HG2 GLU 48 far 0 63 0 - 7.7-9.9 QE MET 74 - HG3 GLU 44 far 0 100 0 - 8.6-9.3 QE MET 1 - HG2 GLU 48 far 0 66 0 - 8.7-9.8 QE MET 74 - HG3 GLU 69 far 0 87 0 - 9.4-10.5 HB3 MET 74 - HG3 GLU 69 far 0 48 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 2028 from cnoeabs.peaks (2.13, 2.35, 35.75 ppm; 2.40 A): 3 out of 10 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 39 86 55 82 2.5-2.9 3.0=52, 3.0/3092=23...(11) HB2 GLU 69 - HG3 GLU 69 far 0 86 0 - 2.7-3.0 HB3 GLU 16 - HG2 GLU 16 far 0 48 0 - 2.7-3.0 HG2 GLU 44 - HG2 GLU 48 far 0 83 0 - 4.8-8.9 HB2 GLN 72 - HG3 GLU 69 far 0 63 0 - 5.1-6.0 HB2 PRO 86 - HG2 GLU 16 far 0 67 0 - 8.1-9.2 HB2 LEU 64 - HG3 GLU 69 far 0 73 0 - 8.4-9.8 HB3 PRO 86 - HG2 GLU 16 far 0 49 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 2029 from cnoeabs.peaks (2.35, 2.35, 35.75 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 GLU 44 + HG3 GLU 44 OK 100 100 - 100 HG3 GLU 69 + HG3 GLU 69 OK 82 82 - 100 HG2 GLU 48 + HG2 GLU 48 OK 71 71 - 100 HG2 GLU 16 + HG2 GLU 16 OK 67 67 - 100 Peak 2030 from cnoeabs.peaks (8.26, 2.35, 35.75 ppm; 5.22 A): 1 out of 3 assignments used, quality = 1.00: * H PHE 45 + HG3 GLU 44 OK 100 100 100 100 3.8-4.7 6725/3.0=96, 6726/1.8=95...(9) H PHE 45 - HG2 GLU 48 far 0 83 0 - 6.2-9.5 H ALA 71 - HG3 GLU 69 far 0 87 0 - 6.3-7.0 Violated in 0 structures by 0.00 A. Peak 2031 from cnoeabs.peaks (8.26, 4.52, 55.95 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 45 + HA PHE 45 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 2032 from cnoeabs.peaks (4.52, 4.52, 55.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 45 + HA PHE 45 OK 100 100 - 100 Peak 2033 from cnoeabs.peaks (2.98, 4.52, 55.95 ppm; 3.32 A): 2 out of 4 assignments used, quality = 1.00: * HB2 PHE 45 + HA PHE 45 OK 100 100 100 100 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 0 99 0 - 4.9-8.7 HE3 LYS 47 - HA PHE 45 far 0 99 0 - 5.5-8.4 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 0 100 0 - 4.9-8.7 HE3 LYS 47 - HA PHE 45 far 0 100 0 - 5.5-8.4 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 1.9-2.1 3.7=75, 6731/3.0=44...(13) 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...(10) Violated in 0 structures by 0.00 A. Peak 2038 from cnoeabs.peaks (8.02, 4.52, 55.95 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 46 + HA PHE 45 OK 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 2039 from cnoeabs.peaks (3.70, 2.98, 36.68 ppm; 5.34 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 42 + HB2 PHE 45 OK 100 100 100 100 2.2-2.8 8928/2.5=95...(14) HA LEU 42 + HB3 PHE 45 OK 90 90 100 100 3.8-4.4 8928/2.5=95, 6719/3.7=79...(13) 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 3 assignments used, quality = 1.00: * H PHE 45 + HB2 PHE 45 OK 100 100 100 100 2.4-2.6 3.7=100 H PHE 45 + HB3 PHE 45 OK 90 90 100 100 3.6-3.6 3.7=100 H ALA 71 - HB2 PHE 45 far 0 100 0 - 9.3-10.0 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 2.3-2.5 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 2.5-3.2 4.5=100 H ARG 46 + HB3 PHE 45 OK 90 90 100 100 3.7-4.2 4.5=100 Violated in 0 structures by 0.00 A. Peak 2048 from cnoeabs.peaks (3.70, 2.97, 36.68 ppm; 5.27 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 42 + HB3 PHE 45 OK 100 100 100 100 3.8-4.4 8928/2.5=94, 6719/3.7=78...(13) HA LEU 42 + HB2 PHE 45 OK 90 90 100 100 2.2-2.8 8928/2.5=94...(14) 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 3 assignments used, quality = 1.00: * H PHE 45 + HB3 PHE 45 OK 100 100 100 100 3.6-3.6 3.7=100 H PHE 45 + HB2 PHE 45 OK 90 90 100 100 2.4-2.6 3.7=100 H ALA 71 - HB2 PHE 45 far 0 90 0 - 9.3-10.0 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 2.3-2.5 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 3.7-4.2 4.5=100 H ARG 46 + HB2 PHE 45 OK 90 90 100 100 2.5-3.2 4.5=100 Violated in 0 structures by 0.00 A. Peak 2057 from cnoeabs.peaks (8.02, 4.07, 58.19 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 46 + HA ARG 46 OK 100 100 100 100 2.8-2.9 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 15 assignments used, quality = 1.00: * HB2 ARG 46 + HA ARG 46 OK 98 100 100 98 2.4-3.0 3.0=85, 2067/3.0=20...(15) HB3 ARG 46 + HA ARG 46 OK 94 96 100 98 2.7-3.0 3.0=85, 6749/3.0=26...(15) HB3 LYS 24 + HA LYS 24 OK 60 60 100 99 2.4-2.9 3.0=84, 2.9/1096=27...(25) HB2 LYS 24 + HA LYS 24 OK 59 60 100 99 2.7-3.0 3.0=84, 1073/3.0=41...(21) QE MET 74 - HA ARG 46 far 0 82 0 - 5.8-6.3 HB3 MET 74 - HA ARG 46 far 0 98 0 - 5.9-7.4 HB2 LYS 47 - HA ARG 46 far 0 100 0 - 6.5-6.6 HB2 GLU 35 - HA LYS 66 far 0 55 0 - 7.4-8.6 HB2 GLU 44 - HA ARG 46 far 0 84 0 - 7.5-7.9 HB2 LYS 73 - HA LYS 66 far 0 78 0 - 7.7-8.5 HB3 GLU 44 - HA ARG 46 far 0 84 0 - 8.2-8.7 QE MET 74 - HA LYS 66 far 0 65 0 - 8.3-9.5 HB3 LYS 73 - HA LYS 66 far 0 77 0 - 9.2-9.7 QE MET 1 - HA ARG 46 far 0 100 0 - 9.6-10.6 HB3 MET 74 - HA LYS 66 far 0 82 0 - 10.0-11.5 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 97 100 100 97 2.7-3.0 3.0=82, 6750/3.0=26...(15) HB2 ARG 46 + HA ARG 46 OK 93 96 100 97 2.4-3.0 3.0=82, 3.0/2096=19...(14) HB3 LYS 24 + HA LYS 24 OK 63 64 100 99 2.4-2.9 3.0=81, 2.9/1096=26...(25) HB2 LYS 24 + HA LYS 24 OK 63 64 100 98 2.7-3.0 3.0=81, 1073/3.0=41...(21) HB3 LYS 47 - HA ARG 46 far 0 68 0 - 5.6-5.9 HB3 MET 74 - HA ARG 46 far 0 100 0 - 5.9-7.4 HB2 LYS 47 - HA ARG 46 far 0 99 0 - 6.5-6.6 HB3 LYS 20 - HA LYS 24 far 0 48 0 - 6.9-8.6 HB2 LYS 73 - HA LYS 66 far 0 87 0 - 7.7-8.5 HB2 LYS 94 - HA LYS 24 far 0 34 0 - 8.1-10.7 HB3 LYS 73 - HA LYS 66 far 0 86 0 - 9.2-9.7 QE MET 1 - HA ARG 46 far 0 95 0 - 9.6-10.6 HB3 MET 74 - HA LYS 66 far 0 86 0 - 10.0-11.5 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 9 assignments used, quality = 0.98: * HG2 ARG 46 + HA ARG 46 OK 89 100 90 99 2.1-3.6 4.1=52, 1.8/2096=34...(21) HG3 ARG 46 + HA ARG 46 OK 60 61 100 97 2.2-3.2 4.1=52, 3.0/2105=31...(20) HB3 LYS 66 + HA LYS 66 OK 50 50 100 100 3.0-3.0 3.0=100 HB2 LEU 42 - HA ARG 46 far 0 94 0 - 7.0-7.4 HB2 LYS 68 - HA LYS 66 far 0 82 0 - 7.1-7.3 HB3 LYS 39 - HA LYS 66 far 0 49 0 - 8.2-11.1 HB2 LYS 39 - HA LYS 66 far 0 65 0 - 8.4-10.7 HB ILE 93 - HA LYS 24 far 0 52 0 - 9.0-9.6 HB2 LYS 53 - HA ARG 46 far 0 96 0 - 9.9-11.0 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 9 assignments used, quality = 1.00: * HG3 ARG 46 + HA ARG 46 OK 98 100 100 98 2.2-3.2 4.1=50, 3.0/2105=30...(23) HB2 LYS 66 + HA LYS 66 OK 73 73 100 100 2.4-2.6 3.0=100 HG2 ARG 46 + HA ARG 46 OK 51 61 85 98 2.1-3.6 4.1=50, 1.8/2096=33...(21) HB2 LEU 42 - HA ARG 46 far 0 92 0 - 7.0-7.4 HB3 GLU 63 - HA LYS 66 far 0 84 0 - 8.3-8.6 HB2 LYS 39 - HA LYS 66 far 0 83 0 - 8.4-10.7 HB ILE 93 - HA LYS 24 far 0 57 0 - 9.0-9.6 HB VAL 78 - HA ARG 46 far 0 100 0 - 9.1-10.3 HB ILE 56 - HA LYS 66 far 0 69 0 - 9.3-9.7 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 3.7-4.6 2105=100, 1.8/2114=76...(20) Violated in 0 structures by 0.00 A. Peak 2064 from cnoeabs.peaks (3.19, 4.07, 58.19 ppm; 5.08 A): 1 out of 3 assignments used, quality = 1.00: * HD3 ARG 46 + HA ARG 46 OK 100 100 100 100 4.1-4.7 2114=100, 1.8/2105=90...(18) HB2 ASP 77 - HA ARG 46 far 0 96 0 - 8.0-9.3 HB2 HIS 106 - HA LYS 24 far 0 62 0 - 9.2-34.1 Violated in 0 structures by 0.00 A. Peak 2065 from cnoeabs.peaks (7.47, 4.07, 58.19 ppm; 4.07 A): 1 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 poor 20 100 20 - 3.4-5.6 HD22 ASN 26 - HA LYS 24 far 3 64 5 - 3.9-7.1 H ILE 52 - HA ARG 46 far 0 90 0 - 6.5-7.1 HE22 GLN 72 - HA LYS 66 far 0 59 0 - 6.7-8.8 Violated in 0 structures by 0.00 A. Peak 2066 from cnoeabs.peaks (3.88, 1.97, 29.74 ppm; 3.90 A): 2 out of 8 assignments used, quality = 0.97: HA GLU 43 + HB3 ARG 46 OK 88 92 100 96 2.6-4.1 1960=55, 10171/3.6=43...(9) * HA GLU 43 + HB2 ARG 46 OK 77 100 80 96 2.6-4.3 1960/1.8=52...(9) HB3 SER 49 - HB2 ARG 46 far 4 84 5 - 4.2-5.9 HB3 SER 49 - HB3 ARG 46 far 0 72 0 - 4.6-6.1 HA ALA 71 - HB2 ARG 46 far 0 63 0 - 6.2-9.2 HA ALA 71 - HB3 ARG 46 far 0 53 0 - 7.8-8.8 HA LYS 40 - HB3 ARG 46 far 0 82 0 - 8.0-9.7 HA LYS 40 - HB2 ARG 46 far 0 94 0 - 8.1-9.9 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=50...(23) H ARG 46 + HB3 ARG 46 OK 91 92 100 99 2.1-3.4 6749=58, 6749/1.8=34...(22) 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 2.4-3.0 3.0=100 HA ARG 46 + HB3 ARG 46 OK 92 92 100 100 2.7-3.0 3.0=100 HB2 SER 49 - HB2 ARG 46 far 0 96 0 - 4.7-6.6 HB2 SER 49 - HB3 ARG 46 far 0 84 0 - 5.4-6.9 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; 3.14 A increased from 2.96 A): 4 out of 9 assignments used, quality = 1.00: * HG2 ARG 46 + HB2 ARG 46 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 46 + HB3 ARG 46 OK 92 92 100 100 2.3-3.0 3.0=100 HG3 ARG 46 + HB2 ARG 46 OK 61 61 100 100 2.3-3.0 3.0=100 HG3 ARG 46 + HB3 ARG 46 OK 51 51 100 100 2.3-3.0 3.0=100 HB2 LEU 42 - HB2 ARG 46 far 0 94 0 - 5.1-7.5 HB2 LEU 42 - HB3 ARG 46 far 0 82 0 - 5.7-7.2 HB3 LYS 39 - HB2 ARG 46 far 0 63 0 - 9.3-11.5 HB2 LYS 39 - HB2 ARG 46 far 0 82 0 - 9.7-11.9 HB3 LYS 39 - HB3 ARG 46 far 0 53 0 - 9.8-11.1 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 2.3-3.0 3.0=100 HG3 ARG 46 + HB3 ARG 46 OK 92 92 100 100 2.3-3.0 3.0=100 HG2 ARG 46 + HB2 ARG 46 OK 61 61 100 100 2.3-3.0 3.0=100 HG2 ARG 46 + HB3 ARG 46 OK 51 51 100 100 2.3-3.0 3.0=100 HB2 LEU 42 - HB2 ARG 46 far 0 92 0 - 5.1-7.5 HB2 LEU 42 - HB3 ARG 46 far 0 80 0 - 5.7-7.2 HB VAL 78 - HB2 ARG 46 far 0 100 0 - 9.4-12.4 HB2 LYS 39 - HB2 ARG 46 far 0 99 0 - 9.7-11.9 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 2.2-3.8 3.6=100 HD2 ARG 46 + HB3 ARG 46 OK 92 92 100 100 3.0-3.9 3.6=100 Violated in 0 structures by 0.00 A. Peak 2074 from cnoeabs.peaks (3.19, 1.97, 29.74 ppm; 3.94 A): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 46 + HB2 ARG 46 OK 100 100 100 100 2.1-3.6 3.6=100 HD3 ARG 46 + HB3 ARG 46 OK 92 92 100 100 2.2-3.8 3.6=100 HB2 ASP 77 - HB2 ARG 46 far 0 96 0 - 9.7-11.8 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: * H LYS 47 + HB2 ARG 46 OK 95 100 100 95 3.4-4.2 4.7=60, 6755/4.0=53...(9) H LYS 47 + HB3 ARG 46 OK 86 92 100 93 2.8-3.9 4.7=60, 6755/4.0=53...(9) HE ARG 46 + HB3 ARG 46 OK 40 92 45 96 2.2-5.0 4.5=64, 2.9/2116=33...(11) HE ARG 46 + HB2 ARG 46 OK 34 100 35 96 2.0-4.7 4.5=64, 2.9/2116=34...(11) H ILE 52 - HB2 ARG 46 far 0 90 0 - 9.0-9.8 H ILE 52 - HB3 ARG 46 far 0 78 0 - 9.4-9.9 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 = 0.99: * HA GLU 43 + HB3 ARG 46 OK 96 100 100 96 2.6-4.1 1960=58, 10171/3.6=43...(9) HA GLU 43 + HB2 ARG 46 OK 70 92 80 96 2.6-4.3 1960/1.8=52...(9) HB3 SER 49 - HB2 ARG 46 far 4 72 5 - 4.2-5.9 HB3 SER 49 - HB3 ARG 46 far 0 84 0 - 4.6-6.1 HA ALA 71 - HB2 ARG 46 far 0 53 0 - 6.2-9.2 HA ALA 71 - HB3 ARG 46 far 0 63 0 - 7.8-8.8 HA LYS 40 - HB3 ARG 46 far 0 94 0 - 8.0-9.7 HA LYS 40 - HB2 ARG 46 far 0 82 0 - 8.1-9.9 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 98 100 100 98 2.1-3.4 6750=60, 6749/1.8=33...(22) H ARG 46 + HB2 ARG 46 OK 90 92 100 98 2.1-3.6 4.0=54, 6750/1.8=49...(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 2.7-3.0 3.0=100 HA ARG 46 + HB2 ARG 46 OK 92 92 100 100 2.4-3.0 3.0=100 HB2 SER 49 - HB2 ARG 46 far 0 84 0 - 4.7-6.6 HB2 SER 49 - HB3 ARG 46 far 0 96 0 - 5.4-6.9 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; 3.02 A increased from 2.84 A): 4 out of 9 assignments used, quality = 1.00: * HG2 ARG 46 + HB3 ARG 46 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 46 + HB2 ARG 46 OK 92 92 100 100 2.3-3.0 3.0=100 HG3 ARG 46 + HB3 ARG 46 OK 61 61 100 100 2.3-3.0 3.0=100 HG3 ARG 46 + HB2 ARG 46 OK 51 51 100 100 2.3-3.0 3.0=100 HB2 LEU 42 - HB2 ARG 46 far 0 82 0 - 5.1-7.5 HB2 LEU 42 - HB3 ARG 46 far 0 94 0 - 5.7-7.2 HB3 LYS 39 - HB2 ARG 46 far 0 53 0 - 9.3-11.5 HB2 LYS 39 - HB2 ARG 46 far 0 70 0 - 9.7-11.9 HB3 LYS 39 - HB3 ARG 46 far 0 63 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 2082 from cnoeabs.peaks (1.79, 1.96, 29.74 ppm; 3.09 A increased from 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=100 HG3 ARG 46 + HB2 ARG 46 OK 92 92 100 100 2.3-3.0 3.0=100 HG2 ARG 46 + HB3 ARG 46 OK 61 61 100 100 2.3-3.0 3.0=100 HG2 ARG 46 + HB2 ARG 46 OK 51 51 100 100 2.3-3.0 3.0=100 HB2 LEU 42 - HB2 ARG 46 far 0 80 0 - 5.1-7.5 HB2 LEU 42 - HB3 ARG 46 far 0 92 0 - 5.7-7.2 HB VAL 78 - HB2 ARG 46 far 0 91 0 - 9.4-12.4 HB2 LYS 39 - HB2 ARG 46 far 0 88 0 - 9.7-11.9 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 3.0-3.9 3.6=100 HD2 ARG 46 + HB2 ARG 46 OK 92 92 100 100 2.2-3.8 3.6=100 Violated in 0 structures by 0.00 A. Peak 2084 from cnoeabs.peaks (3.19, 1.96, 29.74 ppm; 3.75 A): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 46 + HB3 ARG 46 OK 100 100 100 100 2.2-3.8 3.6=100 HD3 ARG 46 + HB2 ARG 46 OK 92 92 100 100 2.1-3.6 3.6=100 HB2 ASP 77 - HB2 ARG 46 far 0 85 0 - 9.7-11.8 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 = 0.99: * H LYS 47 + HB3 ARG 46 OK 92 100 100 92 2.8-3.9 4.7=56, 6755/4.0=50...(9) H LYS 47 + HB2 ARG 46 OK 69 92 80 94 3.4-4.2 4.7=56, 6755/4.0=50...(10) HE ARG 46 + HB3 ARG 46 OK 38 100 40 95 2.2-5.0 4.5=60, 2.9/2116=34...(11) HE ARG 46 + HB2 ARG 46 OK 30 92 35 95 2.0-4.7 4.5=60, 2.9/2116=34...(11) H ILE 52 - HB2 ARG 46 far 0 78 0 - 9.0-9.8 H ILE 52 - HB3 ARG 46 far 0 90 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 2086 from cnoeabs.peaks (8.02, 1.82, 26.76 ppm; 4.62 A increased from 4.35 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 46 + HG2 ARG 46 OK 100 100 100 100 3.4-4.6 4.9=83, 6750/3.0=56...(23) Violated in 1 structures by 0.00 A. Peak 2087 from cnoeabs.peaks (4.07, 1.82, 26.76 ppm; 4.13 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 46 + HG2 ARG 46 OK 100 100 100 100 2.1-3.6 4.1=100 HB2 SER 49 - HG2 ARG 46 poor 19 96 25 79 3.7-6.0 1.8/10172=37, ~10173=32...(6) Violated in 0 structures by 0.00 A. Peak 2088 from cnoeabs.peaks (1.97, 1.82, 26.76 ppm; 3.13 A): 2 out of 8 assignments used, quality = 1.00: * HB2 ARG 46 + HG2 ARG 46 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 46 + HG2 ARG 46 OK 96 96 100 100 2.3-3.0 3.0=100 QE MET 74 - HG2 ARG 46 far 0 82 0 - 4.1-6.3 HB3 MET 74 - HG2 ARG 46 far 0 98 0 - 4.6-6.9 HB2 LYS 47 - HG2 ARG 46 far 0 100 0 - 5.9-8.3 HB2 GLU 44 - HG2 ARG 46 far 0 84 0 - 8.2-9.5 HB3 GLU 44 - HG2 ARG 46 far 0 84 0 - 8.7-9.9 HB2 LYS 73 - HG2 ARG 46 far 0 95 0 - 9.3-12.4 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 6 assignments used, quality = 1.00: * HB3 ARG 46 + HG2 ARG 46 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 46 + HG2 ARG 46 OK 96 96 100 100 2.3-3.0 3.0=100 HB3 MET 74 - HG2 ARG 46 far 0 100 0 - 4.6-6.9 HB2 LYS 47 - HG2 ARG 46 far 0 99 0 - 5.9-8.3 HB3 LYS 47 - HG2 ARG 46 far 0 68 0 - 5.9-7.8 HB2 LYS 73 - HG2 ARG 46 far 0 100 0 - 9.3-12.4 Violated in 0 structures by 0.00 A. Peak 2090 from cnoeabs.peaks (1.82, 1.82, 26.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 46 + HG2 ARG 46 OK 100 100 - 100 Peak 2091 from cnoeabs.peaks (1.79, 1.82, 26.76 ppm; diagonal): 1 out of 1 assignment used, quality = 0.61: HG2 ARG 46 + HG2 ARG 46 OK 61 61 - 100 Reference assignment not found: HG3 ARG 46 - HG2 ARG 46 Peak 2092 from cnoeabs.peaks (3.31, 1.82, 26.76 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 46 + HG2 ARG 46 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2093 from cnoeabs.peaks (3.19, 1.82, 26.76 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 46 + HG2 ARG 46 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ASP 77 - HG2 ARG 46 far 0 96 0 - 8.1-11.6 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 2.2-3.6 3.6=100 * H LYS 47 + HG2 ARG 46 OK 88 100 90 98 3.8-5.4 6755/2086=67, 6765=49...(8) H ILE 52 - HG2 ARG 46 far 0 90 0 - 7.9-9.8 Violated in 0 structures by 0.00 A. Peak 2095 from cnoeabs.peaks (8.02, 1.79, 26.76 ppm; 4.68 A increased from 4.16 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 46 + HG3 ARG 46 OK 100 100 100 100 2.7-4.5 4.9=86, 6750/3.0=56...(23) Violated in 0 structures by 0.00 A. Peak 2096 from cnoeabs.peaks (4.07, 1.79, 26.76 ppm; 4.02 A): 2 out of 2 assignments used, quality = 1.00: * HA ARG 46 + HG3 ARG 46 OK 100 100 100 100 2.2-3.2 4.1=97, 2105/3.0=49...(26) HB2 SER 49 + HG3 ARG 46 OK 44 96 55 84 3.7-6.8 1.8/10173=42, ~10172=26...(8) Violated in 0 structures by 0.00 A. Peak 2097 from cnoeabs.peaks (1.97, 1.79, 26.76 ppm; 3.09 A): 2 out of 9 assignments used, quality = 1.00: * HB2 ARG 46 + HG3 ARG 46 OK 100 100 100 100 2.3-3.0 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 far 8 82 10 - 3.1-6.2 HB3 MET 74 - HG3 ARG 46 far 0 98 0 - 3.9-6.3 HB2 LYS 47 - HG3 ARG 46 far 0 100 0 - 6.7-8.5 HB2 GLU 44 - HG3 ARG 46 far 0 84 0 - 7.0-9.5 HB3 GLU 44 - HG3 ARG 46 far 0 84 0 - 7.6-10.0 HB2 LYS 73 - HG3 ARG 46 far 0 95 0 - 8.6-11.6 HB3 LYS 73 - HG3 ARG 46 far 0 94 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 2098 from cnoeabs.peaks (1.96, 1.79, 26.76 ppm; 3.10 A increased from 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=100 HB2 ARG 46 + HG3 ARG 46 OK 96 96 100 100 2.3-3.0 3.0=100 HB3 MET 74 - HG3 ARG 46 far 0 100 0 - 3.9-6.3 HB3 LYS 47 - HG3 ARG 46 far 0 68 0 - 6.5-7.8 HB2 LYS 47 - HG3 ARG 46 far 0 99 0 - 6.7-8.5 HB2 LYS 73 - HG3 ARG 46 far 0 100 0 - 8.6-11.6 HB3 LYS 73 - HG3 ARG 46 far 0 100 0 - 9.5-11.4 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 2.4-3.0 3.0=100 HB2 ASP 77 - HG3 ARG 46 far 0 96 0 - 8.7-10.4 Violated in 0 structures by 0.00 A. Peak 2103 from cnoeabs.peaks (7.47, 1.79, 26.76 ppm; 4.57 A): 1 out of 3 assignments used, quality = 1.00: HE ARG 46 + HG3 ARG 46 OK 100 100 100 100 2.5-3.8 3.6=100 ! H LYS 47 - HG3 ARG 46 poor 19 100 20 97 4.3-5.3 6755/2095=58...(8) H ILE 52 - HG3 ARG 46 far 0 90 0 - 8.2-9.9 Violated in 0 structures by 0.00 A. Peak 2104 from cnoeabs.peaks (8.02, 3.31, 43.64 ppm; 5.36 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 46 + HD2 ARG 46 OK 100 100 100 100 4.7-5.4 6753=100, 3.0/2105=82...(18) Violated in 1 structures by 0.00 A. Peak 2105 from cnoeabs.peaks (4.07, 3.31, 43.64 ppm; 4.61 A increased from 4.34 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 46 + HD2 ARG 46 OK 100 100 100 100 3.7-4.6 2063=98, 2114/1.8=75...(20) HB2 SER 49 - HD2 ARG 46 far 0 96 0 - 5.7-6.9 Violated in 1 structures by 0.00 A. Peak 2106 from cnoeabs.peaks (1.97, 3.31, 43.64 ppm; 3.70 A increased from 3.48 A): 4 out of 9 assignments used, quality = 1.00: * HB2 ARG 46 + HD2 ARG 46 OK 100 100 100 100 2.2-3.8 3.6=100 HB3 ARG 46 + HD2 ARG 46 OK 96 96 100 100 3.0-3.9 3.6=100 HB3 MET 74 + HD2 ARG 46 OK 70 98 85 84 3.1-4.8 3.0/12326=34...(9) QE MET 74 + HD2 ARG 46 OK 32 82 45 85 3.3-4.4 9608=42, 9607/1.8=35...(7) HB2 LYS 73 - HD2 ARG 46 far 0 95 0 - 7.2-10.1 HB3 LYS 73 - HD2 ARG 46 far 0 94 0 - 7.8-9.5 HB2 LYS 47 - HD2 ARG 46 far 0 100 0 - 8.6-9.9 HB2 GLU 44 - HD2 ARG 46 far 0 84 0 - 9.1-10.1 HB3 GLU 44 - HD2 ARG 46 far 0 84 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 2107 from cnoeabs.peaks (1.96, 3.31, 43.64 ppm; 3.70 A increased from 3.48 A): 3 out of 7 assignments used, quality = 1.00: * HB3 ARG 46 + HD2 ARG 46 OK 100 100 100 100 3.0-3.9 3.6=100 HB2 ARG 46 + HD2 ARG 46 OK 96 96 100 100 2.2-3.8 3.6=100 HB3 MET 74 + HD2 ARG 46 OK 73 100 85 85 3.1-4.8 3.0/12326=34...(10) HB2 LYS 73 - HD2 ARG 46 far 0 100 0 - 7.2-10.1 HB3 LYS 73 - HD2 ARG 46 far 0 100 0 - 7.8-9.5 HB3 LYS 47 - HD2 ARG 46 far 0 68 0 - 8.4-9.5 HB2 LYS 47 - HD2 ARG 46 far 0 99 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 2108 from cnoeabs.peaks (1.82, 3.31, 43.64 ppm; 3.35 A): 2 out of 5 assignments used, quality = 1.00: * HG2 ARG 46 + HD2 ARG 46 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 46 + HD2 ARG 46 OK 61 61 100 100 2.2-3.0 3.0=100 HB2 LEU 42 - HD2 ARG 46 far 0 94 0 - 5.7-6.8 HB3 LYS 39 - HD2 ARG 46 far 0 63 0 - 8.8-10.4 HB2 LYS 39 - HD2 ARG 46 far 0 82 0 - 9.4-10.7 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 2.4-3.0 3.0=100 HB2 LEU 42 - HD2 ARG 46 far 0 92 0 - 5.7-6.8 HB2 LYS 39 - HD2 ARG 46 far 0 99 0 - 9.4-10.7 HB VAL 78 - HD2 ARG 46 far 0 100 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 2110 from cnoeabs.peaks (3.31, 3.31, 43.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 46 + HD2 ARG 46 OK 100 100 - 100 Peak 2111 from cnoeabs.peaks (3.19, 3.31, 43.64 ppm; 2.46 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 46 + HD2 ARG 46 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASP 77 - HD2 ARG 46 far 0 96 0 - 9.6-11.3 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 0 100 0 - 5.8-6.9 H ILE 52 - HD2 ARG 46 far 0 90 0 - 9.7-11.0 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 3.9-5.1 6753/1.8=89, 2086/3.0=87...(17) Violated in 0 structures by 0.00 A. Peak 2114 from cnoeabs.peaks (4.07, 3.19, 43.64 ppm; 4.77 A increased from 4.49 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 46 + HD3 ARG 46 OK 100 100 100 100 4.1-4.7 2105/1.8=83, 2064=82...(18) HB2 SER 49 - HD3 ARG 46 far 0 96 0 - 6.4-7.5 Violated in 0 structures by 0.00 A. Peak 2115 from cnoeabs.peaks (1.97, 3.19, 43.64 ppm; 3.43 A): 2 out of 9 assignments used, quality = 1.00: * HB2 ARG 46 + HD3 ARG 46 OK 98 100 100 98 2.1-3.6 3.6=83, 3.0/2114=33...(15) HB3 ARG 46 + HD3 ARG 46 OK 90 96 95 98 2.2-3.8 3.6=83, 3.0/2114=33...(15) QE MET 74 - HD3 ARG 46 poor 19 82 30 78 2.5-4.8 9608/1.8=33...(8) HB3 MET 74 - HD3 ARG 46 far 5 98 5 - 3.5-5.3 HB2 LYS 47 - HD3 ARG 46 far 0 100 0 - 7.5-9.8 HB2 GLU 44 - HD3 ARG 46 far 0 84 0 - 7.9-9.6 HB2 LYS 73 - HD3 ARG 46 far 0 95 0 - 8.2-10.6 HB3 GLU 44 - HD3 ARG 46 far 0 84 0 - 8.5-9.8 HB3 LYS 73 - HD3 ARG 46 far 0 94 0 - 8.7-10.1 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 = 0.99: HB2 ARG 46 + HD3 ARG 46 OK 93 96 100 97 2.1-3.6 3.6=78, 3.0/2114=31...(15) * HB3 ARG 46 + HD3 ARG 46 OK 92 100 95 97 2.2-3.8 3.6=78, 3.0/2114=31...(16) HB3 MET 74 - HD3 ARG 46 far 5 100 5 - 3.5-5.3 HB2 LYS 47 - HD3 ARG 46 far 0 99 0 - 7.5-9.8 HB3 LYS 47 - HD3 ARG 46 far 0 68 0 - 7.6-9.4 HB2 LYS 73 - HD3 ARG 46 far 0 100 0 - 8.2-10.6 HB3 LYS 73 - HD3 ARG 46 far 0 100 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 2117 from cnoeabs.peaks (1.82, 3.19, 43.64 ppm; 3.37 A): 2 out of 5 assignments used, quality = 1.00: * HG2 ARG 46 + HD3 ARG 46 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 46 + HD3 ARG 46 OK 61 61 100 100 2.4-3.0 3.0=100 HB2 LEU 42 - HD3 ARG 46 far 0 94 0 - 4.5-7.0 HB3 LYS 39 - HD3 ARG 46 far 0 63 0 - 7.9-10.2 HB2 LYS 39 - HD3 ARG 46 far 0 82 0 - 8.4-10.5 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 2.4-3.0 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 - 4.5-7.0 HB2 LYS 39 - HD3 ARG 46 far 0 99 0 - 8.4-10.5 HB VAL 78 - HD3 ARG 46 far 0 100 0 - 9.9-12.6 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 2.7-2.9 2.9=100 ! H LYS 47 - HD3 ARG 46 far 0 100 0 - 5.3-6.8 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 2.7-2.9 2.9=100 HE ARG 46 - HA LYS 47 far 0 100 0 - 5.3-8.1 HE22 GLN 72 - HA LYS 73 far 0 36 0 - 6.3-8.4 HE ARG 46 - HA LYS 73 far 0 57 0 - 7.3-11.1 H ILE 52 - HA LYS 47 far 0 90 0 - 8.5-9.4 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 2.4-2.5 3.0=85, 2134/2.9=33...(30) HB2 LYS 73 + HA LYS 73 OK 53 54 100 98 2.5-3.0 3.0=89, 7205/3.0=45...(21) HB3 LYS 73 + HA LYS 73 OK 53 54 100 99 2.3-2.6 3.0=89, ~7206=21...(23) HB2 ARG 46 - HA LYS 47 far 0 100 0 - 4.0-5.7 HB3 ARG 46 - HA LYS 47 far 0 99 0 - 4.0-5.1 HB3 MET 74 - HA LYS 73 far 0 57 0 - 5.6-5.9 QE MET 74 - HA LYS 73 far 0 34 0 - 6.7-7.5 HB3 GLU 44 - HA LYS 47 far 0 73 0 - 7.8-8.3 HB2 GLU 44 - HA LYS 47 far 0 73 0 - 8.0-8.4 QE MET 74 - HA LYS 47 far 0 71 0 - 8.2-9.1 HB3 MET 74 - HA LYS 47 far 0 100 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 2125 from cnoeabs.peaks (1.92, 4.14, 57.73 ppm; 2.95 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LYS 47 + HA LYS 47 OK 100 100 100 100 3.0-3.0 3.0=93, 2146/2.9=38...(31) HB3 LYS 73 + HA LYS 73 OK 35 35 100 100 2.3-2.6 3.0=98, ~7206=23...(21) HB2 LYS 73 + HA LYS 73 OK 34 34 100 100 2.5-3.0 3.0=98, 7206/3.0=36...(19) HB3 ARG 46 - HA LYS 47 far 0 68 0 - 4.0-5.1 HB3 MET 74 - HA LYS 73 far 0 28 0 - 5.6-5.9 HB2 GLU 43 - HA LYS 47 far 0 94 0 - 7.1-8.0 HB3 MET 74 - HA LYS 47 far 0 61 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 2126 from cnoeabs.peaks (1.49, 4.14, 57.73 ppm; 3.67 A increased from 3.26 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 47 + HA LYS 47 OK 100 100 100 100 2.8-3.9 3.9=83, 6772/2.9=54...(62) HG2 LYS 73 + HA LYS 73 OK 37 57 65 100 3.4-4.2 4.1=73, 7207/3.0=52...(46) HG13 ILE 52 - HA LYS 47 far 0 70 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 2127 from cnoeabs.peaks (1.62, 4.14, 57.73 ppm; 3.59 A): 2 out of 5 assignments used, quality = 1.00: * HG3 LYS 47 + HA LYS 47 OK 100 100 100 100 2.5-3.9 3.9=78, 6773/2.9=60...(65) HG3 LYS 73 + HA LYS 73 OK 44 44 100 100 2.2-3.6 4.1=68, 7208/3.0=50...(52) HB ILE 76 - HA LYS 73 far 0 46 0 - 7.9-8.4 HD2 LYS 39 - HA LYS 73 far 0 35 0 - 8.2-11.8 HD3 LYS 39 - HA LYS 73 far 0 49 0 - 8.4-10.5 Violated in 0 structures by 0.00 A. Peak 2128 from cnoeabs.peaks (1.68, 4.14, 57.73 ppm; 4.48 A increased from 3.77 A): 4 out of 11 assignments used, quality = 0.97: HD3 LYS 47 + HA LYS 47 OK 80 100 80 100 3.8-4.9 5.1=68, 3.0/2126=57...(88) HD3 LYS 73 + HA LYS 73 OK 52 52 100 100 3.1-4.7 5.1=67, ~7208=38...(74) * HD2 LYS 47 + HA LYS 47 OK 45 100 45 100 2.2-5.0 5.1=68, 3.0/2126=57...(99) HD2 LYS 73 + HA LYS 73 OK 37 53 70 100 3.8-5.0 5.1=67, ~7208=38...(72) HB3 LEU 70 - HA LYS 73 far 0 32 0 - 7.2-7.9 HB ILE 52 - HA LYS 47 far 0 99 0 - 7.3-7.8 HG LEU 70 - HA LYS 73 far 0 49 0 - 7.8-8.5 HB ILE 76 - HA LYS 73 far 0 31 0 - 7.9-8.4 HD2 LYS 39 - HA LYS 73 far 0 42 0 - 8.2-11.8 HD3 LYS 39 - HA LYS 73 far 0 27 0 - 8.4-10.5 HB2 LEU 2 - HA LYS 47 far 0 91 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 2129 from cnoeabs.peaks (1.68, 4.14, 57.73 ppm; 4.48 A increased from 3.77 A): 4 out of 10 assignments used, quality = 0.97: * HD3 LYS 47 + HA LYS 47 OK 80 100 80 100 3.8-4.9 5.1=68, 3.0/2126=57...(88) HD3 LYS 73 + HA LYS 73 OK 51 51 100 100 3.1-4.7 5.1=67, ~7208=38...(74) HD2 LYS 47 + HA LYS 47 OK 45 100 45 100 2.2-5.0 5.1=68, 3.0/2126=57...(99) HD2 LYS 73 + HA LYS 73 OK 37 52 70 100 3.8-5.0 5.1=67, ~7208=38...(72) HB3 LEU 70 - HA LYS 73 far 0 33 0 - 7.2-7.9 HB ILE 52 - HA LYS 47 far 0 99 0 - 7.3-7.8 HG LEU 70 - HA LYS 73 far 0 50 0 - 7.8-8.5 HB ILE 76 - HA LYS 73 far 0 30 0 - 7.9-8.4 HD2 LYS 39 - HA LYS 73 far 0 41 0 - 8.2-11.8 HB2 LEU 2 - HA LYS 47 far 0 92 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 2130 from cnoeabs.peaks (2.97, 4.14, 57.73 ppm; 5.00 A): 3 out of 6 assignments used, quality = 0.97: HE3 LYS 47 + HA LYS 47 OK 90 100 90 100 2.3-6.1 3.8/2126=57, 3.8/2127=55...(80) * HE2 LYS 47 + HA LYS 47 OK 60 100 60 100 2.3-6.0 3.8/2126=57, 3.8/2127=55...(79) HE2 LYS 73 + HA LYS 73 OK 31 45 70 100 3.2-5.9 6.7=42, 4.0/3272=36...(63) HE3 LYS 73 - HA LYS 73 poor 20 40 50 - 2.8-6.4 HB2 PHE 45 - HA LYS 47 far 0 99 0 - 7.5-7.8 HB3 PHE 45 - HA LYS 47 far 0 100 0 - 7.6-8.0 Violated in 0 structures by 0.00 A. Peak 2131 from cnoeabs.peaks (2.97, 4.14, 57.73 ppm; 5.00 A): 3 out of 6 assignments used, quality = 0.97: * HE3 LYS 47 + HA LYS 47 OK 90 100 90 100 2.3-6.1 3.8/2126=57, 3.8/2127=55...(80) HE2 LYS 47 + HA LYS 47 OK 60 100 60 100 2.3-6.0 3.8/2126=57, 3.8/2127=55...(79) HE2 LYS 73 + HA LYS 73 OK 31 45 70 100 3.2-5.9 6.7=42, 4.0/3272=36...(63) HE3 LYS 73 - HA LYS 73 poor 20 40 50 - 2.8-6.4 HB2 PHE 45 - HA LYS 47 far 0 99 0 - 7.5-7.8 HB3 PHE 45 - HA LYS 47 far 0 100 0 - 7.6-8.0 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 - 5.4-13.1 H GLU 44 - HA LYS 47 far 0 97 0 - 7.4-7.8 Violated in 0 structures by 0.00 A. Peak 2133 from cnoeabs.peaks (3.94, 1.97, 32.41 ppm; 5.40 A increased from 4.55 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 44 + HB2 LYS 47 OK 100 100 100 100 5.0-5.2 2145/1.8=97...(12) HB2 SER 97 - HB3 LYS 24 far 0 65 0 - 7.2-9.4 HB2 SER 97 - HB2 LYS 24 far 0 65 0 - 7.6-8.6 HB2 SER 97 - HB2 MET 1 far 0 50 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 2134 from cnoeabs.peaks (7.47, 1.97, 32.41 ppm; 3.71 A increased from 3.49 A): 1 out of 11 assignments used, quality = 1.00: * H LYS 47 + HB2 LYS 47 OK 100 100 100 100 3.6-3.6 2146/1.8=78, 4.0=77...(23) HD22 ASN 26 - HB3 LYS 24 far 0 69 0 - 5.5-8.3 HE22 GLN 72 - HB2 LYS 73 far 0 64 0 - 5.7-9.0 HD22 ASN 26 - HB2 LYS 24 far 0 69 0 - 6.2-9.1 HE ARG 46 - HB2 LYS 73 far 0 92 0 - 7.1-12.2 HE ARG 46 - HB3 LYS 73 far 0 91 0 - 7.2-11.4 HE22 GLN 72 - HB3 LYS 73 far 0 63 0 - 7.3-9.9 HE ARG 46 - HB2 LYS 47 far 0 100 0 - 7.6-10.4 H ILE 52 - HB2 MET 1 far 0 43 0 - 8.2-8.8 HD22 ASN 26 - HB2 MET 1 far 0 54 0 - 9.5-13.2 H ILE 52 - HB2 LYS 47 far 0 90 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 2135 from cnoeabs.peaks (4.14, 1.97, 32.41 ppm; 3.00 A): 4 out of 10 assignments used, quality = 1.00: * HA LYS 47 + HB2 LYS 47 OK 100 100 100 100 2.4-2.5 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 2.3-2.6 3.0=100 HA MET 1 + HB2 MET 1 OK 49 50 100 99 3.0-3.0 3.0=99 HA GLU 23 - HB2 LYS 24 far 0 69 0 - 5.6-5.8 HA GLN 72 - HB2 LYS 73 far 0 89 0 - 5.7-5.9 HA GLU 23 - HB3 LYS 24 far 0 69 0 - 5.9-6.6 HA GLN 72 - HB3 LYS 73 far 0 88 0 - 6.6-6.6 HA GLU 104 - HB2 MET 1 far 0 48 0 - 7.9-17.2 HA GLU 99 - HB2 MET 1 far 0 45 0 - 9.2-11.3 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 21 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 HB2 LYS 24 + HB3 LYS 24 OK 36 36 100 100 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 HB3 MET 74 - HB2 LYS 73 far 0 51 0 - 4.8-6.3 HB3 LYS 20 - HB2 LYS 24 far 0 67 0 - 5.0-7.0 HB2 LYS 20 - HB2 LYS 24 far 0 40 0 - 5.2-7.1 HB3 MET 74 - HB3 LYS 73 far 0 50 0 - 5.6-6.4 HB2 LYS 94 - HB3 LYS 24 far 0 69 0 - 5.7-9.3 HB3 ARG 46 - HB2 LYS 47 far 0 68 0 - 5.7-6.6 HB2 LYS 20 - HB3 LYS 24 far 0 40 0 - 5.8-8.7 HB2 LYS 94 - HB2 LYS 24 far 0 69 0 - 5.8-8.6 HB3 LYS 20 - HB3 LYS 24 far 0 67 0 - 6.6-8.1 HB2 GLU 43 - HB2 LYS 47 far 0 94 0 - 7.6-8.3 HG LEU 42 - HB2 LYS 73 far 0 69 0 - 8.8-11.4 HB2 ARG 19 - HB2 LYS 24 far 0 44 0 - 8.8-9.6 HB3 ARG 19 - HB2 LYS 24 far 0 69 0 - 8.9-9.6 HB2 GLU 17 - HB2 LYS 24 far 0 61 0 - 9.1-10.1 HB2 ARG 19 - HB3 LYS 24 far 0 44 0 - 9.5-11.0 HB3 ARG 19 - HB3 LYS 24 far 0 69 0 - 10.0-11.3 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 19 assignments used, quality = 1.00: * HG2 LYS 47 + HB2 LYS 47 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 73 + HB2 LYS 73 OK 92 92 100 100 2.2-2.3 2.9=100 HG2 LYS 73 + HB3 LYS 73 OK 91 91 100 100 2.7-3.0 2.9=100 HG3 LYS 24 + HB2 LYS 24 OK 61 61 100 100 2.2-3.0 2.9=100 HG3 LYS 24 + HB3 LYS 24 OK 61 61 100 100 2.5-3.0 2.9=100 HG LEU 2 - HB2 MET 1 far 0 41 0 - 5.1-6.0 HB3 LEU 103 - HB2 MET 1 far 0 33 0 - 5.6-16.0 HG3 LYS 53 - HB2 MET 1 far 0 42 0 - 6.3-6.9 HG2 LYS 20 - HB2 LYS 24 far 0 41 0 - 6.4-8.2 HD2 LYS 53 - HB2 MET 1 far 0 33 0 - 6.7-7.5 HB2 LEU 27 - HB2 LYS 24 far 0 41 0 - 7.2-8.4 HG2 LYS 53 - HB2 MET 1 far 0 37 0 - 7.6-8.5 HG2 LYS 20 - HB3 LYS 24 far 0 41 0 - 7.7-9.7 HB2 LEU 27 - HB3 LYS 24 far 0 41 0 - 8.0-9.5 HG13 ILE 52 - HB2 MET 1 far 0 31 0 - 8.1-8.7 HG13 ILE 52 - HB2 LYS 47 far 0 70 0 - 8.8-9.5 HB2 LEU 38 - HB2 LYS 73 far 0 55 0 - 9.3-12.3 HG LEU 2 - HB2 LYS 47 far 0 87 0 - 9.6-10.7 HG LEU 38 - HB2 LYS 73 far 0 62 0 - 9.8-11.8 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 28 assignments used, quality = 1.00: * HG3 LYS 47 + HB2 LYS 47 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 73 + HB2 LYS 73 OK 75 75 100 100 2.7-3.0 2.9=100 HG3 LYS 73 + HB3 LYS 73 OK 74 74 100 100 2.7-2.9 2.9=100 HG2 LYS 24 + HB3 LYS 24 OK 38 38 100 100 2.3-3.0 2.9=100 HG2 LYS 24 + HB2 LYS 24 OK 38 38 100 100 2.3-3.0 2.9=100 HD2 LYS 39 - HB2 LYS 73 far 0 62 0 - 5.3-10.6 HD3 LYS 39 - HB2 LYS 73 far 0 82 0 - 5.6-9.5 HD2 LYS 94 - HB2 LYS 24 far 0 69 0 - 6.0-8.7 HD2 LYS 39 - HB3 LYS 73 far 0 61 0 - 6.1-10.4 HD2 LYS 94 - HB3 LYS 24 far 0 69 0 - 6.1-8.5 HD3 LYS 39 - HB3 LYS 73 far 0 80 0 - 6.3-9.1 HB2 LEU 103 - HB2 MET 1 far 0 28 0 - 6.8-15.8 HG3 LYS 90 - HB2 LYS 24 far 0 36 0 - 7.1-7.8 HG LEU 27 - HB2 LYS 24 far 0 54 0 - 7.1-8.0 HG LEU 27 - HB3 LYS 24 far 0 54 0 - 7.2-8.5 HD3 LYS 94 - HB3 LYS 24 far 0 54 0 - 7.3-10.1 HD3 LYS 94 - HB2 LYS 24 far 0 54 0 - 7.4-10.5 HB ILE 76 - HB2 LYS 73 far 0 78 0 - 7.5-9.0 HG3 LYS 90 - HB3 LYS 24 far 0 36 0 - 8.1-9.1 HD2 LYS 66 - HB2 LYS 73 far 0 79 0 - 8.5-10.9 HB ILE 76 - HB3 LYS 73 far 0 77 0 - 8.8-9.5 HG2 LYS 68 - HB2 LYS 73 far 0 80 0 - 8.8-10.1 HB3 LEU 29 - HB2 LYS 24 far 0 52 0 - 9.1-9.5 HG LEU 27 - HB2 MET 1 far 0 41 0 - 9.3-10.5 HD2 LYS 66 - HB3 LYS 73 far 0 78 0 - 9.4-11.8 HD3 LYS 68 - HB2 LYS 73 far 0 67 0 - 9.5-12.0 HB3 LEU 29 - HB3 LYS 24 far 0 52 0 - 9.8-10.9 HD2 LYS 68 - HB2 LYS 73 far 0 66 0 - 9.9-12.0 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 37 assignments used, quality = 1.00: HD3 LYS 47 + HB2 LYS 47 OK 64 100 65 99 2.7-3.7 3.9=42, 6775/2134=11...(115) HD3 LYS 73 + HB3 LYS 73 OK 63 84 75 99 2.0-3.6 3.6=56, 3298/2.9=19...(115) HD2 LYS 24 + HB2 LYS 24 OK 53 63 85 99 2.1-3.7 3.6=57, 11063/957=13...(101) * HD2 LYS 47 + HB2 LYS 47 OK 45 100 45 99 2.2-3.8 3.9=42, 2195/3.0=16...(127) HD2 LYS 24 + HB3 LYS 24 OK 40 63 65 99 2.3-3.9 3.6=57, 1120/1.8=13...(100) HD2 LYS 73 + HB3 LYS 73 OK 38 86 45 99 2.1-3.5 3.6=56, 3298/2.9=18...(112) HD3 LYS 24 + HB2 LYS 24 OK 37 62 60 99 2.1-4.2 3.6=57, 1.8/1119=14...(103) HD3 LYS 24 + HB3 LYS 24 OK 37 62 60 99 2.2-4.1 3.6=57, ~1096=12...(104) HD2 LYS 73 + HB2 LYS 73 OK 22 87 25 99 3.0-4.2 3.6=56, 3298/2.9=18...(120) HD3 LYS 73 + HB2 LYS 73 OK 21 86 25 99 2.9-4.0 3.6=56, 3298/2.9=19...(127) HB3 LEU 70 - HB2 LYS 73 far 0 57 0 - 4.4-6.5 HG LEU 70 - HB2 LYS 73 far 0 83 0 - 5.2-6.4 HD2 LYS 39 - HB2 LYS 73 far 0 72 0 - 5.3-10.6 HG3 LYS 20 - HB2 LYS 24 far 0 69 0 - 5.4-8.4 HD3 LYS 39 - HB2 LYS 73 far 0 50 0 - 5.6-9.5 HB3 LEU 70 - HB3 LYS 73 far 0 56 0 - 6.0-7.3 HD2 LYS 39 - HB3 LYS 73 far 0 71 0 - 6.1-10.4 HB2 LEU 2 - HB2 MET 1 far 0 44 0 - 6.3-6.7 HD3 LYS 39 - HB3 LYS 73 far 0 49 0 - 6.3-9.1 HG LEU 70 - HB3 LYS 73 far 0 82 0 - 6.5-7.6 HG3 LYS 20 - HB3 LYS 24 far 0 69 0 - 6.7-10.1 HD3 LYS 20 - HB2 LYS 24 far 0 69 0 - 7.3-9.9 HB3 LYS 53 - HB2 MET 1 far 0 54 0 - 7.4-8.3 HB ILE 76 - HB2 LYS 73 far 0 55 0 - 7.5-9.0 HB ILE 52 - HB2 LYS 47 far 0 99 0 - 7.6-8.0 HD2 LYS 20 - HB2 LYS 24 far 0 69 0 - 8.1-9.8 HD3 LYS 66 - HB2 LYS 73 far 0 79 0 - 8.3-9.6 HB ILE 52 - HB2 MET 1 far 0 52 0 - 8.5-9.3 HB ILE 76 - HB3 LYS 73 far 0 54 0 - 8.8-9.5 HG2 LYS 68 - HB2 LYS 73 far 0 51 0 - 8.8-10.1 HD3 LYS 20 - HB3 LYS 24 far 0 69 0 - 9.0-11.2 HD2 LYS 20 - HB3 LYS 24 far 0 69 0 - 9.1-11.3 HD3 LYS 66 - HB3 LYS 73 far 0 78 0 - 9.3-10.6 HB2 LEU 2 - HB2 LYS 47 far 0 91 0 - 9.4-10.4 HD3 LYS 90 - HB2 LYS 24 far 0 62 0 - 9.4-10.6 HD3 LYS 68 - HB2 LYS 73 far 0 67 0 - 9.5-12.0 HD2 LYS 68 - HB2 LYS 73 far 0 69 0 - 9.9-12.0 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 35 assignments used, quality = 1.00: * HD3 LYS 47 + HB2 LYS 47 OK 64 100 65 99 2.7-3.7 3.9=42, 6775/2134=11...(115) HD3 LYS 73 + HB3 LYS 73 OK 62 84 75 99 2.0-3.6 3.6=56, 3298/2.9=19...(115) HD2 LYS 24 + HB2 LYS 24 OK 54 64 85 99 2.1-3.7 3.6=57, 11063/958=14...(101) HD2 LYS 47 + HB2 LYS 47 OK 45 100 45 99 2.2-3.8 3.9=42, 2195/3.0=16...(127) HD2 LYS 24 + HB3 LYS 24 OK 41 64 65 99 2.3-3.9 3.6=57, 1119/1.8=13...(100) HD2 LYS 73 + HB3 LYS 73 OK 38 85 45 99 2.1-3.5 3.6=56, 3298/2.9=18...(112) HD3 LYS 24 + HB2 LYS 24 OK 37 63 60 99 2.1-4.2 3.6=57, 1.8/1120=14...(103) HD3 LYS 24 + HB3 LYS 24 OK 37 63 60 99 2.2-4.1 3.6=57, ~1096=12...(104) HD2 LYS 73 + HB2 LYS 73 OK 21 87 25 99 3.0-4.2 3.6=56, 3298/2.9=18...(120) HD3 LYS 73 + HB2 LYS 73 OK 21 85 25 99 2.9-4.0 3.6=56, 3298/2.9=19...(127) HB3 LEU 70 - HB2 LYS 73 far 0 59 0 - 4.4-6.5 HG LEU 70 - HB2 LYS 73 far 0 84 0 - 5.2-6.4 HD2 LYS 39 - HB2 LYS 73 far 0 71 0 - 5.3-10.6 HG3 LYS 20 - HB2 LYS 24 far 0 68 0 - 5.4-8.4 HB3 LEU 70 - HB3 LYS 73 far 0 58 0 - 6.0-7.3 HD2 LYS 39 - HB3 LYS 73 far 0 69 0 - 6.1-10.4 HB2 LEU 2 - HB2 MET 1 far 0 45 0 - 6.3-6.7 HG LEU 70 - HB3 LYS 73 far 0 83 0 - 6.5-7.6 HG3 LYS 20 - HB3 LYS 24 far 0 68 0 - 6.7-10.1 HD3 LYS 20 - HB2 LYS 24 far 0 68 0 - 7.3-9.9 HB3 LYS 53 - HB2 MET 1 far 0 54 0 - 7.4-8.3 HB ILE 76 - HB2 LYS 73 far 0 53 0 - 7.5-9.0 HB ILE 52 - HB2 LYS 47 far 0 99 0 - 7.6-8.0 HD2 LYS 20 - HB2 LYS 24 far 0 69 0 - 8.1-9.8 HD3 LYS 66 - HB2 LYS 73 far 0 80 0 - 8.3-9.6 HB ILE 52 - HB2 MET 1 far 0 51 0 - 8.5-9.3 HB ILE 76 - HB3 LYS 73 far 0 52 0 - 8.8-9.5 HG2 LYS 68 - HB2 LYS 73 far 0 50 0 - 8.8-10.1 HD3 LYS 20 - HB3 LYS 24 far 0 68 0 - 9.0-11.2 HD2 LYS 20 - HB3 LYS 24 far 0 69 0 - 9.1-11.3 HD3 LYS 66 - HB3 LYS 73 far 0 79 0 - 9.3-10.6 HB2 LEU 2 - HB2 LYS 47 far 0 92 0 - 9.4-10.4 HD3 LYS 90 - HB2 LYS 24 far 0 63 0 - 9.4-10.6 HD3 LYS 68 - HB2 LYS 73 far 0 66 0 - 9.5-12.0 HD2 LYS 68 - HB2 LYS 73 far 0 67 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 2142 from cnoeabs.peaks (2.97, 1.97, 32.41 ppm; 4.05 A): 9 out of 17 assignments used, quality = 1.00: HE3 LYS 47 + HB2 LYS 47 OK 95 100 95 100 2.0-4.7 4.9=57, 2215/1.8=25...(112) * HE2 LYS 47 + HB2 LYS 47 OK 85 100 85 100 2.0-4.6 4.9=57, 6.6/2134=22...(124) HE2 LYS 73 + HB3 LYS 73 OK 75 75 100 100 2.5-4.3 4.9=57, ~3298=12...(104) HE3 LYS 73 + HB3 LYS 73 OK 58 68 85 100 2.4-4.5 4.9=57, 1.8/3306=15...(110) HE2 LYS 73 + HB2 LYS 73 OK 50 77 65 100 2.3-5.3 4.9=57, 7.0/7205=19...(125) HE3 LYS 73 + HB2 LYS 73 OK 38 69 55 100 2.7-5.1 4.9=57, 7.0/7205=19...(126) HE3 LYS 24 + HB3 LYS 24 OK 29 65 45 100 2.2-5.5 4.9=55, ~12306=41...(101) HE2 LYS 24 + HB2 LYS 24 OK 26 65 40 100 3.1-5.1 12306/3.0=63, 4.9=55...(104) HE3 LYS 24 + HB2 LYS 24 OK 23 65 35 100 2.4-5.0 4.9=55, ~12306=41...(103) HE2 LYS 24 - HB3 LYS 24 poor 20 65 30 - 2.6-4.8 HB2 ASN 51 - HB2 MET 1 far 0 37 0 - 5.1-5.6 HG2 MET 21 - HB2 LYS 24 far 0 41 0 - 5.5-6.1 HG2 MET 21 - HB3 LYS 24 far 0 41 0 - 6.0-7.4 HB3 PHE 45 - HB2 LYS 47 far 0 100 0 - 8.0-8.6 HB2 PHE 45 - HB2 LYS 47 far 0 99 0 - 8.1-8.6 HE3 LYS 90 - HB2 LYS 24 far 0 36 0 - 8.4-9.8 HE3 LYS 90 - HB3 LYS 24 far 0 36 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 2143 from cnoeabs.peaks (2.97, 1.97, 32.41 ppm; 4.05 A): 9 out of 17 assignments used, quality = 1.00: * HE3 LYS 47 + HB2 LYS 47 OK 95 100 95 100 2.0-4.7 4.9=57, 2215/1.8=25...(112) HE2 LYS 47 + HB2 LYS 47 OK 85 100 85 100 2.0-4.6 4.9=57, 6.6/2134=22...(124) HE2 LYS 73 + HB3 LYS 73 OK 75 75 100 100 2.5-4.3 4.9=57, ~3298=12...(104) HE3 LYS 73 + HB3 LYS 73 OK 58 68 85 100 2.4-4.5 4.9=57, 1.8/3306=15...(110) HE2 LYS 73 + HB2 LYS 73 OK 50 77 65 100 2.3-5.3 4.9=57, 7.0/7205=19...(125) HE3 LYS 73 + HB2 LYS 73 OK 38 69 55 100 2.7-5.1 4.9=57, 7.0/7205=19...(126) HE3 LYS 24 + HB3 LYS 24 OK 29 65 45 100 2.2-5.5 4.9=55, ~12306=41...(101) HE2 LYS 24 + HB2 LYS 24 OK 26 65 40 100 3.1-5.1 12306/3.0=63, 4.9=55...(104) HE3 LYS 24 + HB2 LYS 24 OK 23 65 35 100 2.4-5.0 4.9=55, ~12306=41...(103) HE2 LYS 24 - HB3 LYS 24 poor 20 65 30 - 2.6-4.8 HB2 ASN 51 - HB2 MET 1 far 0 37 0 - 5.1-5.6 HG2 MET 21 - HB2 LYS 24 far 0 41 0 - 5.5-6.1 HG2 MET 21 - HB3 LYS 24 far 0 41 0 - 6.0-7.4 HB3 PHE 45 - HB2 LYS 47 far 0 100 0 - 8.0-8.6 HB2 PHE 45 - HB2 LYS 47 far 0 99 0 - 8.1-8.6 HE3 LYS 90 - HB2 LYS 24 far 0 36 0 - 8.4-9.8 HE3 LYS 90 - HB3 LYS 24 far 0 36 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 2144 from cnoeabs.peaks (7.62, 1.97, 32.41 ppm; 4.10 A increased from 3.64 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 48 + HB2 LYS 47 OK 100 100 100 100 3.6-4.1 6782=100, 6783/1.8=87...(10) HE22 GLN 50 - HB2 LYS 47 far 0 99 0 - 5.9-13.3 H GLU 44 - HB2 LYS 47 far 0 97 0 - 7.5-7.7 HE22 GLN 50 - HB2 MET 1 far 0 53 0 - 9.9-14.7 Violated in 1 structures by 0.00 A. Peak 2145 from cnoeabs.peaks (3.94, 1.92, 32.41 ppm; 4.48 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 44 + HB3 LYS 47 OK 100 100 100 100 3.9-4.4 12088/3.0=66...(13) HB2 SER 97 - HB2 LYS 94 far 0 89 0 - 5.7-7.0 HA ALA 89 - HB2 LYS 94 far 0 56 0 - 7.8-10.0 HA TYR 41 - HB3 LYS 47 far 0 99 0 - 9.2-9.8 HB2 SER 97 - HB2 MET 1 far 0 71 0 - 9.4-10.6 Violated in 0 structures by 0.00 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 2.5-2.7 6771=78, 2134/1.8=68...(25) H ARG 91 - HB2 LYS 94 far 0 93 0 - 5.0-7.3 HE ARG 19 - HB3 LYS 20 far 0 76 0 - 6.9-10.5 HE ARG 46 - HB3 LYS 47 far 0 100 0 - 7.5-10.1 H ILE 52 - HB2 MET 1 far 0 62 0 - 8.2-8.8 H ILE 52 - HB3 LYS 47 far 0 90 0 - 8.4-9.0 H ARG 91 - HB3 LYS 20 far 0 87 0 - 9.4-11.7 HD22 ASN 26 - HB2 LYS 94 far 0 93 0 - 9.4-14.3 HD22 ASN 26 - HB2 MET 1 far 0 76 0 - 9.5-13.2 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 7 assignments used, quality = 1.00: * HA LYS 47 + HB3 LYS 47 OK 100 100 100 100 3.0-3.0 3.0=100 HA MET 1 + HB2 MET 1 OK 70 70 100 100 3.0-3.0 3.0=100 HA GLU 23 - HB3 LYS 20 far 0 87 0 - 7.4-8.3 HA GLU 104 - HB2 MET 1 far 0 68 0 - 7.9-17.2 HA LYS 13 - HB3 LYS 20 far 0 84 0 - 8.6-10.5 HA GLU 99 - HB2 MET 1 far 0 65 0 - 9.2-11.3 HA GLU 99 - HB2 LYS 94 far 0 82 0 - 9.5-10.6 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 17 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 0 74 0 - 4.1-4.3 HB3 ARG 19 - HB3 LYS 20 far 0 46 0 - 4.5-5.8 HB2 GLU 17 - HB3 LYS 20 far 0 66 0 - 4.8-7.5 HB2 LYS 24 - HB3 LYS 20 far 0 87 0 - 5.0-7.0 HB3 ARG 46 - HB3 LYS 47 far 0 99 0 - 5.4-6.1 HB3 LYS 24 - HB2 LYS 94 far 0 92 0 - 5.7-9.3 HB2 ARG 46 - HB3 LYS 47 far 0 100 0 - 5.8-6.8 HB2 LYS 24 - HB2 LYS 94 far 0 92 0 - 5.8-8.6 HB3 GLU 44 - HB3 LYS 47 far 0 73 0 - 5.9-6.4 HB3 GLU 17 - HB3 LYS 20 far 0 48 0 - 5.9-8.1 HB2 GLU 44 - HB3 LYS 47 far 0 73 0 - 6.0-6.6 HB3 LYS 24 - HB3 LYS 20 far 0 87 0 - 6.6-8.1 QE MET 74 - HB3 LYS 47 far 0 71 0 - 8.7-9.6 HB3 LYS 20 - HB2 LYS 94 far 0 60 0 - 9.6-11.8 HB2 GLU 17 - HB2 LYS 94 far 0 72 0 - 9.9-11.5 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 17 assignments used, quality = 1.00: * HG2 LYS 47 + HB3 LYS 47 OK 100 100 100 100 2.2-2.7 3.0=100 HG2 LYS 20 + HB3 LYS 20 OK 55 55 100 100 2.4-3.0 3.0=100 HG3 ARG 91 - HB2 LYS 94 far 0 51 0 - 4.4-7.5 HG LEU 2 - HB2 MET 1 far 0 60 0 - 5.1-6.0 HB2 ARG 91 - HB2 LYS 94 far 0 93 0 - 5.2-7.2 HG3 LYS 24 - HB3 LYS 20 far 0 79 0 - 5.3-8.7 HB3 LEU 103 - HB2 MET 1 far 0 49 0 - 5.6-16.0 HG3 LYS 53 - HB2 MET 1 far 0 61 0 - 6.3-6.9 HD2 LYS 53 - HB2 MET 1 far 0 49 0 - 6.7-7.5 HG3 LYS 24 - HB2 LYS 94 far 0 85 0 - 7.1-10.9 HG13 ILE 52 - HB3 LYS 47 far 0 70 0 - 7.3-8.0 HG2 LYS 53 - HB2 MET 1 far 0 54 0 - 7.6-8.5 HG13 ILE 52 - HB2 MET 1 far 0 46 0 - 8.1-8.7 HB2 LEU 27 - HB2 LYS 94 far 0 60 0 - 8.6-10.5 HG LEU 2 - HB3 LYS 47 far 0 87 0 - 8.7-9.9 HG LEU 57 - HB2 LYS 94 far 0 91 0 - 9.7-11.6 HB ILE 7 - HB3 LYS 20 far 0 60 0 - 9.9-12.0 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 2.2-3.0 3.0=100 HD2 LYS 94 + HB2 LYS 94 OK 86 93 95 97 2.3-3.8 3.5=80, 4235/2.9=18...(24) HD3 LYS 94 + HB2 LYS 94 OK 26 76 35 97 2.9-3.8 3.5=80, 6.3/7513=13...(29) HG3 LYS 90 - HB3 LYS 20 far 0 48 0 - 4.5-6.9 HG2 LYS 24 - HB3 LYS 20 far 0 51 0 - 4.5-9.3 HG2 ARG 19 - HB3 LYS 20 far 0 49 0 - 6.2-8.0 HB2 LEU 103 - HB2 MET 1 far 0 41 0 - 6.8-15.8 HG3 LYS 90 - HB2 LYS 94 far 0 52 0 - 7.1-8.7 HG2 LYS 24 - HB2 LYS 94 far 0 56 0 - 7.7-10.8 HG LEU 27 - HB2 LYS 94 far 0 76 0 - 8.0-9.4 HB3 LEU 29 - HB3 LYS 20 far 0 67 0 - 8.5-9.3 HG LEU 27 - HB2 MET 1 far 0 60 0 - 9.3-10.5 HD2 LYS 94 - HB3 LYS 20 far 0 87 0 - 9.8-11.5 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 20 assignments used, quality = 1.00: HG3 LYS 20 + HB3 LYS 20 OK 87 87 100 100 2.2-2.7 3.0=100 HD3 LYS 47 + HB3 LYS 47 OK 70 100 70 100 2.4-4.2 3.9=54, 3.0/2155=17...(131) HD2 LYS 20 + HB3 LYS 20 OK 60 87 70 98 2.4-4.2 3.5=75, ~848=16, ~883=16...(56) HD3 LYS 20 + HB3 LYS 20 OK 59 87 70 98 2.0-3.9 3.5=75, ~848=16, ~883=16...(46) * HD2 LYS 47 + HB3 LYS 47 OK 25 100 25 100 2.7-3.7 3.9=54, 2195/3.0=18...(133) HD3 LYS 24 - HB3 LYS 20 far 0 80 0 - 3.5-9.0 HD2 LYS 24 - HB3 LYS 20 far 0 81 0 - 4.4-7.6 HB3 ARG 91 - HB2 LYS 94 far 0 93 0 - 5.6-7.8 HD3 LYS 90 - HB3 LYS 20 far 0 80 0 - 6.2-8.9 HB2 LEU 2 - HB2 MET 1 far 0 63 0 - 6.3-6.7 HD3 LYS 24 - HB2 LYS 94 far 0 86 0 - 6.4-10.7 HB ILE 52 - HB3 LYS 47 far 0 99 0 - 6.4-6.9 HD2 LYS 24 - HB2 LYS 94 far 0 87 0 - 6.7-11.3 HB3 LYS 53 - HB2 MET 1 far 0 75 0 - 7.4-8.3 HB2 LEU 2 - HB3 LYS 47 far 0 91 0 - 8.0-9.2 HB ILE 52 - HB2 MET 1 far 0 73 0 - 8.5-9.3 HD3 LYS 90 - HB2 LYS 94 far 0 86 0 - 8.8-10.7 HD3 LYS 13 - HB3 LYS 20 far 0 73 0 - 9.1-12.9 HD2 LYS 13 - HB3 LYS 20 far 0 76 0 - 9.2-14.4 HG2 PRO 86 - HB3 LYS 20 far 0 83 0 - 9.8-12.5 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 20 assignments used, quality = 0.99: HG3 LYS 20 + HB3 LYS 20 OK 86 86 100 100 2.2-2.7 3.0=100 * HD3 LYS 47 + HB3 LYS 47 OK 70 100 70 100 2.4-4.2 3.9=54, 3.0/2155=17...(131) HD2 LYS 20 + HB3 LYS 20 OK 60 87 70 98 2.4-4.2 3.5=75, ~848=16, ~883=16...(56) HD3 LYS 20 + HB3 LYS 20 OK 59 86 70 98 2.0-3.9 3.5=75, ~848=16, ~883=16...(46) HD2 LYS 47 + HB3 LYS 47 OK 25 100 25 100 2.7-3.7 3.9=54, 2195/3.0=18...(133) HD3 LYS 24 - HB3 LYS 20 far 0 81 0 - 3.5-9.0 HD2 LYS 24 - HB3 LYS 20 far 0 82 0 - 4.4-7.6 HB3 ARG 91 - HB2 LYS 94 far 0 93 0 - 5.6-7.8 HD3 LYS 90 - HB3 LYS 20 far 0 81 0 - 6.2-8.9 HB2 LEU 2 - HB2 MET 1 far 0 65 0 - 6.3-6.7 HD3 LYS 24 - HB2 LYS 94 far 0 87 0 - 6.4-10.7 HB ILE 52 - HB3 LYS 47 far 0 99 0 - 6.4-6.9 HD2 LYS 24 - HB2 LYS 94 far 0 88 0 - 6.7-11.3 HB3 LYS 53 - HB2 MET 1 far 0 76 0 - 7.4-8.3 HB2 LEU 2 - HB3 LYS 47 far 0 92 0 - 8.0-9.2 HB ILE 52 - HB2 MET 1 far 0 73 0 - 8.5-9.3 HD3 LYS 90 - HB2 LYS 94 far 0 87 0 - 8.8-10.7 HD3 LYS 13 - HB3 LYS 20 far 0 74 0 - 9.1-12.9 HD2 LYS 13 - HB3 LYS 20 far 0 77 0 - 9.2-14.4 HG2 PRO 86 - HB3 LYS 20 far 0 84 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 2154 from cnoeabs.peaks (2.97, 1.92, 32.41 ppm; 4.36 A): 2 out of 16 assignments used, quality = 0.99: HE3 LYS 47 + HB3 LYS 47 OK 95 100 95 100 2.1-4.8 4.9=72, 6.6/2146=27...(119) * HE2 LYS 47 + HB3 LYS 47 OK 90 100 90 100 2.7-5.0 4.9=72, 6.6/2146=27...(123) HE2 LYS 24 - HB3 LYS 20 far 4 83 5 - 4.4-9.6 HE3 LYS 24 - HB3 LYS 20 far 4 83 5 - 4.6-9.9 HG2 MET 21 - HB2 LYS 94 far 0 60 0 - 4.7-6.8 HG2 MET 21 - HB3 LYS 20 far 0 55 0 - 5.0-6.8 HB2 ASN 51 - HB2 MET 1 far 0 54 0 - 5.1-5.6 HE3 LYS 90 - HB3 LYS 20 far 0 48 0 - 5.2-7.6 HE2 LYS 24 - HB2 LYS 94 far 0 89 0 - 5.4-12.9 HB3 PHE 45 - HB3 LYS 47 far 0 100 0 - 6.3-7.0 HB2 PHE 45 - HB3 LYS 47 far 0 99 0 - 6.5-7.1 HE3 LYS 24 - HB2 LYS 94 far 0 89 0 - 7.1-13.1 HE3 LYS 90 - HB2 LYS 94 far 0 52 0 - 8.3-10.7 HE2 LYS 13 - HB3 LYS 20 far 0 82 0 - 9.4-14.2 HE3 LYS 13 - HB3 LYS 20 far 0 80 0 - 9.6-14.5 HE3 LYS 12 - HB3 LYS 20 far 0 85 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 2155 from cnoeabs.peaks (2.97, 1.92, 32.41 ppm; 4.36 A): 2 out of 16 assignments used, quality = 0.99: * HE3 LYS 47 + HB3 LYS 47 OK 95 100 95 100 2.1-4.8 4.9=72, 6.6/2146=27...(119) HE2 LYS 47 + HB3 LYS 47 OK 90 100 90 100 2.7-5.0 4.9=72, 6.6/2146=27...(123) HE2 LYS 24 - HB3 LYS 20 far 4 83 5 - 4.4-9.6 HE3 LYS 24 - HB3 LYS 20 far 4 83 5 - 4.6-9.9 HG2 MET 21 - HB2 LYS 94 far 0 60 0 - 4.7-6.8 HG2 MET 21 - HB3 LYS 20 far 0 55 0 - 5.0-6.8 HB2 ASN 51 - HB2 MET 1 far 0 54 0 - 5.1-5.6 HE3 LYS 90 - HB3 LYS 20 far 0 48 0 - 5.2-7.6 HE2 LYS 24 - HB2 LYS 94 far 0 89 0 - 5.4-12.9 HB3 PHE 45 - HB3 LYS 47 far 0 100 0 - 6.3-7.0 HB2 PHE 45 - HB3 LYS 47 far 0 99 0 - 6.5-7.1 HE3 LYS 24 - HB2 LYS 94 far 0 89 0 - 7.1-13.1 HE3 LYS 90 - HB2 LYS 94 far 0 52 0 - 8.3-10.7 HE2 LYS 13 - HB3 LYS 20 far 0 82 0 - 9.4-14.2 HE3 LYS 13 - HB3 LYS 20 far 0 80 0 - 9.6-14.5 HE3 LYS 12 - HB3 LYS 20 far 0 85 0 - 9.9-16.5 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 2.4-3.0 6783=100, 6782/1.8=80...(10) H GLU 44 - HB3 LYS 47 far 0 97 0 - 6.2-6.7 HE22 GLN 50 - HB3 LYS 47 far 0 99 0 - 6.4-12.8 HE22 GLN 50 - HB2 MET 1 far 0 74 0 - 9.9-14.7 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 2.0-3.6 6772=100, 6773/1.8=92...(31) H ILE 52 + HG2 LYS 53 OK 21 50 60 70 4.2-4.6 4.0/10852=41, 6863=15...(6) H ILE 52 - HG3 LYS 53 far 0 62 0 - 4.5-5.4 HE ARG 46 - HG2 LYS 47 far 0 100 0 - 5.6-9.9 HE22 GLN 72 - HG2 LYS 73 far 0 75 0 - 6.2-9.2 HD22 ASN 26 - HG3 LYS 24 far 0 88 0 - 6.6-9.1 HE ARG 19 - HG3 LYS 33 far 0 76 0 - 8.1-12.2 HE ARG 46 - HG2 LYS 73 far 0 100 0 - 9.0-12.5 HE ARG 19 - HG3 LYS 24 far 0 77 0 - 9.7-15.2 H ILE 52 - HG2 LYS 47 far 0 90 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 2158 from cnoeabs.peaks (4.14, 1.49, 25.00 ppm; 3.21 A): 3 out of 11 assignments used, quality = 1.00: HA LYS 13 + HG3 LYS 13 OK 97 97 100 100 2.5-3.3 486=85, 518/1.8=49...(41) * HA LYS 47 + HG2 LYS 47 OK 80 100 80 100 2.8-3.9 3.9=56, 2.9/6772=41...(54) HA LYS 73 + HG2 LYS 73 OK 32 81 40 99 3.4-4.2 4.1=49, 3.0/7207=40...(39) HA GLU 23 - HG3 LYS 24 far 0 88 0 - 5.4-7.3 HA GLN 72 - HG2 LYS 73 far 0 98 0 - 5.8-6.8 HA MET 1 - HG3 LYS 53 far 0 70 0 - 5.9-6.5 HA MET 1 - HG2 LYS 53 far 0 58 0 - 6.9-7.8 HA GLU 99 - HG3 LYS 53 far 0 64 0 - 8.8-10.3 HA GLU 104 - HG2 LYS 53 far 0 55 0 - 9.4-16.1 HA GLU 104 - HG3 LYS 53 far 0 67 0 - 9.8-14.7 HA GLU 99 - HG2 LYS 53 far 0 52 0 - 9.9-11.2 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 27 assignments used, quality = 1.00: * HB2 LYS 47 + HG2 LYS 47 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 73 + HG2 LYS 73 OK 98 98 100 100 2.2-2.3 2.9=100 HB3 LYS 73 + HG2 LYS 73 OK 98 98 100 100 2.7-3.0 2.9=100 HB2 LYS 24 + HG3 LYS 24 OK 88 88 100 100 2.2-3.0 2.9=100 HB3 LYS 24 + HG3 LYS 24 OK 88 88 100 100 2.5-3.0 2.9=100 QE MET 1 + HG3 LYS 53 OK 66 74 100 89 2.0-3.0 8027/3.0=32...(14) QE MET 1 + HG2 LYS 53 OK 38 61 70 89 2.9-3.9 8027/3.0=32...(19) HB3 ARG 46 - HG2 LYS 47 far 0 99 0 - 3.6-6.0 HB2 ARG 46 - HG2 LYS 47 far 0 100 0 - 4.3-6.9 HB3 GLU 44 - HG2 LYS 47 far 0 73 0 - 4.5-5.1 HB2 GLU 44 - HG2 LYS 47 far 0 73 0 - 4.9-5.9 QE MET 74 - HG2 LYS 73 far 0 71 0 - 5.1-7.0 HB3 MET 74 - HG2 LYS 73 far 0 100 0 - 5.2-7.0 HB3 LYS 20 - HG3 LYS 24 far 0 55 0 - 5.3-8.7 HB2 GLU 37 - HG3 LYS 33 far 0 86 0 - 5.3-5.8 HB VAL 32 - HG3 LYS 33 far 0 65 0 - 5.4-5.6 HB3 MET 1 - HG3 LYS 53 far 0 45 0 - 6.1-7.1 HB2 MET 1 - HG3 LYS 53 far 0 55 0 - 6.3-6.9 QE MET 74 - HG2 LYS 47 far 0 71 0 - 7.0-9.0 HB3 MET 1 - HG2 LYS 53 far 0 36 0 - 7.2-8.7 HB2 MET 1 - HG2 LYS 53 far 0 45 0 - 7.6-8.5 HB3 GLU 17 - HG3 LYS 13 far 0 60 0 - 7.6-8.5 HB3 ARG 19 - HG3 LYS 24 far 0 47 0 - 8.2-11.8 HB2 GLU 17 - HG3 LYS 13 far 0 80 0 - 8.9-10.1 HB2 GLU 17 - HG3 LYS 24 far 0 67 0 - 9.4-12.1 HB3 MET 74 - HG2 LYS 47 far 0 100 0 - 9.7-12.8 HB2 GLU 35 - HG2 LYS 73 far 0 59 0 - 9.9-11.5 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 2.2-2.7 3.0=80, 2146/6772=25...(75) HB2 LYS 13 + HG3 LYS 13 OK 97 98 100 98 2.3-2.6 3.0=80, 3.0/486=34...(50) HB3 LYS 13 + HG3 LYS 13 OK 95 98 100 98 3.0-3.0 3.0=80, 3.0/486=34...(40) HB2 LYS 33 + HG3 LYS 33 OK 86 87 100 100 2.9-3.0 2.8=90, 3.0/1418=32...(41) HB3 LYS 33 + HG3 LYS 33 OK 85 86 100 99 2.7-2.7 2.8=90, 3.0/1418=32...(41) HB3 LYS 73 + HG2 LYS 73 OK 71 73 100 97 2.7-3.0 2.9=83, 4.1/7207=21...(39) HB2 LYS 73 + HG2 LYS 73 OK 70 71 100 98 2.2-2.3 2.9=83, 7206/7207=21...(61) HB3 LYS 24 + HG3 LYS 24 OK 47 48 100 98 2.5-3.0 2.9=82, 3.0/1096=25...(60) HB2 LYS 24 + HG3 LYS 24 OK 47 48 100 97 2.2-3.0 2.9=82, 3.0/1096=25...(58) HB3 ARG 46 - HG2 LYS 47 far 0 68 0 - 3.6-6.0 HB2 LYS 20 - HG3 LYS 24 far 0 54 0 - 4.1-8.1 HB2 GLU 43 - HG2 LYS 47 far 0 94 0 - 5.0-6.4 HB3 MET 74 - HG2 LYS 73 far 0 61 0 - 5.2-7.0 HB3 LYS 20 - HG3 LYS 24 far 0 86 0 - 5.3-8.7 HB VAL 32 - HG3 LYS 33 far 0 81 0 - 5.4-5.6 HB2 MET 1 - HG3 LYS 53 far 0 67 0 - 6.3-6.9 HB3 LEU 14 - HG3 LYS 13 far 0 88 0 - 6.4-7.1 HB VAL 54 - HG2 LYS 53 far 0 30 0 - 6.9-7.5 HB2 LYS 94 - HG3 LYS 24 far 0 89 0 - 7.1-10.9 HB2 MET 1 - HG2 LYS 53 far 0 55 0 - 7.6-8.5 HB VAL 54 - HG3 LYS 53 far 0 38 0 - 7.7-8.2 HB ILE 8 - HG3 LYS 33 far 0 63 0 - 7.9-8.5 HB3 ARG 19 - HG3 LYS 24 far 0 88 0 - 8.2-11.8 HB2 ARG 19 - HG3 LYS 24 far 0 59 0 - 8.3-11.4 HB2 GLU 17 - HG3 LYS 13 far 0 93 0 - 8.9-10.1 HG LEU 42 - HG2 LYS 73 far 0 81 0 - 9.3-10.6 HB2 GLU 17 - HG3 LYS 24 far 0 80 0 - 9.4-12.1 HB3 MET 74 - HG2 LYS 47 far 0 61 0 - 9.7-12.8 HG LEU 42 - HG2 LYS 47 far 0 81 0 - 9.8-11.5 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 94 - HG3 LYS 24 far 0 89 0 - 4.6-10.5 HD2 LYS 39 - HG2 LYS 73 far 0 73 0 - 4.8-9.7 HD3 LYS 39 - HG2 LYS 73 far 0 93 0 - 5.5-8.7 HG3 LYS 12 - HG3 LYS 13 far 0 79 0 - 6.0-6.9 HD3 LYS 94 - HG3 LYS 24 far 0 71 0 - 6.1-12.1 HB2 ARG 79 - HG2 LYS 53 far 0 50 0 - 6.5-7.6 HB2 ARG 79 - HG3 LYS 53 far 0 62 0 - 6.9-8.4 HB2 LEU 103 - HG2 LYS 53 far 0 33 0 - 7.0-14.3 HD2 LYS 66 - HG2 LYS 73 far 0 91 0 - 7.1-9.7 HB2 LEU 103 - HG3 LYS 53 far 0 41 0 - 7.4-13.5 HG LEU 27 - HG3 LYS 24 far 0 71 0 - 7.5-9.7 HG3 LYS 90 - HG3 LYS 24 far 0 48 0 - 7.7-10.3 HB3 ARG 79 - HG2 LYS 53 far 0 39 0 - 8.1-9.3 HB ILE 76 - HG2 LYS 53 far 0 50 0 - 8.1-9.7 HB2 ARG 30 - HG3 LYS 33 far 0 77 0 - 8.2-8.5 HG2 LYS 68 - HG2 LYS 73 far 0 92 0 - 8.3-9.8 HB3 ARG 79 - HG3 LYS 53 far 0 48 0 - 8.3-10.0 HB ILE 76 - HG2 LYS 73 far 0 89 0 - 8.4-9.4 HB3 LEU 6 - HG3 LYS 33 far 0 68 0 - 8.6-9.1 HB3 LEU 29 - HG3 LYS 24 far 0 69 0 - 9.1-11.5 HD2 LYS 68 - HG2 LYS 73 far 0 77 0 - 9.2-11.6 HG3 LYS 12 - HG3 LYS 33 far 0 65 0 - 9.4-10.9 HD3 LYS 68 - HG2 LYS 73 far 0 79 0 - 9.5-11.1 HG2 ARG 19 - HG3 LYS 13 far 0 62 0 - 9.7-13.3 HB ILE 76 - HG3 LYS 53 far 0 62 0 - 9.7-11.1 HG LEU 27 - HG3 LYS 53 far 0 59 0 - 9.8-11.0 HB2 LYS 40 - HG3 LYS 33 far 0 71 0 - 9.8-10.6 HG2 ARG 19 - HG3 LYS 33 far 0 50 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 2163 from cnoeabs.peaks (1.68, 1.49, 25.00 ppm; 2.40 A): 9 out of 43 assignments used, quality = 1.00: HD3 LYS 47 + HG2 LYS 47 OK 91 100 100 91 2.3-2.6 3.0=53, 12091/12088=9...(56) HB3 LYS 53 + HG3 LYS 53 OK 69 75 100 91 2.2-2.4 3.0=53, 2451/3.0=27...(27) HD2 LYS 73 + HG2 LYS 73 OK 56 98 65 89 2.3-3.0 3.0=54, 3298/1.8=18...(54) HD3 LYS 13 + HG3 LYS 13 OK 53 88 70 86 2.3-3.0 3.0=54, 1.8/555=9...(38) * HD2 LYS 47 + HG2 LYS 47 OK 50 100 55 92 2.3-3.0 3.0=53, 2195/1.8=17...(66) HD2 LYS 13 + HG3 LYS 13 OK 50 90 65 85 2.3-3.0 3.0=54, 1.8/555=9...(34) HD3 LYS 73 + HG2 LYS 73 OK 47 96 55 88 2.4-3.0 3.0=54, 3298/1.8=19...(50) HD2 LYS 24 + HG3 LYS 24 OK 47 82 65 88 2.3-3.0 3.0=54, 4.9/1096=8...(40) HD3 LYS 24 + HG3 LYS 24 OK 44 81 60 90 2.3-3.0 3.0=54, 1110/1.8=10...(53) HB3 LYS 53 - HG2 LYS 53 far 0 62 0 - 2.9-3.0 HB3 LEU 70 - HG2 LYS 73 far 0 67 0 - 4.4-5.5 HG LEU 70 - HG2 LYS 73 far 0 94 0 - 4.5-5.1 HD2 LYS 39 - HG2 LYS 73 far 0 84 0 - 4.8-9.7 HB2 LEU 2 - HG3 LYS 53 far 0 63 0 - 4.9-5.7 HD3 LYS 39 - HG2 LYS 73 far 0 59 0 - 5.5-8.7 HB2 LEU 2 - HG2 LYS 53 far 0 51 0 - 5.7-6.5 HB ILE 52 - HG2 LYS 53 far 0 60 0 - 5.7-6.2 HB ILE 52 - HG3 LYS 53 far 0 73 0 - 5.7-6.4 HD3 LYS 12 - HG3 LYS 13 far 0 90 0 - 5.8-7.4 HG3 LYS 20 - HG3 LYS 24 far 0 88 0 - 6.2-10.6 HG12 ILE 15 - HG3 LYS 33 far 0 83 0 - 6.3-8.1 HD2 LYS 12 - HG3 LYS 13 far 0 90 0 - 6.5-8.1 HD3 LYS 66 - HG2 LYS 73 far 0 91 0 - 6.7-8.4 HG2 PRO 86 - HG3 LYS 13 far 0 97 0 - 6.9-8.6 HD3 LYS 20 - HG3 LYS 24 far 0 88 0 - 7.0-12.0 HD2 LYS 20 - HG3 LYS 24 far 0 88 0 - 7.5-11.1 HD2 LYS 12 - HG3 LYS 33 far 0 76 0 - 7.6-10.8 HB ILE 52 - HG2 LYS 47 far 0 99 0 - 7.7-8.9 HB3 ARG 79 - HG2 LYS 53 far 0 46 0 - 8.1-9.3 HG12 ILE 15 - HG3 LYS 13 far 0 96 0 - 8.1-9.8 HD3 LYS 12 - HG3 LYS 33 far 0 76 0 - 8.1-10.5 HB ILE 76 - HG2 LYS 53 far 0 34 0 - 8.1-9.7 HG2 LYS 68 - HG2 LYS 73 far 0 61 0 - 8.3-9.8 HB3 ARG 79 - HG3 LYS 53 far 0 57 0 - 8.3-10.0 HB ILE 76 - HG2 LYS 73 far 0 65 0 - 8.4-9.4 HB3 LEU 6 - HG3 LYS 33 far 0 58 0 - 8.6-9.1 HD2 LYS 20 - HG3 LYS 13 far 0 99 0 - 8.6-10.1 HD3 LYS 20 - HG3 LYS 13 far 0 99 0 - 8.7-11.5 HD2 LYS 68 - HG2 LYS 73 far 0 81 0 - 9.2-11.6 HD3 LYS 68 - HG2 LYS 73 far 0 79 0 - 9.5-11.1 HB2 LEU 2 - HG2 LYS 47 far 0 91 0 - 9.5-10.9 HB ILE 76 - HG3 LYS 53 far 0 42 0 - 9.7-11.1 HB2 LYS 40 - HG3 LYS 33 far 0 55 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 2164 from cnoeabs.peaks (1.68, 1.49, 25.00 ppm; 2.40 A): 9 out of 42 assignments used, quality = 1.00: * HD3 LYS 47 + HG2 LYS 47 OK 91 100 100 91 2.3-2.6 3.0=53, 12091/12088=9...(56) HB3 LYS 53 + HG3 LYS 53 OK 69 75 100 91 2.2-2.4 3.0=53, 2451/3.0=27...(27) HD2 LYS 73 + HG2 LYS 73 OK 56 97 65 89 2.3-3.0 3.0=54, 3298/1.8=18...(54) HD3 LYS 13 + HG3 LYS 13 OK 54 89 70 86 2.3-3.0 3.0=54, 1.8/555=9...(38) HD2 LYS 47 + HG2 LYS 47 OK 50 100 55 92 2.3-3.0 3.0=53, 2195/1.8=17...(66) HD2 LYS 13 + HG3 LYS 13 OK 50 91 65 85 2.3-3.0 3.0=54, 1.8/555=9...(34) HD2 LYS 24 + HG3 LYS 24 OK 47 83 65 88 2.3-3.0 3.0=54, 4.9/1096=8...(40) HD3 LYS 73 + HG2 LYS 73 OK 46 96 55 88 2.4-3.0 3.0=54, 3298/1.8=19...(50) HD3 LYS 24 + HG3 LYS 24 OK 44 82 60 90 2.3-3.0 3.0=54, 1110/1.8=11...(53) HB3 LYS 53 - HG2 LYS 53 far 0 62 0 - 2.9-3.0 HB3 LEU 70 - HG2 LYS 73 far 0 69 0 - 4.4-5.5 HG LEU 70 - HG2 LYS 73 far 0 95 0 - 4.5-5.1 HD2 LYS 39 - HG2 LYS 73 far 0 82 0 - 4.8-9.7 HB2 LEU 2 - HG3 LYS 53 far 0 64 0 - 4.9-5.7 HB2 LEU 2 - HG2 LYS 53 far 0 52 0 - 5.7-6.5 HB ILE 52 - HG2 LYS 53 far 0 59 0 - 5.7-6.2 HB ILE 52 - HG3 LYS 53 far 0 72 0 - 5.7-6.4 HD3 LYS 12 - HG3 LYS 13 far 0 91 0 - 5.8-7.4 HG3 LYS 20 - HG3 LYS 24 far 0 87 0 - 6.2-10.6 HG12 ILE 15 - HG3 LYS 33 far 0 84 0 - 6.3-8.1 HD2 LYS 12 - HG3 LYS 13 far 0 91 0 - 6.5-8.1 HD3 LYS 66 - HG2 LYS 73 far 0 92 0 - 6.7-8.4 HG2 PRO 86 - HG3 LYS 13 far 0 97 0 - 6.9-8.6 HD3 LYS 20 - HG3 LYS 24 far 0 87 0 - 7.0-12.0 HD2 LYS 20 - HG3 LYS 24 far 0 88 0 - 7.5-11.1 HD2 LYS 12 - HG3 LYS 33 far 0 77 0 - 7.6-10.8 HB ILE 52 - HG2 LYS 47 far 0 99 0 - 7.7-8.9 HB3 ARG 79 - HG2 LYS 53 far 0 45 0 - 8.1-9.3 HG12 ILE 15 - HG3 LYS 13 far 0 97 0 - 8.1-9.8 HD3 LYS 12 - HG3 LYS 33 far 0 77 0 - 8.1-10.5 HB ILE 76 - HG2 LYS 53 far 0 33 0 - 8.1-9.7 HG2 LYS 68 - HG2 LYS 73 far 0 59 0 - 8.3-9.8 HB3 ARG 79 - HG3 LYS 53 far 0 55 0 - 8.3-10.0 HB ILE 76 - HG2 LYS 73 far 0 63 0 - 8.4-9.4 HB3 LEU 6 - HG3 LYS 33 far 0 57 0 - 8.6-9.1 HD2 LYS 20 - HG3 LYS 13 far 0 99 0 - 8.6-10.1 HD3 LYS 20 - HG3 LYS 13 far 0 99 0 - 8.7-11.5 HD2 LYS 68 - HG2 LYS 73 far 0 79 0 - 9.2-11.6 HD3 LYS 68 - HG2 LYS 73 far 0 77 0 - 9.5-11.1 HB2 LEU 2 - HG2 LYS 47 far 0 92 0 - 9.5-10.9 HB ILE 76 - HG3 LYS 53 far 0 41 0 - 9.7-11.1 HB2 LYS 40 - HG3 LYS 33 far 0 53 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 2165 from cnoeabs.peaks (2.97, 1.49, 25.00 ppm; 3.78 A increased from 3.36 A): 8 out of 25 assignments used, quality = 1.00: HE3 LYS 47 + HG2 LYS 47 OK 100 100 100 100 2.4-3.9 3.8=100 HE2 LYS 13 + HG3 LYS 13 OK 91 96 95 100 2.3-4.1 3.8=97, 474/1.8=26...(77) HE3 LYS 13 + HG3 LYS 13 OK 89 94 95 100 2.1-4.2 3.8=97, 474/1.8=28...(76) HE2 LYS 24 + HG3 LYS 24 OK 84 84 100 100 2.2-4.0 3.7=100 HE3 LYS 24 + HG3 LYS 24 OK 80 84 95 100 2.3-4.2 3.7=100 HE2 LYS 73 + HG2 LYS 73 OK 79 88 90 100 2.1-4.2 4.0=84, 3.0/3297=18...(110) HE3 LYS 73 + HG2 LYS 73 OK 72 81 90 100 2.2-4.1 4.0=84, 3.0/3297=18...(109) * HE2 LYS 47 + HG2 LYS 47 OK 70 100 70 100 2.3-4.2 3.8=100 HB3 ASP 11 - HG3 LYS 13 poor 18 90 20 - 4.0-5.8 HB2 ASN 51 - HG3 LYS 53 far 0 54 0 - 5.0-6.1 HE3 LYS 12 - HG3 LYS 13 far 0 98 0 - 5.4-9.4 HB2 ASN 51 - HG2 LYS 53 far 0 44 0 - 5.6-6.4 HE2 LYS 12 - HG3 LYS 13 far 0 70 0 - 5.6-9.0 HB2 PHE 45 - HG2 LYS 47 far 0 99 0 - 6.0-7.8 HG2 MET 21 - HG3 LYS 24 far 0 55 0 - 6.1-8.8 HB3 PHE 45 - HG2 LYS 47 far 0 100 0 - 6.5-8.1 HE2 LYS 12 - HG3 LYS 33 far 0 57 0 - 6.7-10.5 HE3 LYS 12 - HG3 LYS 33 far 0 86 0 - 7.4-10.5 HB3 PHE 45 - HG2 LYS 53 far 0 61 0 - 7.5-8.3 HB2 SER 9 - HG3 LYS 33 far 0 80 0 - 7.7-8.5 HB3 PHE 45 - HG3 LYS 53 far 0 74 0 - 8.1-9.1 HB2 SER 9 - HG3 LYS 13 far 0 93 0 - 8.7-10.9 HB2 PHE 45 - HG2 LYS 53 far 0 61 0 - 8.8-9.9 HE3 LYS 90 - HG3 LYS 24 far 0 48 0 - 8.9-11.4 HB2 PHE 45 - HG3 LYS 53 far 0 73 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 2166 from cnoeabs.peaks (2.97, 1.49, 25.00 ppm; 3.78 A increased from 3.36 A): 8 out of 25 assignments used, quality = 1.00: * HE3 LYS 47 + HG2 LYS 47 OK 100 100 100 100 2.4-3.9 3.8=100 HE2 LYS 13 + HG3 LYS 13 OK 91 96 95 100 2.3-4.1 3.8=97, 474/1.8=26...(77) HE3 LYS 13 + HG3 LYS 13 OK 89 94 95 100 2.1-4.2 3.8=97, 474/1.8=28...(76) HE2 LYS 24 + HG3 LYS 24 OK 84 84 100 100 2.2-4.0 3.7=100 HE3 LYS 24 + HG3 LYS 24 OK 80 84 95 100 2.3-4.2 3.7=100 HE2 LYS 73 + HG2 LYS 73 OK 79 88 90 100 2.1-4.2 4.0=84, 3.0/3297=18...(110) HE3 LYS 73 + HG2 LYS 73 OK 72 81 90 100 2.2-4.1 4.0=84, 3.0/3297=18...(109) HE2 LYS 47 + HG2 LYS 47 OK 70 100 70 100 2.3-4.2 3.8=100 HB3 ASP 11 - HG3 LYS 13 poor 18 90 20 - 4.0-5.8 HB2 ASN 51 - HG3 LYS 53 far 0 54 0 - 5.0-6.1 HE3 LYS 12 - HG3 LYS 13 far 0 98 0 - 5.4-9.4 HB2 ASN 51 - HG2 LYS 53 far 0 44 0 - 5.6-6.4 HE2 LYS 12 - HG3 LYS 13 far 0 70 0 - 5.6-9.0 HB2 PHE 45 - HG2 LYS 47 far 0 99 0 - 6.0-7.8 HG2 MET 21 - HG3 LYS 24 far 0 55 0 - 6.1-8.8 HB3 PHE 45 - HG2 LYS 47 far 0 100 0 - 6.5-8.1 HE2 LYS 12 - HG3 LYS 33 far 0 57 0 - 6.7-10.5 HE3 LYS 12 - HG3 LYS 33 far 0 86 0 - 7.4-10.5 HB3 PHE 45 - HG2 LYS 53 far 0 61 0 - 7.5-8.3 HB2 SER 9 - HG3 LYS 33 far 0 80 0 - 7.7-8.5 HB3 PHE 45 - HG3 LYS 53 far 0 74 0 - 8.1-9.1 HB2 SER 9 - HG3 LYS 13 far 0 93 0 - 8.7-10.9 HB2 PHE 45 - HG2 LYS 53 far 0 61 0 - 8.8-9.9 HE3 LYS 90 - HG3 LYS 24 far 0 48 0 - 8.9-11.4 HB2 PHE 45 - HG3 LYS 53 far 0 73 0 - 9.6-10.7 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 9 assignments used, quality = 1.00: * H GLU 48 + HG2 LYS 47 OK 100 100 100 100 3.9-5.0 6784=100, 6783/3.0=97...(11) H GLU 44 + HG2 LYS 47 OK 97 97 100 100 4.6-5.8 3.0/12088=92, ~12089=69...(17) HD22 ASN 10 - HG3 LYS 33 far 0 85 0 - 6.0-9.7 HE22 GLN 50 - HG2 LYS 47 far 0 99 0 - 8.2-14.8 HE22 GLN 50 - HG2 LYS 53 far 0 61 0 - 9.2-12.9 H GLU 48 - HG2 LYS 53 far 0 63 0 - 9.4-10.2 HE22 GLN 50 - HG3 LYS 53 far 0 74 0 - 9.6-13.7 HD22 ASN 10 - HG3 LYS 13 far 0 98 0 - 9.7-12.9 H GLU 48 - HG3 LYS 53 far 0 76 0 - 9.7-10.4 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 0 40 0 - 4.3-5.8 HE22 GLN 72 - HG3 LYS 73 far 0 48 0 - 5.2-9.1 HE ARG 46 - HG3 LYS 47 far 0 100 0 - 5.8-8.8 HE ARG 46 - HG3 LYS 73 far 0 73 0 - 7.3-12.3 HE ARG 19 - HG3 LYS 12 far 0 52 0 - 7.6-12.5 H ILE 52 - HG3 LYS 47 far 0 90 0 - 9.9-11.1 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 2.5-3.9 3.9=91, 2.9/6773=65...(65) HA LYS 73 + HG3 LYS 73 OK 52 52 100 100 2.2-3.6 4.1=79, 3.0/7208=51...(51) HA GLN 72 - HG3 LYS 73 far 0 70 0 - 5.3-5.9 HA LYS 13 - HG3 LYS 12 far 0 59 0 - 6.5-6.7 HA GLU 62 - HG2 LYS 68 far 0 50 0 - 7.1-7.3 HA GLN 72 - HG2 LYS 68 far 0 60 0 - 8.2-8.6 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 16 assignments used, quality = 1.00: * HB2 LYS 47 + HG3 LYS 47 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 73 + HG3 LYS 73 OK 70 70 100 100 2.7-3.0 2.9=100 HB3 LYS 73 + HG3 LYS 73 OK 69 69 100 100 2.7-2.9 2.9=100 HB3 MET 74 - HG3 LYS 73 far 11 72 15 - 3.5-7.3 HB3 ARG 46 - HG3 LYS 47 far 0 99 0 - 3.7-5.6 QE MET 74 - HG3 LYS 73 far 0 45 0 - 4.3-7.9 HB3 GLU 44 - HG3 LYS 47 far 0 73 0 - 4.3-6.5 HB2 ARG 46 - HG3 LYS 47 far 0 100 0 - 4.4-6.2 HB2 GLU 44 - HG3 LYS 47 far 0 73 0 - 5.0-7.2 QE MET 74 - HG3 LYS 47 far 0 71 0 - 7.4-8.9 HB2 LYS 73 - HG2 LYS 68 far 0 60 0 - 8.8-10.1 HB2 ARG 46 - HG3 LYS 73 far 0 72 0 - 8.9-13.4 HB3 ARG 19 - HG3 LYS 12 far 0 30 0 - 9.4-10.6 QE MET 74 - HG2 LYS 68 far 0 38 0 - 9.7-10.9 HB3 MET 74 - HG3 LYS 47 far 0 100 0 - 9.9-12.0 HB3 ARG 46 - HG3 LYS 73 far 0 71 0 - 9.9-13.5 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 15 assignments used, quality = 1.00: * HB3 LYS 47 + HG3 LYS 47 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 73 + HG3 LYS 73 OK 46 46 100 100 2.7-2.9 2.9=100 HB2 LYS 73 + HG3 LYS 73 OK 45 45 100 100 2.7-3.0 2.9=100 HB3 MET 74 - HG3 LYS 73 far 0 38 0 - 3.5-7.3 HB3 ARG 46 - HG3 LYS 47 far 0 68 0 - 3.7-5.6 HB2 GLU 43 - HG3 LYS 47 far 0 94 0 - 5.2-6.2 HB2 LYS 13 - HG3 LYS 12 far 0 61 0 - 7.3-7.9 HB3 LYS 13 - HG3 LYS 12 far 0 60 0 - 8.4-8.6 HG LEU 42 - HG3 LYS 73 far 0 52 0 - 8.6-11.7 HB3 LEU 14 - HG3 LYS 12 far 0 50 0 - 8.6-9.0 HB2 LYS 73 - HG2 LYS 68 far 0 38 0 - 8.8-10.1 HB3 ARG 19 - HG3 LYS 12 far 0 62 0 - 9.4-10.6 HB3 MET 74 - HG3 LYS 47 far 0 61 0 - 9.9-12.0 HB3 ARG 46 - HG3 LYS 73 far 0 42 0 - 9.9-13.5 HG LEU 42 - HG3 LYS 47 far 0 81 0 - 10.0-11.8 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 17 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 0 60 0 - 3.3-3.8 HB3 LEU 64 - HG2 LYS 68 far 0 63 0 - 5.9-6.2 HG3 LYS 13 - HG3 LYS 12 far 0 62 0 - 6.0-6.9 HG2 LYS 66 - HG2 LYS 68 far 0 63 0 - 6.4-6.8 HG3 LYS 66 - HG2 LYS 68 far 0 63 0 - 7.7-8.2 HG LEU 38 - HG2 LYS 68 far 0 39 0 - 8.1-8.8 HG2 LYS 73 - HG2 LYS 68 far 0 63 0 - 8.3-9.8 HG12 ILE 56 - HG2 LYS 68 far 0 29 0 - 8.5-9.0 HD2 LYS 82 - HG2 LYS 68 far 0 39 0 - 8.5-9.7 HG13 ILE 52 - HG3 LYS 47 far 0 70 0 - 8.9-10.6 HB2 LEU 38 - HG3 LYS 73 far 0 41 0 - 8.9-13.0 HG3 LYS 33 - HG3 LYS 12 far 0 58 0 - 9.4-10.9 HB2 LEU 38 - HG2 LYS 68 far 0 34 0 - 9.7-10.6 HG LEU 38 - HG3 LYS 73 far 0 46 0 - 9.7-12.1 HB2 LEU 14 - HG3 LYS 12 far 0 40 0 - 9.7-10.2 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; 2.70 A increased from 2.40 A): 8 out of 29 assignments used, quality = 1.00: * HD2 LYS 47 + HG3 LYS 47 OK 99 100 100 99 2.4-2.7 3.0=75, 6774/6773=10...(107) HD3 LYS 73 + HG3 LYS 73 OK 65 67 100 97 2.3-3.0 3.0=77, 1.8/3298=20...(80) HD2 LYS 73 + HG3 LYS 73 OK 63 68 95 97 2.2-3.0 3.0=77, 1.8/3298=21...(78) HD3 LYS 47 + HG3 LYS 47 OK 59 100 60 98 2.4-3.0 3.0=75, 1.8/2195=20...(86) HD2 LYS 12 + HG3 LYS 12 OK 41 52 80 97 2.3-3.0 3.0=75, 3.0/464=22...(41) HD2 LYS 68 + HG2 LYS 68 OK 34 44 80 98 2.3-3.0 3.0=76, 5.3/2990=11...(67) HD3 LYS 12 + HG3 LYS 12 OK 25 52 50 97 2.5-3.0 3.0=75, 3.0/464=22...(41) HD3 LYS 68 + HG2 LYS 68 OK 25 42 60 98 2.4-3.0 3.0=76, 5.3/2990=11...(66) HB3 LEU 70 - HG3 LYS 73 far 0 42 0 - 4.3-7.0 HD2 LYS 39 - HG3 LYS 73 far 0 55 0 - 5.0-11.0 HD3 LYS 39 - HG3 LYS 73 far 0 36 0 - 5.3-10.1 HG LEU 70 - HG3 LYS 73 far 0 64 0 - 5.4-6.8 HD3 LYS 66 - HG2 LYS 68 far 0 51 0 - 6.2-6.9 HG LEU 70 - HG2 LYS 68 far 0 54 0 - 6.9-7.7 HD2 LYS 13 - HG3 LYS 12 far 0 52 0 - 7.0-9.4 HD3 LYS 13 - HG3 LYS 12 far 0 50 0 - 7.0-9.7 HB ILE 76 - HG3 LYS 73 far 0 41 0 - 7.0-9.6 HG12 ILE 15 - HG3 LYS 12 far 0 58 0 - 7.3-8.1 HD3 LYS 66 - HG3 LYS 73 far 0 61 0 - 7.9-9.7 HB ILE 52 - HG3 LYS 47 far 0 99 0 - 7.9-9.3 HB3 LEU 70 - HG2 LYS 68 far 0 35 0 - 8.2-8.9 HG2 LYS 68 - HG3 LYS 73 far 0 38 0 - 8.6-10.0 HD3 LYS 68 - HG3 LYS 73 far 0 51 0 - 9.0-11.5 HD2 LYS 68 - HG3 LYS 73 far 0 52 0 - 9.0-11.9 HB3 ARG 79 - HG2 LYS 68 far 0 46 0 - 9.4-11.1 HD2 LYS 73 - HG2 LYS 68 far 0 58 0 - 9.6-12.1 HD3 LYS 73 - HG2 LYS 68 far 0 57 0 - 9.6-12.4 HB2 LEU 2 - HG3 LYS 47 far 0 91 0 - 9.8-12.0 HD2 LYS 20 - HG3 LYS 12 far 0 63 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 2175 from cnoeabs.peaks (1.68, 1.62, 25.00 ppm; 2.70 A increased from 2.40 A): 8 out of 28 assignments used, quality = 1.00: HD2 LYS 47 + HG3 LYS 47 OK 99 100 100 99 2.4-2.7 3.0=75, 6774/6773=10...(107) HD3 LYS 73 + HG3 LYS 73 OK 64 66 100 97 2.3-3.0 3.0=77, 1.8/3298=20...(80) HD2 LYS 73 + HG3 LYS 73 OK 62 68 95 97 2.2-3.0 3.0=77, 1.8/3298=21...(78) * HD3 LYS 47 + HG3 LYS 47 OK 59 100 60 98 2.4-3.0 3.0=75, 1.8/2195=20...(86) HD2 LYS 12 + HG3 LYS 12 OK 41 53 80 97 2.3-3.0 3.0=75, 3.0/464=22...(41) HD2 LYS 68 + HG2 LYS 68 OK 33 42 80 98 2.3-3.0 3.0=76, 5.3/2990=11...(67) HD3 LYS 12 + HG3 LYS 12 OK 26 53 50 97 2.5-3.0 3.0=75, 3.0/464=22...(41) HD3 LYS 68 + HG2 LYS 68 OK 24 41 60 98 2.4-3.0 3.0=76, 5.3/2990=11...(66) HB3 LEU 70 - HG3 LYS 73 far 0 44 0 - 4.3-7.0 HD2 LYS 39 - HG3 LYS 73 far 0 53 0 - 5.0-11.0 HG LEU 70 - HG3 LYS 73 far 0 65 0 - 5.4-6.8 HD3 LYS 66 - HG2 LYS 68 far 0 52 0 - 6.2-6.9 HG LEU 70 - HG2 LYS 68 far 0 55 0 - 6.9-7.7 HD2 LYS 13 - HG3 LYS 12 far 0 53 0 - 7.0-9.4 HD3 LYS 13 - HG3 LYS 12 far 0 51 0 - 7.0-9.7 HB ILE 76 - HG3 LYS 73 far 0 39 0 - 7.0-9.6 HG12 ILE 15 - HG3 LYS 12 far 0 59 0 - 7.3-8.1 HD3 LYS 66 - HG3 LYS 73 far 0 62 0 - 7.9-9.7 HB ILE 52 - HG3 LYS 47 far 0 99 0 - 7.9-9.3 HB3 LEU 70 - HG2 LYS 68 far 0 36 0 - 8.2-8.9 HG2 LYS 68 - HG3 LYS 73 far 0 36 0 - 8.6-10.0 HD3 LYS 68 - HG3 LYS 73 far 0 49 0 - 9.0-11.5 HD2 LYS 68 - HG3 LYS 73 far 0 51 0 - 9.0-11.9 HB3 ARG 79 - HG2 LYS 68 far 0 45 0 - 9.4-11.1 HD2 LYS 73 - HG2 LYS 68 far 0 58 0 - 9.6-12.1 HD3 LYS 73 - HG2 LYS 68 far 0 56 0 - 9.6-12.4 HB2 LEU 2 - HG3 LYS 47 far 0 92 0 - 9.8-12.0 HD2 LYS 20 - HG3 LYS 12 far 0 62 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 2176 from cnoeabs.peaks (2.97, 1.62, 25.00 ppm; 3.62 A): 6 out of 14 assignments used, quality = 1.00: * HE2 LYS 47 + HG3 LYS 47 OK 100 100 100 100 2.5-3.9 3.8=89, 3.0/2195=22...(135) HE3 LYS 47 + HG3 LYS 47 OK 95 100 95 100 2.2-4.2 3.8=89, 2154/3.0=22...(135) HE3 LYS 12 + HG3 LYS 12 OK 60 61 100 100 2.2-3.9 4.0=76, 1.8/464=53...(43) HE2 LYS 73 + HG3 LYS 73 OK 52 58 90 100 2.1-4.2 4.0=74, 3.0/3298=23...(114) HE3 LYS 73 + HG3 LYS 73 OK 44 52 85 100 2.1-4.2 4.0=74, 3.0/3298=23...(115) HE2 LYS 12 + HG3 LYS 12 OK 37 38 100 99 2.2-3.5 4.0=76, 463/1.8=45...(65) HE3 LYS 13 - HG3 LYS 12 far 0 56 0 - 6.0-10.1 HB2 PHE 45 - HG3 LYS 47 far 0 99 0 - 6.0-8.1 HB3 PHE 45 - HG3 LYS 47 far 0 100 0 - 6.4-8.6 HB3 ASP 11 - HG3 LYS 12 far 0 52 0 - 7.0-7.7 HE2 LYS 13 - HG3 LYS 12 far 0 58 0 - 7.3-10.3 HB2 SER 9 - HG3 LYS 12 far 0 55 0 - 8.7-10.7 HE2 LYS 73 - HG2 LYS 68 far 0 49 0 - 8.9-13.2 HE3 LYS 73 - HG2 LYS 68 far 0 44 0 - 9.2-12.3 Violated in 0 structures by 0.00 A. Peak 2177 from cnoeabs.peaks (2.97, 1.62, 25.00 ppm; 3.62 A): 6 out of 14 assignments used, quality = 1.00: HE2 LYS 47 + HG3 LYS 47 OK 100 100 100 100 2.5-3.9 3.8=89, 3.0/2195=22...(135) * HE3 LYS 47 + HG3 LYS 47 OK 95 100 95 100 2.2-4.2 3.8=89, 2154/3.0=22...(135) HE3 LYS 12 + HG3 LYS 12 OK 60 61 100 100 2.2-3.9 4.0=76, 1.8/464=53...(43) HE2 LYS 73 + HG3 LYS 73 OK 52 58 90 100 2.1-4.2 4.0=74, 3.0/3298=23...(114) HE3 LYS 73 + HG3 LYS 73 OK 44 52 85 100 2.1-4.2 4.0=74, 3.0/3298=23...(115) HE2 LYS 12 + HG3 LYS 12 OK 37 38 100 99 2.2-3.5 4.0=76, 463/1.8=45...(65) HE3 LYS 13 - HG3 LYS 12 far 0 56 0 - 6.0-10.1 HB2 PHE 45 - HG3 LYS 47 far 0 99 0 - 6.0-8.1 HB3 PHE 45 - HG3 LYS 47 far 0 100 0 - 6.4-8.6 HB3 ASP 11 - HG3 LYS 12 far 0 52 0 - 7.0-7.7 HE2 LYS 13 - HG3 LYS 12 far 0 58 0 - 7.3-10.3 HB2 SER 9 - HG3 LYS 12 far 0 55 0 - 8.7-10.7 HE2 LYS 73 - HG2 LYS 68 far 0 49 0 - 8.9-13.2 HE3 LYS 73 - HG2 LYS 68 far 0 44 0 - 9.2-12.3 Violated in 0 structures by 0.00 A. Peak 2178 from cnoeabs.peaks (7.62, 1.62, 25.00 ppm; 5.09 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 48 + HG3 LYS 47 OK 100 100 100 100 3.9-5.1 6785=98, 6780/6773=92...(10) H GLU 44 + HG3 LYS 47 OK 24 97 25 100 4.7-6.5 3.0/12089=81, ~12088=61...(12) HE22 GLN 50 - HG3 LYS 47 far 0 99 0 - 7.7-15.0 HD22 ASN 10 - HG3 LYS 12 far 0 60 0 - 8.5-11.5 H LYS 40 - HG3 LYS 73 far 0 65 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 2179 from cnoeabs.peaks (7.47, 1.68, 29.28 ppm; 3.42 A): 1 out of 25 assignments used, quality = 1.00: H ARG 91 + HB3 ARG 91 OK 100 100 100 100 2.3-2.5 7443=100, 7442/1.8=82...(17) ! H LYS 47 - HD2 LYS 47 far 15 100 15 - 3.2-4.7 H LYS 47 - HD3 LYS 47 far 5 100 5 - 3.7-4.5 HE22 GLN 72 - HD3 LYS 68 far 4 29 15 - 3.2-5.9 HE22 GLN 72 - HD2 LYS 68 far 2 30 5 - 3.3-6.1 H ARG 91 - HD3 LYS 90 far 0 83 0 - 4.6-5.4 HE ARG 19 - HG12 ILE 15 far 0 77 0 - 4.6-8.8 HE ARG 19 - HD3 LYS 12 far 0 61 0 - 5.0-12.7 HE ARG 46 - HD2 LYS 47 far 0 100 0 - 5.1-11.0 HE ARG 19 - HD3 LYS 20 far 0 88 0 - 5.2-10.3 HE ARG 46 - HD3 LYS 47 far 0 100 0 - 5.4-11.1 HE ARG 19 - HD2 LYS 20 far 0 89 0 - 5.8-9.4 HE ARG 19 - HD2 LYS 12 far 0 61 0 - 6.3-11.6 HZ2 TRP 92 - HB3 ARG 91 far 0 93 0 - 6.4-7.4 HD22 ASN 26 - HD3 LYS 24 far 0 50 0 - 6.5-11.0 HD22 ASN 26 - HD2 LYS 24 far 0 51 0 - 7.1-10.6 HE ARG 46 - HD2 LYS 73 far 0 54 0 - 7.3-13.9 HE ARG 46 - HD3 LYS 73 far 0 52 0 - 7.4-13.2 HE22 GLN 72 - HD2 LYS 73 far 0 34 0 - 7.5-11.3 HE22 GLN 72 - HD3 LYS 73 far 0 32 0 - 7.7-11.1 HE ARG 46 - HD2 LYS 39 far 0 66 0 - 8.6-12.5 HE ARG 19 - HD2 LYS 24 far 0 43 0 - 9.3-15.3 HE ARG 19 - HD3 LYS 24 far 0 42 0 - 9.6-16.4 HE ARG 19 - HD3 LYS 13 far 0 39 0 - 9.6-16.1 H ARG 91 - HD3 LYS 24 far 0 50 0 - 9.7-13.2 Violated in 0 structures by 0.00 A. Peak 2180 from cnoeabs.peaks (4.14, 1.68, 29.28 ppm; 5.36 A): 6 out of 25 assignments used, quality = 1.00: * HA LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.2-5.0 5.1=100 HA LYS 47 + HD3 LYS 47 OK 100 100 100 100 3.8-4.9 5.1=100 HA LYS 13 + HD2 LYS 13 OK 47 47 100 100 2.0-4.7 486/3.0=95, 5.5=94...(61) HA LYS 13 + HD3 LYS 13 OK 44 44 100 100 2.1-4.4 486/3.0=95, 5.5=94...(61) HA LYS 73 + HD2 LYS 73 OK 37 37 100 100 3.8-5.0 5.1=100 HA LYS 73 + HD3 LYS 73 OK 35 35 100 100 3.1-4.7 5.1=100 HA GLU 23 - HD2 LYS 24 poor 13 51 25 - 4.8-8.4 HA LYS 13 - HD3 LYS 12 far 0 69 0 - 5.8-7.0 HA GLU 23 - HD3 LYS 24 far 0 50 0 - 6.1-9.0 HA LYS 13 - HD2 LYS 12 far 0 69 0 - 6.1-7.9 HA LYS 13 - HD2 LYS 20 far 0 97 0 - 6.2-7.4 HA LYS 13 - HG12 ILE 15 far 0 85 0 - 6.5-8.1 HA LYS 13 - HD3 LYS 20 far 0 96 0 - 6.7-8.8 HA GLU 62 - HD2 LYS 68 far 0 38 0 - 7.1-9.5 HA GLN 72 - HD2 LYS 73 far 0 51 0 - 7.4-8.3 HA GLU 62 - HD3 LYS 68 far 0 36 0 - 7.4-9.7 HA GLN 72 - HD3 LYS 73 far 0 49 0 - 7.5-8.1 HA GLN 72 - HD3 LYS 68 far 0 43 0 - 7.5-9.5 HB2 SER 59 - HG12 ILE 15 far 0 82 0 - 7.7-10.4 HA GLN 72 - HD2 LYS 68 far 0 46 0 - 7.8-9.8 HA GLU 23 - HD3 LYS 20 far 0 98 0 - 7.9-10.7 HA LYS 13 - HD3 LYS 90 far 0 79 0 - 8.1-10.7 HA LYS 73 - HD2 LYS 39 far 0 46 0 - 8.2-11.8 HA GLU 23 - HD2 LYS 20 far 0 99 0 - 9.6-10.7 HA GLN 72 - HD2 LYS 39 far 0 63 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 2181 from cnoeabs.peaks (1.97, 1.68, 29.28 ppm; 3.19 A): 14 out of 84 assignments used, quality = 1.00: HB2 LYS 47 + HD3 LYS 47 OK 70 100 70 99 2.7-3.7 3.9=52, 1.8/2153=16...(99) HB2 GLU 17 + HD3 LYS 90 OK 55 61 95 94 2.0-4.4 1.8/10433=51...(24) HB2 LYS 24 + HD2 LYS 24 OK 48 51 95 99 2.1-3.7 3.6=72, 1060/8564=15...(97) HB3 LYS 20 + HD2 LYS 20 OK 46 67 70 98 2.4-4.2 3.5=74, ~848=16, ~883=16...(49) HB3 LYS 73 + HD2 LYS 73 OK 45 51 90 99 2.1-3.5 3.6=70, 3244/1.8=12...(106) * HB2 LYS 47 + HD2 LYS 47 OK 45 100 45 100 2.2-3.8 3.9=52, 3.0/2175=14...(106) HB3 LYS 20 + HD3 LYS 20 OK 44 66 70 97 2.0-3.9 3.5=74, ~848=16, ~883=16...(43) HB3 LYS 73 + HD3 LYS 73 OK 43 48 90 99 2.0-3.6 3.6=70, 3.0/3233=13...(102) HB2 LYS 24 + HD3 LYS 24 OK 39 50 80 99 2.1-4.2 3.6=72, ~1096=15...(99) HB3 LYS 24 + HD2 LYS 24 OK 35 51 70 99 2.3-3.9 3.6=72, ~1096=15...(92) HB3 LYS 24 + HD3 LYS 24 OK 30 50 60 99 2.2-4.1 3.6=72, ~1096=15...(94) HB2 LYS 73 + HD3 LYS 73 OK 24 49 50 100 2.9-4.0 3.6=70, 3.0/3233=13...(117) HB3 GLU 17 + HD3 LYS 90 OK 21 44 50 93 2.8-6.0 10433=30, ~12027=19...(37) HB2 LYS 73 + HD2 LYS 73 OK 20 51 40 100 3.0-4.2 3.6=70, 7205/6.4=12...(117) QE MET 74 - HD2 LYS 39 poor 10 40 25 - 2.9-4.6 HB3 ARG 19 - HD3 LYS 20 far 6 56 10 - 2.5-6.4 HB3 ARG 46 - HD2 LYS 47 far 5 99 5 - 3.5-7.4 HB3 LYS 20 - HD3 LYS 24 far 0 28 0 - 3.5-9.0 HB3 ARG 19 - HD2 LYS 20 far 0 57 0 - 3.5-5.5 HB3 ARG 46 - HD3 LYS 47 far 0 99 0 - 3.9-7.2 HB3 GLU 44 - HD2 LYS 47 far 0 73 0 - 3.9-7.1 HB2 ARG 46 - HD2 LYS 47 far 0 100 0 - 3.9-7.8 HB2 GLU 17 - HD3 LYS 20 far 0 78 0 - 3.9-7.4 HB3 GLU 44 - HD3 LYS 47 far 0 73 0 - 4.1-5.9 QE MET 74 - HD2 LYS 73 far 0 32 0 - 4.2-8.4 HB3 LYS 20 - HD2 LYS 24 far 0 29 0 - 4.4-7.6 HB3 MET 74 - HD2 LYS 73 far 0 53 0 - 4.4-8.7 HB2 GLU 17 - HD2 LYS 20 far 0 80 0 - 4.6-7.1 HB2 ARG 46 - HD3 LYS 47 far 0 100 0 - 4.7-8.1 HB3 GLU 17 - HD2 LYS 20 far 0 59 0 - 4.8-6.9 HB2 GLU 44 - HD3 LYS 47 far 0 73 0 - 4.8-6.7 HB3 GLU 17 - HD3 LYS 20 far 0 58 0 - 4.9-7.5 HB2 GLU 44 - HD2 LYS 47 far 0 73 0 - 4.9-7.6 HB3 MET 74 - HD3 LYS 73 far 0 51 0 - 5.1-8.8 HB2 LYS 73 - HD2 LYS 39 far 0 63 0 - 5.3-10.6 QE MET 74 - HD3 LYS 73 far 0 30 0 - 5.6-8.5 HG3 GLU 88 - HB3 ARG 91 far 0 85 0 - 6.1-6.8 HB3 LYS 73 - HD2 LYS 39 far 0 62 0 - 6.1-10.4 HB2 GLU 35 - HD2 LYS 39 far 0 32 0 - 6.2-7.4 HB3 LYS 20 - HD3 LYS 90 far 0 51 0 - 6.2-8.9 HB3 MET 74 - HD2 LYS 39 far 0 65 0 - 6.2-8.8 HB3 GLU 17 - HD2 LYS 13 far 0 25 0 - 6.2-9.2 HB3 GLU 17 - HD3 LYS 13 far 0 23 0 - 6.6-8.9 HB3 ARG 19 - HG12 ILE 15 far 0 47 0 - 6.9-7.9 HB3 ARG 19 - HD3 LYS 12 far 0 36 0 - 7.0-11.6 HB2 GLU 17 - HD2 LYS 13 far 0 35 0 - 7.0-10.2 HB3 GLU 17 - HG12 ILE 15 far 0 48 0 - 7.1-8.1 HB2 GLU 17 - HD3 LYS 13 far 0 33 0 - 7.2-10.2 HG3 GLU 88 - HD3 LYS 90 far 0 64 0 - 7.3-8.9 HB2 LYS 24 - HD3 LYS 20 far 0 98 0 - 7.3-9.9 QE MET 74 - HD3 LYS 47 far 0 71 0 - 7.4-9.6 HB VAL 32 - HG12 ILE 15 far 0 65 0 - 7.6-9.2 QE MET 74 - HD2 LYS 47 far 0 71 0 - 7.7-10.3 HB3 ARG 19 - HD2 LYS 12 far 0 36 0 - 7.7-10.7 HB3 ARG 19 - HD3 LYS 24 far 0 24 0 - 8.0-12.6 HB2 LYS 24 - HD2 LYS 20 far 0 98 0 - 8.1-9.8 HB3 ARG 19 - HD2 LYS 24 far 0 24 0 - 8.1-11.4 HB2 GLU 17 - HD3 LYS 24 far 0 35 0 - 8.5-11.6 HB3 ARG 19 - HD3 LYS 90 far 0 43 0 - 8.6-10.9 HB2 GLU 17 - HB3 ARG 91 far 0 82 0 - 8.7-9.5 HB2 GLU 17 - HD2 LYS 24 far 0 36 0 - 8.8-11.8 HB2 GLU 17 - HG12 ILE 15 far 0 67 0 - 8.8-9.6 HB2 GLU 37 - HD2 LYS 39 far 0 64 0 - 8.9-9.9 HB3 ARG 19 - HD3 LYS 13 far 0 22 0 - 8.9-12.8 HB3 GLU 17 - HD3 LYS 12 far 0 37 0 - 9.0-11.5 HB3 LYS 24 - HD3 LYS 20 far 0 98 0 - 9.0-11.2 HB2 ARG 46 - HD2 LYS 73 far 0 53 0 - 9.0-14.8 HB3 LYS 24 - HD2 LYS 20 far 0 98 0 - 9.1-11.3 HB3 LYS 20 - HD3 LYS 13 far 0 26 0 - 9.1-12.9 HB3 LYS 20 - HD2 LYS 13 far 0 28 0 - 9.2-14.4 HB2 ARG 46 - HD2 LYS 39 far 0 65 0 - 9.2-11.9 HB3 ARG 19 - HD2 LYS 13 far 0 24 0 - 9.2-12.9 HB2 LYS 24 - HD3 LYS 90 far 0 82 0 - 9.4-10.6 HB2 LYS 73 - HD3 LYS 68 far 0 43 0 - 9.5-12.0 HB3 GLU 17 - HD2 LYS 12 far 0 37 0 - 9.6-11.6 HB3 GLU 17 - HB3 ARG 91 far 0 61 0 - 9.6-10.2 HB3 MET 74 - HD2 LYS 47 far 0 100 0 - 9.7-13.9 HB3 GLU 17 - HD3 LYS 24 far 0 25 0 - 9.7-13.0 HB3 ARG 46 - HD2 LYS 39 far 0 64 0 - 9.8-11.3 HB3 ARG 46 - HD2 LYS 73 far 0 52 0 - 9.9-14.7 HB2 ARG 46 - HD3 LYS 73 far 0 51 0 - 9.9-14.7 HB2 LYS 73 - HD2 LYS 68 far 0 46 0 - 9.9-12.0 HB3 GLU 17 - HD2 LYS 24 far 0 25 0 - 9.9-12.8 HB3 MET 74 - HD3 LYS 47 far 0 100 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 2182 from cnoeabs.peaks (1.92, 1.68, 29.28 ppm; 3.09 A): 9 out of 111 assignments used, quality = 1.00: HB3 LYS 47 + HD3 LYS 47 OK 70 100 70 99 2.4-4.2 3.9=48, 2154/3.0=15...(110) HB2 GLU 17 + HD3 LYS 90 OK 65 74 95 93 2.0-4.4 1.8/10433=48...(23) HB3 LYS 20 + HD3 LYS 20 OK 65 96 70 97 2.0-3.9 3.5=67, ~848=15, ~883=15...(43) HB3 LYS 20 + HD2 LYS 20 OK 62 97 65 97 2.4-4.2 3.5=67, ~848=15, ~883=15...(49) HB2 LYS 20 + HD3 LYS 20 OK 43 64 70 96 2.1-3.9 3.5=67, ~848=15, ~883=15...(45) HB3 LYS 13 + HD2 LYS 13 OK 43 48 90 99 2.1-3.6 3.6=64, 502/1.8=16...(80) HB3 LYS 13 + HD3 LYS 13 OK 29 45 65 99 2.2-3.7 3.6=64, 501/1.8=16...(79) HB3 LYS 73 + HD3 LYS 73 OK 25 31 80 99 2.0-3.6 3.6=64, 3.0/3233=12...(101) HB2 LYS 24 + HD2 LYS 24 OK 21 25 85 99 2.1-3.7 3.6=65, ~1096=14...(97) ! HB3 LYS 47 - HD2 LYS 47 poor 20 100 20 100 2.7-3.7 3.9=48, 2154/3.0=15...(114) HB3 LYS 73 - HD2 LYS 73 poor 16 33 50 - 2.1-3.5 HB3 LYS 24 - HD2 LYS 24 poor 16 25 65 - 2.3-3.9 HB2 LYS 24 - HD3 LYS 24 poor 16 25 65 - 2.1-4.2 HB3 LYS 24 - HD3 LYS 24 poor 15 25 60 - 2.2-4.1 HB2 LYS 13 - HD2 LYS 13 poor 15 49 30 - 2.5-4.1 HB2 LYS 73 - HD3 LYS 73 poor 12 30 40 - 2.9-4.0 HB2 LYS 13 - HD3 LYS 13 poor 11 45 25 - 2.7-4.2 HB3 ARG 19 - HD3 LYS 20 far 10 98 10 - 2.5-6.4 HB2 LYS 20 - HD2 LYS 20 far 10 65 15 - 2.4-4.0 HB2 LYS 73 - HD2 LYS 73 poor 10 32 30 - 3.0-4.2 HB3 LEU 14 - HG12 ILE 15 far 4 74 5 - 3.2-5.5 HB2 LYS 20 - HD3 LYS 24 far 1 28 5 - 3.2-9.6 HB2 ARG 19 - HD3 LYS 20 far 0 69 0 - 3.5-7.3 HB3 ARG 46 - HD2 LYS 47 far 0 68 0 - 3.5-7.4 HB3 LYS 20 - HD3 LYS 24 far 0 48 0 - 3.5-9.0 HB3 ARG 19 - HD2 LYS 20 far 0 99 0 - 3.5-5.5 HB2 LYS 20 - HD2 LYS 24 far 0 28 0 - 3.7-8.3 HB3 ARG 46 - HD3 LYS 47 far 0 67 0 - 3.9-7.2 HB2 GLU 17 - HD3 LYS 20 far 0 91 0 - 3.9-7.4 HB3 LYS 20 - HD2 LYS 24 far 0 49 0 - 4.4-7.6 HB3 MET 74 - HD2 LYS 73 far 0 27 0 - 4.4-8.7 HB2 ARG 19 - HD2 LYS 20 far 0 71 0 - 4.5-6.7 HB2 GLU 17 - HD2 LYS 20 far 0 93 0 - 4.6-7.1 HB2 GLU 43 - HD3 LYS 47 far 0 94 0 - 4.6-7.3 HB2 GLU 43 - HD2 LYS 47 far 0 94 0 - 5.0-7.5 HB3 MET 74 - HD3 LYS 73 far 0 25 0 - 5.1-8.8 HB2 LYS 73 - HD2 LYS 39 far 0 40 0 - 5.3-10.6 HB2 LYS 94 - HB3 ARG 91 far 0 100 0 - 5.6-7.8 HG3 GLU 88 - HB3 ARG 91 far 0 93 0 - 6.1-6.8 HB3 LYS 73 - HD2 LYS 39 far 0 41 0 - 6.1-10.4 HB3 LYS 20 - HD3 LYS 90 far 0 80 0 - 6.2-8.9 HB3 MET 74 - HD2 LYS 39 far 0 34 0 - 6.2-8.8 HB2 LYS 94 - HD3 LYS 24 far 0 50 0 - 6.4-10.7 HB2 LYS 13 - HD3 LYS 12 far 0 70 0 - 6.6-8.0 HB2 LYS 94 - HD2 LYS 24 far 0 52 0 - 6.7-11.3 HB2 LYS 13 - HG12 ILE 15 far 0 87 0 - 6.7-8.5 HB3 LEU 14 - HD3 LYS 12 far 0 59 0 - 6.7-8.5 HB3 LEU 14 - HD2 LYS 12 far 0 59 0 - 6.8-9.3 HB2 LYS 13 - HD2 LYS 12 far 0 70 0 - 6.8-8.8 HB3 LEU 14 - HD2 LYS 13 far 0 40 0 - 6.9-8.6 HB3 ARG 19 - HG12 ILE 15 far 0 88 0 - 6.9-7.9 HB3 ARG 19 - HD3 LYS 12 far 0 71 0 - 7.0-11.6 HB2 GLU 17 - HD2 LYS 13 far 0 44 0 - 7.0-10.2 HG LEU 42 - HD2 LYS 39 far 0 46 0 - 7.1-8.3 HB ILE 8 - HG12 ILE 15 far 0 64 0 - 7.1-8.1 HB2 GLU 17 - HD3 LYS 13 far 0 41 0 - 7.2-10.2 HB3 LYS 13 - HG12 ILE 15 far 0 86 0 - 7.3-9.3 HG3 GLU 88 - HD3 LYS 90 far 0 72 0 - 7.3-8.9 HB3 LEU 14 - HD3 LYS 13 far 0 37 0 - 7.3-8.7 HB2 LYS 24 - HD3 LYS 20 far 0 58 0 - 7.3-9.9 HB3 LYS 13 - HD3 LYS 90 far 0 80 0 - 7.5-10.1 HB2 GLU 43 - HD2 LYS 39 far 0 58 0 - 7.5-9.4 HB VAL 32 - HG12 ILE 15 far 0 81 0 - 7.6-9.2 HB3 ARG 19 - HD2 LYS 12 far 0 71 0 - 7.7-10.7 HB2 LYS 20 - HD3 LYS 90 far 0 49 0 - 7.8-9.0 HB3 LYS 13 - HD2 LYS 20 far 0 97 0 - 7.8-9.2 HB2 ARG 19 - HD3 LYS 24 far 0 30 0 - 7.8-12.5 HB2 ARG 19 - HD2 LYS 24 far 0 31 0 - 7.8-11.5 HB2 ARG 19 - HD3 LYS 12 far 0 46 0 - 7.9-12.5 HB3 LEU 14 - HD3 LYS 90 far 0 68 0 - 8.0-11.0 HB3 LYS 13 - HD3 LYS 20 far 0 96 0 - 8.0-10.6 HB3 LYS 13 - HD3 LYS 12 far 0 69 0 - 8.0-8.7 HB3 ARG 19 - HD3 LYS 24 far 0 50 0 - 8.0-12.6 HB2 ARG 19 - HG12 ILE 15 far 0 59 0 - 8.0-8.9 HB3 LYS 33 - HG12 ILE 15 far 0 86 0 - 8.1-9.4 HB2 LYS 24 - HD2 LYS 20 far 0 59 0 - 8.1-9.8 HB3 ARG 19 - HD2 LYS 24 far 0 51 0 - 8.1-11.4 HB3 LYS 13 - HD2 LYS 12 far 0 69 0 - 8.2-9.7 HB3 LYS 33 - HD2 LYS 12 far 0 70 0 - 8.3-12.1 HB2 GLU 17 - HD3 LYS 24 far 0 44 0 - 8.5-11.6 HB2 ARG 19 - HD2 LYS 12 far 0 46 0 - 8.6-11.6 HB3 ARG 19 - HD3 LYS 90 far 0 82 0 - 8.6-10.9 HB2 GLU 17 - HB3 ARG 91 far 0 95 0 - 8.7-9.5 HB2 LYS 13 - HD3 LYS 90 far 0 81 0 - 8.7-11.4 HB3 LYS 33 - HD3 LYS 12 far 0 70 0 - 8.7-11.8 HB2 GLU 17 - HD2 LYS 24 far 0 45 0 - 8.8-11.8 HB2 LYS 94 - HD3 LYS 90 far 0 83 0 - 8.8-10.7 HB2 GLU 17 - HG12 ILE 15 far 0 80 0 - 8.8-9.6 HB2 LYS 13 - HD2 LYS 20 far 0 98 0 - 8.9-10.2 HB3 ARG 19 - HD3 LYS 13 far 0 46 0 - 8.9-12.8 HB3 LYS 24 - HD3 LYS 20 far 0 58 0 - 9.0-11.2 HB2 LYS 33 - HG12 ILE 15 far 0 87 0 - 9.1-10.7 HB3 LYS 24 - HD2 LYS 20 far 0 59 0 - 9.1-11.3 HB3 LYS 20 - HD3 LYS 13 far 0 45 0 - 9.1-12.9 HB3 LYS 20 - HD2 LYS 13 far 0 48 0 - 9.2-14.4 HB3 ARG 19 - HD2 LYS 13 far 0 50 0 - 9.2-12.9 HB2 LYS 13 - HD3 LYS 20 far 0 97 0 - 9.3-11.6 HG LEU 42 - HD2 LYS 73 far 0 37 0 - 9.3-12.5 HB2 LYS 20 - HD2 LYS 13 far 0 27 0 - 9.3-14.4 HB3 LEU 14 - HD2 LYS 20 far 0 87 0 - 9.4-10.8 HB2 LYS 24 - HD3 LYS 90 far 0 44 0 - 9.4-10.6 HB2 LYS 20 - HD3 LYS 13 far 0 25 0 - 9.5-13.6 HB2 LYS 73 - HD3 LYS 68 far 0 27 0 - 9.5-12.0 HB3 MET 74 - HD2 LYS 47 far 0 61 0 - 9.7-13.9 HB2 LYS 33 - HD2 LYS 12 far 0 71 0 - 9.7-13.3 HB3 ARG 46 - HD2 LYS 39 far 0 37 0 - 9.8-11.3 HB3 LEU 14 - HD3 LYS 20 far 0 86 0 - 9.8-12.0 HB3 ARG 46 - HD2 LYS 73 far 0 30 0 - 9.9-14.7 HB2 GLU 43 - HD2 LYS 73 far 0 47 0 - 9.9-15.4 HB2 LYS 73 - HD2 LYS 68 far 0 28 0 - 9.9-12.0 HB3 MET 74 - HD3 LYS 47 far 0 61 0 - 10.0-13.0 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 76 assignments used, quality = 1.00: HB2 ARG 91 + HB3 ARG 91 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 47 + HD3 LYS 47 OK 92 100 100 92 2.3-2.6 3.0=55, 12088/12090=9...(62) * HG2 LYS 47 + HD2 LYS 47 OK 50 100 55 91 2.3-3.0 3.0=55, 1.8/2175=13...(64) HG2 LYS 73 + HD2 LYS 73 OK 34 54 70 89 2.3-3.0 3.0=56, 1.8/3278=9...(57) HG3 LYS 13 + HD2 LYS 13 OK 28 49 65 88 2.3-3.0 3.0=56, 486/5.5=9...(32) HG3 LYS 13 + HD3 LYS 13 OK 28 46 70 88 2.3-3.0 3.0=56, 486/5.5=9...(32) HG3 ARG 91 + HB3 ARG 91 OK 28 59 60 80 2.3-3.0 2.8=62, 4.8/7443=13...(9) HG2 LYS 20 + HD3 LYS 20 OK 27 66 50 81 2.4-2.9 2.8=62, 883/5.3=6...(33) HG3 LYS 24 + HD2 LYS 24 OK 26 45 65 87 2.3-3.0 3.0=56, 1096/4.9=11...(38) HG2 LYS 20 + HD2 LYS 20 OK 25 67 45 83 2.2-3.0 2.8=62, 883/5.3=6...(36) HG2 LYS 73 + HD3 LYS 73 OK 25 52 55 87 2.4-3.0 3.0=56, 1.8/3278=9...(50) HG3 LYS 24 + HD3 LYS 24 OK 23 44 60 88 2.3-3.0 3.0=56, 1096/4.9=11...(45) HG LEU 64 - HD2 LYS 68 poor 11 46 25 - 2.2-5.1 HG LEU 64 - HD3 LYS 68 far 2 43 5 - 2.3-5.0 HB ILE 7 - HG12 ILE 15 far 0 60 0 - 4.8-6.0 HG2 LYS 73 - HD2 LYS 39 far 0 66 0 - 4.8-9.7 HB2 LEU 14 - HG12 ILE 15 far 0 60 0 - 4.9-7.2 HB3 LEU 64 - HD2 LYS 68 far 0 48 0 - 5.1-8.1 HB3 LEU 64 - HD3 LYS 68 far 0 46 0 - 5.2-7.9 HG2 LYS 20 - HD3 LYS 24 far 0 28 0 - 5.3-10.4 HB2 LEU 38 - HD2 LYS 39 far 0 36 0 - 5.5-8.2 HG3 LYS 13 - HD3 LYS 12 far 0 71 0 - 5.8-7.4 HG2 LYS 20 - HD2 LYS 24 far 0 29 0 - 5.9-9.0 HG2 LYS 20 - HD3 LYS 90 far 0 51 0 - 6.0-10.5 HB2 ARG 91 - HD3 LYS 90 far 0 82 0 - 6.1-7.4 HB2 LEU 14 - HD2 LYS 13 far 0 31 0 - 6.2-8.2 HG3 LYS 33 - HG12 ILE 15 far 0 83 0 - 6.3-8.1 HB2 LEU 14 - HD3 LYS 13 far 0 29 0 - 6.4-8.4 HG3 LYS 13 - HD2 LYS 12 far 0 71 0 - 6.5-8.1 HG3 LYS 24 - HD3 LYS 20 far 0 91 0 - 7.0-12.0 HB2 LEU 14 - HD3 LYS 90 far 0 55 0 - 7.1-10.0 HG LEU 38 - HD2 LYS 39 far 0 41 0 - 7.4-9.1 HG3 LYS 24 - HD2 LYS 20 far 0 93 0 - 7.5-11.1 HG2 LYS 66 - HD2 LYS 68 far 0 48 0 - 7.5-9.4 HG3 LYS 33 - HD2 LYS 12 far 0 67 0 - 7.6-10.8 HD2 LYS 82 - HD3 LYS 68 far 0 28 0 - 7.6-10.5 HG2 LYS 66 - HD3 LYS 68 far 0 46 0 - 7.6-9.5 HD2 LYS 82 - HD2 LYS 68 far 0 29 0 - 7.9-10.6 HD2 LYS 40 - HD2 LYS 39 far 0 48 0 - 7.9-10.4 HG LEU 57 - HB3 ARG 91 far 0 99 0 - 8.0-8.4 HG3 LYS 13 - HG12 ILE 15 far 0 87 0 - 8.1-9.8 HG3 LYS 33 - HD3 LYS 12 far 0 67 0 - 8.1-10.5 HG2 LYS 20 - HD3 LYS 13 far 0 26 0 - 8.1-13.0 HB2 LEU 14 - HD2 LYS 12 far 0 47 0 - 8.1-10.7 HB2 LEU 14 - HD3 LYS 12 far 0 47 0 - 8.2-9.7 HG3 ARG 91 - HD3 LYS 90 far 0 43 0 - 8.3-9.8 HD3 LYS 40 - HD2 LYS 39 far 0 49 0 - 8.5-11.4 HG12 ILE 56 - HD3 LYS 68 far 0 21 0 - 8.6-10.6 HG3 LYS 13 - HD2 LYS 20 far 0 98 0 - 8.6-10.1 HG13 ILE 52 - HD3 LYS 47 far 0 69 0 - 8.7-11.3 HG3 LYS 13 - HD3 LYS 20 far 0 98 0 - 8.7-11.5 HG2 LYS 20 - HD2 LYS 13 far 0 28 0 - 8.7-13.4 HB2 LEU 27 - HD2 LYS 24 far 0 29 0 - 8.8-11.3 HG12 ILE 56 - HD2 LYS 68 far 0 22 0 - 9.0-10.8 HG LEU 57 - HG12 ILE 15 far 0 86 0 - 9.0-10.3 HG LEU 57 - HD3 LYS 90 far 0 80 0 - 9.0-11.0 HG3 LYS 66 - HD2 LYS 68 far 0 48 0 - 9.0-10.8 HG2 LYS 73 - HD2 LYS 68 far 0 48 0 - 9.2-11.6 HG3 LYS 66 - HD3 LYS 68 far 0 46 0 - 9.2-10.9 HB2 LEU 38 - HD2 LYS 73 far 0 29 0 - 9.3-12.7 HG2 LYS 66 - HD2 LYS 73 far 0 54 0 - 9.4-12.9 HB2 LEU 14 - HD2 LYS 20 far 0 73 0 - 9.4-11.0 HB2 LEU 27 - HD3 LYS 24 far 0 28 0 - 9.4-11.8 HG2 LYS 20 - HD2 LYS 12 far 0 43 0 - 9.4-13.7 HG2 LYS 73 - HD3 LYS 68 far 0 46 0 - 9.5-11.1 HG3 LYS 66 - HD2 LYS 39 far 0 66 0 - 9.5-11.7 HG3 LYS 66 - HD2 LYS 73 far 0 54 0 - 9.6-12.5 HB2 LEU 14 - HD3 LYS 20 far 0 71 0 - 9.7-12.0 HG2 LYS 20 - HD3 LYS 12 far 0 43 0 - 9.7-14.1 HB ILE 7 - HD3 LYS 90 far 0 55 0 - 9.8-12.1 HG LEU 38 - HD2 LYS 68 far 0 29 0 - 9.8-11.4 HG LEU 38 - HD3 LYS 68 far 0 28 0 - 9.8-11.2 HG2 LYS 20 - HG12 ILE 15 far 0 55 0 - 9.8-11.9 HB ILE 7 - HD3 LYS 12 far 0 47 0 - 9.9-12.6 HB ILE 7 - HD3 LYS 20 far 0 71 0 - 9.9-12.7 HG2 LYS 66 - HD3 LYS 73 far 0 52 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 2184 from cnoeabs.peaks (1.62, 1.68, 29.28 ppm; 2.40 A): 10 out of 75 assignments used, quality = 1.00: * HG3 LYS 47 + HD2 LYS 47 OK 92 100 100 92 2.4-2.7 3.0=53, 2175/1.8=7...(65) HD3 LYS 39 + HD2 LYS 39 OK 57 57 100 100 1.8-1.8 1.8=100 HD3 LYS 68 + HD2 LYS 68 OK 32 32 100 100 1.8-1.8 1.8=100 HG3 LYS 73 + HD2 LYS 73 OK 30 41 85 87 2.2-3.0 3.0=54, 2174/1.8=8...(64) HD2 LYS 68 + HD3 LYS 68 OK 29 29 100 100 1.8-1.8 1.8=100 HG3 LYS 47 + HD3 LYS 47 OK 27 100 30 91 2.4-3.0 3.0=53, 2175/1.8=12...(60) HG3 LYS 12 + HD2 LYS 12 OK 27 51 60 89 2.3-3.0 3.0=52, 464/3.0=14...(34) HG2 LYS 68 + HD2 LYS 68 OK 26 40 75 89 2.3-3.0 3.0=53, 1.8/3038=7...(38) HG3 LYS 73 + HD3 LYS 73 OK 22 39 65 85 2.3-3.0 3.0=54, 2174/1.8=8...(57) HG3 LYS 12 + HD3 LYS 12 OK 21 51 45 90 2.5-3.0 3.0=52, 464/3.0=14...(35) HG2 LYS 68 - HD3 LYS 68 poor 18 38 55 88 2.4-3.0 3.0=53, 1.8/3038=9...(38) HG2 LYS 24 - HD3 LYS 24 poor 16 27 60 - 2.3-3.0 HG2 LYS 24 - HD2 LYS 24 poor 12 27 45 - 2.3-3.0 HG3 LYS 90 - HD3 LYS 90 poor 11 44 25 - 2.5-2.8 HD3 LYS 39 - HD2 LYS 73 far 0 46 0 - 3.7-9.0 HD2 LYS 39 - HD2 LYS 73 far 0 33 0 - 4.0-10.2 HG2 ARG 19 - HD3 LYS 20 far 0 60 0 - 4.4-9.2 HD3 LYS 94 - HB3 ARG 91 far 0 87 0 - 4.7-8.2 HG3 LYS 90 - HD3 LYS 20 far 0 58 0 - 5.0-8.2 HD2 LYS 94 - HD3 LYS 24 far 0 50 0 - 5.0-11.0 HG3 LYS 73 - HD2 LYS 39 far 0 51 0 - 5.0-11.0 HG2 ARG 19 - HG12 ILE 15 far 0 50 0 - 5.2-7.2 HG2 ARG 19 - HD2 LYS 20 far 0 61 0 - 5.2-8.4 HD3 LYS 39 - HD3 LYS 73 far 0 44 0 - 5.4-9.7 HD2 LYS 94 - HB3 ARG 91 far 0 100 0 - 5.5-9.1 HG2 ARG 19 - HD3 LYS 12 far 0 39 0 - 5.6-11.5 HD2 LYS 39 - HD3 LYS 73 far 0 31 0 - 5.6-10.7 HG3 LYS 90 - HD2 LYS 20 far 0 59 0 - 5.8-8.1 HB2 LYS 40 - HD2 LYS 39 far 0 51 0 - 5.8-8.2 HD2 LYS 94 - HD2 LYS 24 far 0 52 0 - 6.0-11.2 HD3 LYS 94 - HD3 LYS 24 far 0 38 0 - 6.0-12.8 HD3 LYS 94 - HD3 LYS 90 far 0 66 0 - 6.2-11.7 HG3 LYS 90 - HD3 LYS 24 far 0 25 0 - 6.2-9.4 HG2 ARG 19 - HD2 LYS 12 far 0 39 0 - 6.7-10.0 HG3 LYS 90 - HD2 LYS 24 far 0 25 0 - 6.7-10.1 HG3 LYS 12 - HD2 LYS 13 far 0 34 0 - 7.0-9.4 HG3 LYS 12 - HD3 LYS 13 far 0 32 0 - 7.0-9.7 HD3 LYS 94 - HD2 LYS 24 far 0 39 0 - 7.1-12.9 HD2 LYS 66 - HD2 LYS 73 far 0 44 0 - 7.2-11.6 HG3 LYS 90 - HB3 ARG 91 far 0 61 0 - 7.2-7.5 HG2 LYS 24 - HD3 LYS 20 far 0 62 0 - 7.2-12.3 HD2 LYS 94 - HD3 LYS 90 far 0 83 0 - 7.3-11.7 HG3 LYS 12 - HG12 ILE 15 far 0 65 0 - 7.3-8.1 HD2 LYS 66 - HD2 LYS 39 far 0 55 0 - 7.9-12.5 HB3 LEU 29 - HD3 LYS 20 far 0 80 0 - 7.9-11.2 HD2 LYS 66 - HD3 LYS 73 far 0 42 0 - 7.9-12.4 HG2 LYS 24 - HD2 LYS 20 far 0 63 0 - 8.1-11.6 HB ILE 76 - HD2 LYS 73 far 0 43 0 - 8.5-11.5 HB3 ARG 79 - HD3 LYS 68 far 0 28 0 - 8.6-11.7 HG LEU 27 - HD2 LYS 24 far 0 39 0 - 8.8-11.0 HG2 ARG 19 - HD3 LYS 13 far 0 24 0 - 8.8-14.6 HD2 LYS 66 - HD3 LYS 68 far 0 37 0 - 8.8-11.1 HB3 LEU 6 - HG12 ILE 15 far 0 68 0 - 8.8-10.5 HG LEU 27 - HD3 LYS 24 far 0 38 0 - 8.8-11.1 HG3 LYS 73 - HD3 LYS 68 far 0 35 0 - 9.0-11.5 HD2 LYS 66 - HD2 LYS 68 far 0 39 0 - 9.0-10.6 HG3 LYS 73 - HD2 LYS 68 far 0 37 0 - 9.0-11.9 HB ILE 76 - HD3 LYS 73 far 0 41 0 - 9.1-11.5 HB2 ARG 30 - HG12 ILE 15 far 0 78 0 - 9.1-11.2 HB3 LEU 29 - HD2 LYS 20 far 0 81 0 - 9.1-10.9 HB3 LEU 29 - HD2 LYS 24 far 0 37 0 - 9.1-11.9 HB3 LEU 29 - HG12 ILE 15 far 0 68 0 - 9.4-10.8 HB2 ARG 79 - HD3 LYS 68 far 0 36 0 - 9.4-12.2 HG2 ARG 19 - HD3 LYS 90 far 0 46 0 - 9.5-11.7 HB3 ARG 79 - HD2 LYS 68 far 0 29 0 - 9.5-11.7 HG2 ARG 19 - HD2 LYS 13 far 0 25 0 - 9.5-15.1 HB ILE 76 - HD2 LYS 39 far 0 53 0 - 9.6-11.7 HG2 LYS 68 - HD2 LYS 73 far 0 45 0 - 9.6-12.1 HB3 LEU 29 - HD3 LYS 24 far 0 36 0 - 9.6-12.9 HG3 LYS 90 - HD2 LYS 13 far 0 25 0 - 9.6-13.1 HG2 LYS 68 - HD3 LYS 73 far 0 43 0 - 9.6-12.4 HG2 ARG 19 - HD2 LYS 24 far 0 26 0 - 9.7-13.2 HG2 ARG 19 - HD3 LYS 24 far 0 26 0 - 9.7-14.3 HG3 LYS 12 - HD2 LYS 20 far 0 78 0 - 9.8-11.8 HG3 LYS 90 - HD3 LYS 13 far 0 23 0 - 9.9-12.9 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): 22 out of 80 assignments used, quality = 1.00: HE3 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 100 100 100 100 2.3-3.0 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 2.3-3.0 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 2.3-3.0 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 2.3-3.0 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 2.5-3.0 2.9=100 HE3 LYS 13 + HD2 LYS 13 OK 45 45 100 100 2.3-3.0 2.9=100 HE2 LYS 12 + HD3 LYS 12 OK 44 44 100 100 2.3-3.0 3.0=100 HE2 LYS 12 + HD2 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 2.2-3.0 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 2.5-3.0 3.0=100 HE3 LYS 13 + HD3 LYS 13 OK 41 41 100 100 2.5-3.0 2.9=100 HE2 LYS 73 + HD3 LYS 73 OK 40 40 100 100 2.3-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 37 37 100 100 2.3-3.0 3.0=100 HB2 SER 9 + HG12 ILE 15 OK 36 80 50 91 3.1-4.6 8444/1.8=29, 8320=25...(15) HE3 LYS 73 + HD3 LYS 73 OK 35 35 100 100 2.5-3.0 3.0=100 HE2 LYS 73 - HD2 LYS 39 far 0 52 0 - 3.9-12.4 HE3 LYS 73 - HD2 LYS 39 far 0 46 0 - 4.0-12.2 HG2 MET 21 - HD3 LYS 90 far 0 51 0 - 4.2-5.4 HB3 ASP 11 - HD2 LYS 13 far 0 42 0 - 4.4-7.2 HE3 LYS 90 - HD3 LYS 20 far 0 58 0 - 4.4-8.4 HE2 LYS 12 - HG12 ILE 15 far 0 57 0 - 4.5-8.3 HB3 ASP 11 - HG12 ILE 15 far 0 77 0 - 4.6-7.1 HE3 LYS 12 - HG12 ILE 15 far 0 86 0 - 4.6-8.2 HG2 MET 21 - HD3 LYS 24 far 0 28 0 - 5.1-8.0 HG2 MET 21 - HD2 LYS 24 far 0 29 0 - 5.5-8.4 HE3 LYS 90 - HD2 LYS 20 far 0 59 0 - 5.6-8.5 HB3 ASP 11 - HD3 LYS 12 far 0 61 0 - 5.6-8.1 HB3 ASP 11 - HD3 LYS 13 far 0 39 0 - 5.6-7.5 HB3 ASP 11 - HD2 LYS 12 far 0 61 0 - 5.6-8.7 HE3 LYS 24 - HD3 LYS 20 far 0 95 0 - 5.8-12.5 HG2 MET 21 - HD3 LYS 20 far 0 66 0 - 6.0-9.1 HE2 LYS 24 - HD3 LYS 20 far 0 95 0 - 6.1-12.3 HB2 SER 9 - HD2 LYS 12 far 0 64 0 - 6.1-11.1 HB2 SER 9 - HD3 LYS 12 far 0 64 0 - 6.2-9.5 HE3 LYS 13 - HD3 LYS 12 far 0 65 0 - 6.5-10.7 HE2 LYS 13 - HD2 LYS 20 far 0 95 0 - 6.5-12.1 HG2 MET 21 - HB3 ARG 91 far 0 69 0 - 6.9-7.5 HE3 LYS 24 - HD2 LYS 20 far 0 96 0 - 6.9-12.0 HG2 MET 21 - HD2 LYS 20 far 0 67 0 - 6.9-9.4 HE3 LYS 90 - HD2 LYS 24 far 0 25 0 - 7.1-11.6 HE3 LYS 13 - HD2 LYS 12 far 0 65 0 - 7.1-11.2 HB2 PHE 45 - HD3 LYS 47 far 0 99 0 - 7.2-8.6 HE2 LYS 13 - HD2 LYS 12 far 0 66 0 - 7.2-12.0 HE3 LYS 90 - HD3 LYS 24 far 0 25 0 - 7.3-10.7 HE3 LYS 12 - HD3 LYS 13 far 0 45 0 - 7.3-11.8 HB3 PHE 45 - HD3 LYS 47 far 0 100 0 - 7.3-9.1 HE3 LYS 90 - HB3 ARG 91 far 0 61 0 - 7.4-8.9 HE3 LYS 13 - HD3 LYS 90 far 0 75 0 - 7.4-13.8 HE2 LYS 13 - HD3 LYS 12 far 0 66 0 - 7.5-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 96 0 - 7.5-11.7 HE2 LYS 13 - HD3 LYS 20 far 0 94 0 - 7.5-13.3 HE3 LYS 13 - HD2 LYS 20 far 0 93 0 - 7.5-11.8 HE2 LYS 12 - HD2 LYS 13 far 0 29 0 - 7.6-11.5 HE3 LYS 13 - HD3 LYS 20 far 0 92 0 - 7.6-13.1 HE3 LYS 12 - HD2 LYS 13 far 0 48 0 - 7.7-11.9 HE3 LYS 90 - HD2 LYS 13 far 0 25 0 - 7.7-13.0 HB2 PHE 45 - HD2 LYS 47 far 0 99 0 - 7.8-9.3 HE3 LYS 90 - HD3 LYS 13 far 0 23 0 - 8.0-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 98 0 - 8.1-13.3 HB3 PHE 45 - HD2 LYS 47 far 0 100 0 - 8.2-9.6 HE3 LYS 12 - HD3 LYS 20 far 0 97 0 - 8.2-14.3 HE2 LYS 12 - HD3 LYS 13 far 0 27 0 - 8.4-11.8 HE2 LYS 13 - HD3 LYS 90 far 0 77 0 - 8.4-13.0 HE3 LYS 24 - HD3 LYS 90 far 0 78 0 - 8.9-13.3 HE3 LYS 73 - HD3 LYS 68 far 0 31 0 - 9.3-14.2 HE3 LYS 73 - HD2 LYS 68 far 0 33 0 - 9.5-14.4 HB2 SER 9 - HD2 LYS 13 far 0 44 0 - 9.5-12.2 HE2 LYS 24 - HD3 LYS 90 far 0 78 0 - 9.6-13.5 HE2 LYS 73 - HD2 LYS 68 far 0 37 0 - 9.7-14.6 HE3 LYS 13 - HG12 ILE 15 far 0 81 0 - 9.7-12.9 HB3 ASP 11 - HD3 LYS 90 far 0 71 0 - 9.7-13.1 HE2 LYS 12 - HD2 LYS 20 far 0 69 0 - 9.9-12.6 HE2 LYS 12 - HD3 LYS 20 far 0 68 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 2188 from cnoeabs.peaks (2.97, 1.68, 29.28 ppm; 3.25 A): 22 out of 80 assignments used, quality = 1.00: * HE3 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 100 100 100 100 2.3-3.0 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 2.3-3.0 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 2.3-3.0 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 2.3-3.0 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 2.5-3.0 2.9=100 HE3 LYS 13 + HD2 LYS 13 OK 45 45 100 100 2.3-3.0 2.9=100 HE2 LYS 12 + HD3 LYS 12 OK 44 44 100 100 2.3-3.0 3.0=100 HE2 LYS 12 + HD2 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 2.2-3.0 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 2.5-3.0 3.0=100 HE3 LYS 13 + HD3 LYS 13 OK 41 41 100 100 2.5-3.0 2.9=100 HE2 LYS 73 + HD3 LYS 73 OK 40 40 100 100 2.3-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 37 37 100 100 2.3-3.0 3.0=100 HB2 SER 9 + HG12 ILE 15 OK 36 80 50 91 3.1-4.6 8444/1.8=29, 8320=25...(15) HE3 LYS 73 + HD3 LYS 73 OK 35 35 100 100 2.5-3.0 3.0=100 HE2 LYS 73 - HD2 LYS 39 far 0 52 0 - 3.9-12.4 HE3 LYS 73 - HD2 LYS 39 far 0 46 0 - 4.0-12.2 HG2 MET 21 - HD3 LYS 90 far 0 51 0 - 4.2-5.4 HB3 ASP 11 - HD2 LYS 13 far 0 42 0 - 4.4-7.2 HE3 LYS 90 - HD3 LYS 20 far 0 58 0 - 4.4-8.4 HE2 LYS 12 - HG12 ILE 15 far 0 57 0 - 4.5-8.3 HB3 ASP 11 - HG12 ILE 15 far 0 77 0 - 4.6-7.1 HE3 LYS 12 - HG12 ILE 15 far 0 86 0 - 4.6-8.2 HG2 MET 21 - HD3 LYS 24 far 0 28 0 - 5.1-8.0 HG2 MET 21 - HD2 LYS 24 far 0 29 0 - 5.5-8.4 HE3 LYS 90 - HD2 LYS 20 far 0 59 0 - 5.6-8.5 HB3 ASP 11 - HD3 LYS 12 far 0 61 0 - 5.6-8.1 HB3 ASP 11 - HD3 LYS 13 far 0 39 0 - 5.6-7.5 HB3 ASP 11 - HD2 LYS 12 far 0 61 0 - 5.6-8.7 HE3 LYS 24 - HD3 LYS 20 far 0 95 0 - 5.8-12.5 HG2 MET 21 - HD3 LYS 20 far 0 66 0 - 6.0-9.1 HE2 LYS 24 - HD3 LYS 20 far 0 95 0 - 6.1-12.3 HB2 SER 9 - HD2 LYS 12 far 0 64 0 - 6.1-11.1 HB2 SER 9 - HD3 LYS 12 far 0 64 0 - 6.2-9.5 HE3 LYS 13 - HD3 LYS 12 far 0 65 0 - 6.5-10.7 HE2 LYS 13 - HD2 LYS 20 far 0 95 0 - 6.5-12.1 HG2 MET 21 - HB3 ARG 91 far 0 69 0 - 6.9-7.5 HE3 LYS 24 - HD2 LYS 20 far 0 96 0 - 6.9-12.0 HG2 MET 21 - HD2 LYS 20 far 0 67 0 - 6.9-9.4 HE3 LYS 90 - HD2 LYS 24 far 0 25 0 - 7.1-11.6 HE3 LYS 13 - HD2 LYS 12 far 0 65 0 - 7.1-11.2 HB2 PHE 45 - HD3 LYS 47 far 0 99 0 - 7.2-8.6 HE2 LYS 13 - HD2 LYS 12 far 0 66 0 - 7.2-12.0 HE3 LYS 90 - HD3 LYS 24 far 0 25 0 - 7.3-10.7 HE3 LYS 12 - HD3 LYS 13 far 0 45 0 - 7.3-11.8 HB3 PHE 45 - HD3 LYS 47 far 0 100 0 - 7.3-9.1 HE3 LYS 90 - HB3 ARG 91 far 0 61 0 - 7.4-8.9 HE3 LYS 13 - HD3 LYS 90 far 0 75 0 - 7.4-13.8 HE2 LYS 13 - HD3 LYS 12 far 0 66 0 - 7.5-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 96 0 - 7.5-11.7 HE2 LYS 13 - HD3 LYS 20 far 0 94 0 - 7.5-13.3 HE3 LYS 13 - HD2 LYS 20 far 0 93 0 - 7.5-11.8 HE2 LYS 12 - HD2 LYS 13 far 0 29 0 - 7.6-11.5 HE3 LYS 13 - HD3 LYS 20 far 0 92 0 - 7.6-13.1 HE3 LYS 12 - HD2 LYS 13 far 0 48 0 - 7.7-11.9 HE3 LYS 90 - HD2 LYS 13 far 0 25 0 - 7.7-13.0 HB2 PHE 45 - HD2 LYS 47 far 0 99 0 - 7.8-9.3 HE3 LYS 90 - HD3 LYS 13 far 0 23 0 - 8.0-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 98 0 - 8.1-13.3 HB3 PHE 45 - HD2 LYS 47 far 0 100 0 - 8.2-9.6 HE3 LYS 12 - HD3 LYS 20 far 0 97 0 - 8.2-14.3 HE2 LYS 12 - HD3 LYS 13 far 0 27 0 - 8.4-11.8 HE2 LYS 13 - HD3 LYS 90 far 0 77 0 - 8.4-13.0 HE3 LYS 24 - HD3 LYS 90 far 0 78 0 - 8.9-13.3 HE3 LYS 73 - HD3 LYS 68 far 0 31 0 - 9.3-14.2 HE3 LYS 73 - HD2 LYS 68 far 0 33 0 - 9.5-14.4 HB2 SER 9 - HD2 LYS 13 far 0 44 0 - 9.5-12.2 HE2 LYS 24 - HD3 LYS 90 far 0 78 0 - 9.6-13.5 HE2 LYS 73 - HD2 LYS 68 far 0 37 0 - 9.7-14.6 HE3 LYS 13 - HG12 ILE 15 far 0 81 0 - 9.7-12.9 HB3 ASP 11 - HD3 LYS 90 far 0 71 0 - 9.7-13.1 HE2 LYS 12 - HD2 LYS 20 far 0 69 0 - 9.9-12.6 HE2 LYS 12 - HD3 LYS 20 far 0 68 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 2189 from cnoeabs.peaks (7.62, 1.68, 29.28 ppm; 6.23 A increased from 5.86 A): 5 out of 12 assignments used, quality = 1.00: H GLU 48 + HD3 LYS 47 OK 100 100 100 100 4.5-6.4 6783/3.9=95, 6784/3.0=93...(9) * H GLU 48 + HD2 LYS 47 OK 100 100 100 100 4.9-6.3 6783/3.9=95, 6784/3.0=93...(9) H GLU 44 + HD3 LYS 47 OK 97 97 100 100 5.3-6.2 ~12088=68, ~12089=66...(16) H LYS 40 + HD2 LYS 39 OK 58 58 100 100 4.9-6.0 6620/3.6=90, 6621/3.6=86...(9) H GLU 44 + HD2 LYS 47 OK 53 97 55 100 5.0-7.2 ~12088=68, ~12089=66...(15) HD22 ASN 10 - HD2 LYS 12 far 3 69 5 - 5.9-12.7 HD22 ASN 10 - HD3 LYS 12 far 3 69 5 - 6.2-11.6 HD22 ASN 10 - HG12 ILE 15 far 0 86 0 - 7.6-9.9 HE22 GLN 50 - HD3 LYS 47 far 0 99 0 - 8.4-16.7 HE22 GLN 50 - HD2 LYS 47 far 0 99 0 - 8.7-15.7 H GLU 44 - HD2 LYS 39 far 0 61 0 - 9.1-10.3 H LYS 40 - HD2 LYS 73 far 0 47 0 - 9.5-13.7 Violated in 0 structures by 0.00 A. Peak 2190 from cnoeabs.peaks (7.47, 1.68, 29.28 ppm; 3.42 A): 1 out of 24 assignments used, quality = 1.00: H ARG 91 + HB3 ARG 91 OK 100 100 100 100 2.3-2.5 7443=100, 7442/1.8=82...(17) H LYS 47 - HD2 LYS 47 far 15 100 15 - 3.2-4.7 ! H LYS 47 - HD3 LYS 47 far 5 100 5 - 3.7-4.5 HE22 GLN 72 - HD2 LYS 68 far 1 29 5 - 3.3-6.1 H ARG 91 - HD3 LYS 90 far 0 84 0 - 4.6-5.4 HE ARG 19 - HG12 ILE 15 far 0 78 0 - 4.6-8.8 HE ARG 19 - HD3 LYS 12 far 0 63 0 - 5.0-12.7 HE ARG 46 - HD2 LYS 47 far 0 100 0 - 5.1-11.0 HE ARG 19 - HD3 LYS 20 far 0 87 0 - 5.2-10.3 HE ARG 46 - HD3 LYS 47 far 0 100 0 - 5.4-11.1 HE ARG 19 - HD2 LYS 20 far 0 89 0 - 5.8-9.4 HE ARG 19 - HD2 LYS 12 far 0 63 0 - 6.3-11.6 HZ2 TRP 92 - HB3 ARG 91 far 0 93 0 - 6.4-7.4 HD22 ASN 26 - HD3 LYS 24 far 0 51 0 - 6.5-11.0 HD22 ASN 26 - HD2 LYS 24 far 0 53 0 - 7.1-10.6 HE ARG 46 - HD2 LYS 73 far 0 53 0 - 7.3-13.9 HE ARG 46 - HD3 LYS 73 far 0 50 0 - 7.4-13.2 HE22 GLN 72 - HD2 LYS 73 far 0 33 0 - 7.5-11.3 HE22 GLN 72 - HD3 LYS 73 far 0 31 0 - 7.7-11.1 HE ARG 46 - HD2 LYS 39 far 0 64 0 - 8.6-12.5 HE ARG 19 - HD2 LYS 24 far 0 44 0 - 9.3-15.3 HE ARG 19 - HD3 LYS 24 far 0 43 0 - 9.6-16.4 HE ARG 19 - HD3 LYS 13 far 0 40 0 - 9.6-16.1 H ARG 91 - HD3 LYS 24 far 0 52 0 - 9.7-13.2 Violated in 0 structures by 0.00 A. Peak 2191 from cnoeabs.peaks (4.14, 1.68, 29.28 ppm; 5.36 A): 6 out of 23 assignments used, quality = 1.00: HA LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.2-5.0 5.1=100 * HA LYS 47 + HD3 LYS 47 OK 100 100 100 100 3.8-4.9 5.1=100 HA LYS 13 + HD2 LYS 13 OK 49 49 100 100 2.0-4.7 486/3.0=95, 5.5=94...(61) HA LYS 13 + HD3 LYS 13 OK 46 46 100 100 2.1-4.4 486/3.0=95, 5.5=94...(61) HA LYS 73 + HD2 LYS 73 OK 36 36 100 100 3.8-5.0 5.1=100 HA LYS 73 + HD3 LYS 73 OK 34 34 100 100 3.1-4.7 5.1=100 HA GLU 23 - HD2 LYS 24 poor 13 53 25 - 4.8-8.4 HA LYS 13 - HD3 LYS 12 far 0 71 0 - 5.8-7.0 HA GLU 23 - HD3 LYS 24 far 0 51 0 - 6.1-9.0 HA LYS 13 - HD2 LYS 12 far 0 71 0 - 6.1-7.9 HA LYS 13 - HD2 LYS 20 far 0 96 0 - 6.2-7.4 HA LYS 13 - HG12 ILE 15 far 0 86 0 - 6.5-8.1 HA LYS 13 - HD3 LYS 20 far 0 95 0 - 6.7-8.8 HA GLU 62 - HD2 LYS 68 far 0 36 0 - 7.1-9.5 HA GLN 72 - HD2 LYS 73 far 0 50 0 - 7.4-8.3 HA GLN 72 - HD3 LYS 73 far 0 48 0 - 7.5-8.1 HB2 SER 59 - HG12 ILE 15 far 0 83 0 - 7.7-10.4 HA GLN 72 - HD2 LYS 68 far 0 43 0 - 7.8-9.8 HA GLU 23 - HD3 LYS 20 far 0 98 0 - 7.9-10.7 HA LYS 13 - HD3 LYS 90 far 0 81 0 - 8.1-10.7 HA LYS 73 - HD2 LYS 39 far 0 44 0 - 8.2-11.8 HA GLU 23 - HD2 LYS 20 far 0 99 0 - 9.6-10.7 HA GLN 72 - HD2 LYS 39 far 0 60 0 - 9.9-13.1 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 83 assignments used, quality = 1.00: * HB2 LYS 47 + HD3 LYS 47 OK 70 100 70 99 2.7-3.7 3.9=52, 1.8/2153=16...(99) HB2 GLU 17 + HD3 LYS 90 OK 56 63 95 94 2.0-4.4 1.8/10433=52...(24) HB2 LYS 24 + HD2 LYS 24 OK 49 52 95 99 2.1-3.7 3.6=72, 1072/8564=15...(97) HB3 LYS 20 + HD2 LYS 20 OK 46 67 70 98 2.4-4.2 3.5=74, ~848=16, ~883=16...(49) HB2 LYS 47 + HD2 LYS 47 OK 45 100 45 100 2.2-3.8 3.9=52, 3.0/2175=14...(106) HB3 LYS 73 + HD2 LYS 73 OK 44 50 90 99 2.1-3.5 3.6=70, 3244/1.8=12...(106) HB3 LYS 20 + HD3 LYS 20 OK 44 65 70 97 2.0-3.9 3.5=74, ~848=16, ~883=16...(43) HB3 LYS 73 + HD3 LYS 73 OK 42 47 90 99 2.0-3.6 3.6=70, 3.0/3233=13...(102) HB2 LYS 24 + HD3 LYS 24 OK 40 51 80 99 2.1-4.2 3.6=72, ~1096=15...(99) HB3 LYS 24 + HD2 LYS 24 OK 36 52 70 99 2.3-3.9 3.6=72, ~1096=15...(92) HB3 LYS 24 + HD3 LYS 24 OK 30 51 60 99 2.2-4.1 3.6=72, ~1096=15...(94) HB2 LYS 73 + HD3 LYS 73 OK 24 48 50 100 2.9-4.0 3.6=70, 3.0/3233=13...(117) HB3 GLU 17 + HD3 LYS 90 OK 21 45 50 93 2.8-6.0 10433=30, ~12027=19...(37) HB2 LYS 73 - HD2 LYS 73 poor 20 50 40 100 3.0-4.2 3.6=70, 7205/6.4=12...(117) QE MET 74 - HD2 LYS 39 poor 10 38 25 - 2.9-4.6 HB3 ARG 19 - HD3 LYS 20 far 6 55 10 - 2.5-6.4 HB3 ARG 46 - HD2 LYS 47 far 5 99 5 - 3.5-7.4 HB3 LYS 20 - HD3 LYS 24 far 0 29 0 - 3.5-9.0 HB3 ARG 19 - HD2 LYS 20 far 0 57 0 - 3.5-5.5 HB3 ARG 46 - HD3 LYS 47 far 0 99 0 - 3.9-7.2 HB3 GLU 44 - HD2 LYS 47 far 0 73 0 - 3.9-7.1 HB2 ARG 46 - HD2 LYS 47 far 0 100 0 - 3.9-7.8 HB2 GLU 17 - HD3 LYS 20 far 0 78 0 - 3.9-7.4 HB3 GLU 44 - HD3 LYS 47 far 0 73 0 - 4.1-5.9 QE MET 74 - HD2 LYS 73 far 0 31 0 - 4.2-8.4 HB3 LYS 20 - HD2 LYS 24 far 0 30 0 - 4.4-7.6 HB3 MET 74 - HD2 LYS 73 far 0 52 0 - 4.4-8.7 HB2 GLU 17 - HD2 LYS 20 far 0 79 0 - 4.6-7.1 HB2 ARG 46 - HD3 LYS 47 far 0 100 0 - 4.7-8.1 HB3 GLU 17 - HD2 LYS 20 far 0 59 0 - 4.8-6.9 HB2 GLU 44 - HD3 LYS 47 far 0 73 0 - 4.8-6.7 HB3 GLU 17 - HD3 LYS 20 far 0 57 0 - 4.9-7.5 HB2 GLU 44 - HD2 LYS 47 far 0 73 0 - 4.9-7.6 HB3 MET 74 - HD3 LYS 73 far 0 50 0 - 5.1-8.8 HB2 LYS 73 - HD2 LYS 39 far 0 60 0 - 5.3-10.6 QE MET 74 - HD3 LYS 73 far 0 29 0 - 5.6-8.5 HG3 GLU 88 - HB3 ARG 91 far 0 85 0 - 6.1-6.8 HB3 LYS 73 - HD2 LYS 39 far 0 60 0 - 6.1-10.4 HB2 GLU 35 - HD2 LYS 39 far 0 31 0 - 6.2-7.4 HB3 LYS 20 - HD3 LYS 90 far 0 52 0 - 6.2-8.9 HB3 MET 74 - HD2 LYS 39 far 0 63 0 - 6.2-8.8 HB3 GLU 17 - HD2 LYS 13 far 0 25 0 - 6.2-9.2 HB3 GLU 17 - HD3 LYS 13 far 0 24 0 - 6.6-8.9 HB3 ARG 19 - HG12 ILE 15 far 0 48 0 - 6.9-7.9 HB3 ARG 19 - HD3 LYS 12 far 0 37 0 - 7.0-11.6 HB2 GLU 17 - HD2 LYS 13 far 0 37 0 - 7.0-10.2 HB3 GLU 17 - HG12 ILE 15 far 0 49 0 - 7.1-8.1 HB2 GLU 17 - HD3 LYS 13 far 0 34 0 - 7.2-10.2 HG3 GLU 88 - HD3 LYS 90 far 0 66 0 - 7.3-8.9 HB2 LYS 24 - HD3 LYS 20 far 0 97 0 - 7.3-9.9 QE MET 74 - HD3 LYS 47 far 0 71 0 - 7.4-9.6 HB VAL 32 - HG12 ILE 15 far 0 67 0 - 7.6-9.2 QE MET 74 - HD2 LYS 47 far 0 71 0 - 7.7-10.3 HB3 ARG 19 - HD2 LYS 12 far 0 37 0 - 7.7-10.7 HB3 ARG 19 - HD3 LYS 24 far 0 24 0 - 8.0-12.6 HB2 LYS 24 - HD2 LYS 20 far 0 98 0 - 8.1-9.8 HB3 ARG 19 - HD2 LYS 24 far 0 25 0 - 8.1-11.4 HB2 GLU 17 - HD3 LYS 24 far 0 36 0 - 8.5-11.6 HB3 ARG 19 - HD3 LYS 90 far 0 44 0 - 8.6-10.9 HB2 GLU 17 - HB3 ARG 91 far 0 82 0 - 8.7-9.5 HB2 GLU 17 - HD2 LYS 24 far 0 37 0 - 8.8-11.8 HB2 GLU 17 - HG12 ILE 15 far 0 68 0 - 8.8-9.6 HB2 GLU 37 - HD2 LYS 39 far 0 61 0 - 8.9-9.9 HB3 ARG 19 - HD3 LYS 13 far 0 23 0 - 8.9-12.8 HB3 GLU 17 - HD3 LYS 12 far 0 38 0 - 9.0-11.5 HB3 LYS 24 - HD3 LYS 20 far 0 97 0 - 9.0-11.2 HB2 ARG 46 - HD2 LYS 73 far 0 52 0 - 9.0-14.8 HB3 LYS 24 - HD2 LYS 20 far 0 98 0 - 9.1-11.3 HB3 LYS 20 - HD3 LYS 13 far 0 27 0 - 9.1-12.9 HB3 LYS 20 - HD2 LYS 13 far 0 29 0 - 9.2-14.4 HB2 ARG 46 - HD2 LYS 39 far 0 63 0 - 9.2-11.9 HB3 ARG 19 - HD2 LYS 13 far 0 24 0 - 9.2-12.9 HB2 LYS 24 - HD3 LYS 90 far 0 83 0 - 9.4-10.6 HB3 GLU 17 - HD2 LYS 12 far 0 38 0 - 9.6-11.6 HB3 GLU 17 - HB3 ARG 91 far 0 61 0 - 9.6-10.2 HB3 MET 74 - HD2 LYS 47 far 0 100 0 - 9.7-13.9 HB3 GLU 17 - HD3 LYS 24 far 0 25 0 - 9.7-13.0 HB3 ARG 46 - HD2 LYS 39 far 0 61 0 - 9.8-11.3 HB3 ARG 46 - HD2 LYS 73 far 0 51 0 - 9.9-14.7 HB2 ARG 46 - HD3 LYS 73 far 0 50 0 - 9.9-14.7 HB2 LYS 73 - HD2 LYS 68 far 0 43 0 - 9.9-12.0 HB3 GLU 17 - HD2 LYS 24 far 0 26 0 - 9.9-12.8 HB3 MET 74 - HD3 LYS 47 far 0 100 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 2193 from cnoeabs.peaks (1.92, 1.68, 29.28 ppm; 3.09 A): 9 out of 110 assignments used, quality = 1.00: * HB3 LYS 47 + HD3 LYS 47 OK 70 100 70 99 2.4-4.2 3.9=48, 2154/3.0=15...(110) HB2 GLU 17 + HD3 LYS 90 OK 67 76 95 93 2.0-4.4 1.8/10433=48...(23) HB3 LYS 20 + HD3 LYS 20 OK 65 96 70 97 2.0-3.9 3.5=67, ~848=15, ~883=15...(43) HB3 LYS 20 + HD2 LYS 20 OK 61 97 65 97 2.4-4.2 3.5=67, ~848=15, ~883=15...(49) HB3 LYS 13 + HD2 LYS 13 OK 44 50 90 99 2.1-3.6 3.6=64, 502/1.8=16...(80) HB2 LYS 20 + HD3 LYS 20 OK 42 63 70 96 2.1-3.9 3.5=67, ~848=15, ~883=15...(45) HB3 LYS 13 + HD3 LYS 13 OK 30 46 65 99 2.2-3.7 3.6=64, 501/1.8=16...(79) HB3 LYS 73 + HD3 LYS 73 OK 24 30 80 99 2.0-3.6 3.6=64, 3.0/3233=12...(101) HB2 LYS 24 + HD2 LYS 24 OK 22 26 85 99 2.1-3.7 3.6=65, ~1096=14...(97) HB3 LYS 47 - HD2 LYS 47 poor 20 100 20 - 2.7-3.7 HB3 LYS 24 - HD2 LYS 24 poor 17 26 65 - 2.3-3.9 HB2 LYS 24 - HD3 LYS 24 poor 16 25 65 - 2.1-4.2 HB3 LYS 73 - HD2 LYS 73 poor 16 32 50 - 2.1-3.5 HB3 LYS 24 - HD3 LYS 24 poor 15 25 60 - 2.2-4.1 HB2 LYS 13 - HD2 LYS 13 poor 15 50 30 - 2.5-4.1 HB2 LYS 73 - HD3 LYS 73 poor 12 29 40 - 2.9-4.0 HB2 LYS 13 - HD3 LYS 13 poor 12 47 25 - 2.7-4.2 HB3 ARG 19 - HD3 LYS 20 far 10 97 10 - 2.5-6.4 HB2 LYS 20 - HD2 LYS 20 far 10 65 15 - 2.4-4.0 HB2 LYS 73 - HD2 LYS 73 poor 9 31 30 - 3.0-4.2 HB3 LEU 14 - HG12 ILE 15 far 4 75 5 - 3.2-5.5 HB2 LYS 20 - HD3 LYS 24 far 1 28 5 - 3.2-9.6 HB2 ARG 19 - HD3 LYS 20 far 0 69 0 - 3.5-7.3 HB3 ARG 46 - HD2 LYS 47 far 0 67 0 - 3.5-7.4 HB3 LYS 20 - HD3 LYS 24 far 0 49 0 - 3.5-9.0 HB3 ARG 19 - HD2 LYS 20 far 0 98 0 - 3.5-5.5 HB2 LYS 20 - HD2 LYS 24 far 0 29 0 - 3.7-8.3 HB3 ARG 46 - HD3 LYS 47 far 0 68 0 - 3.9-7.2 HB2 GLU 17 - HD3 LYS 20 far 0 91 0 - 3.9-7.4 HB3 LYS 20 - HD2 LYS 24 far 0 51 0 - 4.4-7.6 HB3 MET 74 - HD2 LYS 73 far 0 26 0 - 4.4-8.7 HB2 ARG 19 - HD2 LYS 20 far 0 70 0 - 4.5-6.7 HB2 GLU 17 - HD2 LYS 20 far 0 92 0 - 4.6-7.1 HB2 GLU 43 - HD3 LYS 47 far 0 94 0 - 4.6-7.3 HB2 GLU 43 - HD2 LYS 47 far 0 94 0 - 5.0-7.5 HB3 MET 74 - HD3 LYS 73 far 0 25 0 - 5.1-8.8 HB2 LYS 73 - HD2 LYS 39 far 0 38 0 - 5.3-10.6 HB2 LYS 94 - HB3 ARG 91 far 0 100 0 - 5.6-7.8 HG3 GLU 88 - HB3 ARG 91 far 0 93 0 - 6.1-6.8 HB3 LYS 73 - HD2 LYS 39 far 0 39 0 - 6.1-10.4 HB3 LYS 20 - HD3 LYS 90 far 0 81 0 - 6.2-8.9 HB3 MET 74 - HD2 LYS 39 far 0 32 0 - 6.2-8.8 HB2 LYS 94 - HD3 LYS 24 far 0 52 0 - 6.4-10.7 HB2 LYS 13 - HD3 LYS 12 far 0 72 0 - 6.6-8.0 HB2 LYS 94 - HD2 LYS 24 far 0 53 0 - 6.7-11.3 HB2 LYS 13 - HG12 ILE 15 far 0 88 0 - 6.7-8.5 HB3 LEU 14 - HD3 LYS 12 far 0 60 0 - 6.7-8.5 HB3 LEU 14 - HD2 LYS 12 far 0 60 0 - 6.8-9.3 HB2 LYS 13 - HD2 LYS 12 far 0 72 0 - 6.8-8.8 HB3 LEU 14 - HD2 LYS 13 far 0 41 0 - 6.9-8.6 HB3 ARG 19 - HG12 ILE 15 far 0 89 0 - 6.9-7.9 HB3 ARG 19 - HD3 LYS 12 far 0 74 0 - 7.0-11.6 HB2 GLU 17 - HD2 LYS 13 far 0 45 0 - 7.0-10.2 HG LEU 42 - HD2 LYS 39 far 0 44 0 - 7.1-8.3 HB ILE 8 - HG12 ILE 15 far 0 65 0 - 7.1-8.1 HB2 GLU 17 - HD3 LYS 13 far 0 42 0 - 7.2-10.2 HB3 LYS 13 - HG12 ILE 15 far 0 87 0 - 7.3-9.3 HG3 GLU 88 - HD3 LYS 90 far 0 74 0 - 7.3-8.9 HB3 LEU 14 - HD3 LYS 13 far 0 38 0 - 7.3-8.7 HB2 LYS 24 - HD3 LYS 20 far 0 57 0 - 7.3-9.9 HB3 LYS 13 - HD3 LYS 90 far 0 81 0 - 7.5-10.1 HB2 GLU 43 - HD2 LYS 39 far 0 55 0 - 7.5-9.4 HB VAL 32 - HG12 ILE 15 far 0 82 0 - 7.6-9.2 HB3 ARG 19 - HD2 LYS 12 far 0 74 0 - 7.7-10.7 HB2 LYS 20 - HD3 LYS 90 far 0 50 0 - 7.8-9.0 HB3 LYS 13 - HD2 LYS 20 far 0 97 0 - 7.8-9.2 HB2 ARG 19 - HD3 LYS 24 far 0 31 0 - 7.8-12.5 HB2 ARG 19 - HD2 LYS 24 far 0 32 0 - 7.8-11.5 HB2 ARG 19 - HD3 LYS 12 far 0 47 0 - 7.9-12.5 HB3 LEU 14 - HD3 LYS 90 far 0 70 0 - 8.0-11.0 HB3 LYS 13 - HD3 LYS 20 far 0 96 0 - 8.0-10.6 HB3 LYS 13 - HD3 LYS 12 far 0 71 0 - 8.0-8.7 HB3 ARG 19 - HD3 LYS 24 far 0 51 0 - 8.0-12.6 HB2 ARG 19 - HG12 ILE 15 far 0 60 0 - 8.0-8.9 HB3 LYS 33 - HG12 ILE 15 far 0 87 0 - 8.1-9.4 HB2 LYS 24 - HD2 LYS 20 far 0 59 0 - 8.1-9.8 HB3 ARG 19 - HD2 LYS 24 far 0 52 0 - 8.1-11.4 HB3 LYS 13 - HD2 LYS 12 far 0 71 0 - 8.2-9.7 HB3 LYS 33 - HD2 LYS 12 far 0 72 0 - 8.3-12.1 HB2 GLU 17 - HD3 LYS 24 far 0 45 0 - 8.5-11.6 HB2 ARG 19 - HD2 LYS 12 far 0 47 0 - 8.6-11.6 HB3 ARG 19 - HD3 LYS 90 far 0 84 0 - 8.6-10.9 HB2 GLU 17 - HB3 ARG 91 far 0 95 0 - 8.7-9.5 HB2 LYS 13 - HD3 LYS 90 far 0 83 0 - 8.7-11.4 HB3 LYS 33 - HD3 LYS 12 far 0 72 0 - 8.7-11.8 HB2 GLU 17 - HD2 LYS 24 far 0 46 0 - 8.8-11.8 HB2 LYS 94 - HD3 LYS 90 far 0 84 0 - 8.8-10.7 HB2 GLU 17 - HG12 ILE 15 far 0 81 0 - 8.8-9.6 HB2 LYS 13 - HD2 LYS 20 far 0 98 0 - 8.9-10.2 HB3 ARG 19 - HD3 LYS 13 far 0 48 0 - 8.9-12.8 HB3 LYS 24 - HD3 LYS 20 far 0 57 0 - 9.0-11.2 HB2 LYS 33 - HG12 ILE 15 far 0 88 0 - 9.1-10.7 HB3 LYS 24 - HD2 LYS 20 far 0 59 0 - 9.1-11.3 HB3 LYS 20 - HD3 LYS 13 far 0 46 0 - 9.1-12.9 HB3 LYS 20 - HD2 LYS 13 far 0 50 0 - 9.2-14.4 HB3 ARG 19 - HD2 LYS 13 far 0 51 0 - 9.2-12.9 HB2 LYS 13 - HD3 LYS 20 far 0 96 0 - 9.3-11.6 HG LEU 42 - HD2 LYS 73 far 0 36 0 - 9.3-12.5 HB2 LYS 20 - HD2 LYS 13 far 0 28 0 - 9.3-14.4 HB3 LEU 14 - HD2 LYS 20 far 0 87 0 - 9.4-10.8 HB2 LYS 24 - HD3 LYS 90 far 0 45 0 - 9.4-10.6 HB2 LYS 20 - HD3 LYS 13 far 0 26 0 - 9.5-13.6 HB3 MET 74 - HD2 LYS 47 far 0 61 0 - 9.7-13.9 HB2 LYS 33 - HD2 LYS 12 far 0 73 0 - 9.7-13.3 HB3 ARG 46 - HD2 LYS 39 far 0 36 0 - 9.8-11.3 HB3 LEU 14 - HD3 LYS 20 far 0 85 0 - 9.8-12.0 HB3 ARG 46 - HD2 LYS 73 far 0 29 0 - 9.9-14.7 HB2 GLU 43 - HD2 LYS 73 far 0 45 0 - 9.9-15.4 HB2 LYS 73 - HD2 LYS 68 far 0 27 0 - 9.9-12.0 HB3 MET 74 - HD3 LYS 47 far 0 61 0 - 10.0-13.0 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 68 assignments used, quality = 1.00: HB2 ARG 91 + HB3 ARG 91 OK 100 100 100 100 1.8-1.8 1.8=100 * HG2 LYS 47 + HD3 LYS 47 OK 92 100 100 92 2.3-2.6 3.0=55, 12088/12090=9...(62) HG2 LYS 47 + HD2 LYS 47 OK 50 100 55 91 2.3-3.0 3.0=55, 1.8/2175=13...(64) HG2 LYS 73 + HD2 LYS 73 OK 33 53 70 89 2.3-3.0 3.0=56, 1.8/3278=9...(57) HG3 LYS 13 + HD3 LYS 13 OK 29 48 70 88 2.3-3.0 3.0=56, 486/5.5=9...(32) HG3 LYS 13 + HD2 LYS 13 OK 29 51 65 88 2.3-3.0 3.0=56, 486/5.5=9...(32) HG3 ARG 91 + HB3 ARG 91 OK 28 59 60 80 2.3-3.0 2.8=62, 4.8/7443=13...(9) HG2 LYS 20 + HD3 LYS 20 OK 26 65 50 81 2.4-2.9 2.8=62, 883/5.3=6...(33) HG3 LYS 24 + HD2 LYS 24 OK 26 46 65 87 2.3-3.0 3.0=56, 1096/4.9=11...(38) HG2 LYS 20 + HD2 LYS 20 OK 25 67 45 83 2.2-3.0 2.8=62, 883/5.3=6...(36) HG2 LYS 73 + HD3 LYS 73 OK 24 50 55 87 2.4-3.0 3.0=56, 1.8/3278=9...(50) HG3 LYS 24 + HD3 LYS 24 OK 24 45 60 88 2.3-3.0 3.0=56, 1096/4.9=11...(45) HG LEU 64 - HD2 LYS 68 poor 11 43 25 - 2.2-5.1 HB ILE 7 - HG12 ILE 15 far 0 62 0 - 4.8-6.0 HG2 LYS 73 - HD2 LYS 39 far 0 64 0 - 4.8-9.7 HB2 LEU 14 - HG12 ILE 15 far 0 62 0 - 4.9-7.2 HB3 LEU 64 - HD2 LYS 68 far 0 46 0 - 5.1-8.1 HG2 LYS 20 - HD3 LYS 24 far 0 29 0 - 5.3-10.4 HB2 LEU 38 - HD2 LYS 39 far 0 34 0 - 5.5-8.2 HG3 LYS 13 - HD3 LYS 12 far 0 73 0 - 5.8-7.4 HG2 LYS 20 - HD2 LYS 24 far 0 30 0 - 5.9-9.0 HG2 LYS 20 - HD3 LYS 90 far 0 52 0 - 6.0-10.5 HB2 ARG 91 - HD3 LYS 90 far 0 84 0 - 6.1-7.4 HB2 LEU 14 - HD2 LYS 13 far 0 33 0 - 6.2-8.2 HG3 LYS 33 - HG12 ILE 15 far 0 85 0 - 6.3-8.1 HB2 LEU 14 - HD3 LYS 13 far 0 30 0 - 6.4-8.4 HG3 LYS 13 - HD2 LYS 12 far 0 73 0 - 6.5-8.1 HG3 LYS 24 - HD3 LYS 20 far 0 91 0 - 7.0-12.0 HB2 LEU 14 - HD3 LYS 90 far 0 57 0 - 7.1-10.0 HG LEU 38 - HD2 LYS 39 far 0 39 0 - 7.4-9.1 HG3 LYS 24 - HD2 LYS 20 far 0 92 0 - 7.5-11.1 HG2 LYS 66 - HD2 LYS 68 far 0 46 0 - 7.5-9.4 HG3 LYS 33 - HD2 LYS 12 far 0 69 0 - 7.6-10.8 HD2 LYS 82 - HD2 LYS 68 far 0 28 0 - 7.9-10.6 HD2 LYS 40 - HD2 LYS 39 far 0 46 0 - 7.9-10.4 HG LEU 57 - HB3 ARG 91 far 0 99 0 - 8.0-8.4 HG3 LYS 13 - HG12 ILE 15 far 0 89 0 - 8.1-9.8 HG3 LYS 33 - HD3 LYS 12 far 0 69 0 - 8.1-10.5 HG2 LYS 20 - HD3 LYS 13 far 0 27 0 - 8.1-13.0 HB2 LEU 14 - HD2 LYS 12 far 0 49 0 - 8.1-10.7 HB2 LEU 14 - HD3 LYS 12 far 0 49 0 - 8.2-9.7 HG3 ARG 91 - HD3 LYS 90 far 0 44 0 - 8.3-9.8 HD3 LYS 40 - HD2 LYS 39 far 0 47 0 - 8.5-11.4 HG3 LYS 13 - HD2 LYS 20 far 0 98 0 - 8.6-10.1 HG13 ILE 52 - HD3 LYS 47 far 0 70 0 - 8.7-11.3 HG3 LYS 13 - HD3 LYS 20 far 0 97 0 - 8.7-11.5 HG2 LYS 20 - HD2 LYS 13 far 0 29 0 - 8.7-13.4 HB2 LEU 27 - HD2 LYS 24 far 0 30 0 - 8.8-11.3 HG12 ILE 56 - HD2 LYS 68 far 0 21 0 - 9.0-10.8 HG LEU 57 - HG12 ILE 15 far 0 87 0 - 9.0-10.3 HG LEU 57 - HD3 LYS 90 far 0 81 0 - 9.0-11.0 HG3 LYS 66 - HD2 LYS 68 far 0 46 0 - 9.0-10.8 HG2 LYS 73 - HD2 LYS 68 far 0 46 0 - 9.2-11.6 HB2 LEU 38 - HD2 LYS 73 far 0 28 0 - 9.3-12.7 HG2 LYS 66 - HD2 LYS 73 far 0 53 0 - 9.4-12.9 HB2 LEU 14 - HD2 LYS 20 far 0 72 0 - 9.4-11.0 HB2 LEU 27 - HD3 LYS 24 far 0 29 0 - 9.4-11.8 HG2 LYS 20 - HD2 LYS 12 far 0 44 0 - 9.4-13.7 HG3 LYS 66 - HD2 LYS 39 far 0 64 0 - 9.5-11.7 HG3 LYS 66 - HD2 LYS 73 far 0 53 0 - 9.6-12.5 HB2 LEU 14 - HD3 LYS 20 far 0 71 0 - 9.7-12.0 HG2 LYS 20 - HD3 LYS 12 far 0 44 0 - 9.7-14.1 HB ILE 7 - HD3 LYS 90 far 0 57 0 - 9.8-12.1 HG LEU 38 - HD2 LYS 68 far 0 28 0 - 9.8-11.4 HG2 LYS 20 - HG12 ILE 15 far 0 56 0 - 9.8-11.9 HB ILE 7 - HD3 LYS 12 far 0 49 0 - 9.9-12.6 HB ILE 7 - HD3 LYS 20 far 0 71 0 - 9.9-12.7 HG2 LYS 66 - HD3 LYS 73 far 0 50 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 2195 from cnoeabs.peaks (1.62, 1.68, 29.28 ppm; 2.40 A): 9 out of 69 assignments used, quality = 1.00: HG3 LYS 47 + HD2 LYS 47 OK 92 100 100 92 2.4-2.7 3.0=53, 2175/1.8=7...(65) HD3 LYS 39 + HD2 LYS 39 OK 54 54 100 100 1.8-1.8 1.8=100 HD3 LYS 68 + HD2 LYS 68 OK 30 30 100 100 1.8-1.8 1.8=100 HG3 LYS 73 + HD2 LYS 73 OK 30 40 85 87 2.2-3.0 3.0=54, 2174/1.8=8...(64) HG3 LYS 12 + HD2 LYS 12 OK 28 53 60 89 2.3-3.0 3.0=52, 464/3.0=14...(34) * HG3 LYS 47 + HD3 LYS 47 OK 27 100 30 91 2.4-3.0 3.0=53, 2175/1.8=12...(60) HG2 LYS 68 + HD2 LYS 68 OK 25 38 75 89 2.3-3.0 3.0=53, 3014/3.5=7...(38) HG3 LYS 12 + HD3 LYS 12 OK 21 53 45 90 2.5-3.0 3.0=52, 464/3.0=14...(35) HG3 LYS 73 + HD3 LYS 73 OK 21 38 65 85 2.3-3.0 3.0=54, 2174/1.8=8...(57) HG2 LYS 24 - HD3 LYS 24 poor 16 27 60 - 2.3-3.0 HG2 LYS 24 - HD2 LYS 24 poor 13 28 45 - 2.3-3.0 HG3 LYS 90 - HD3 LYS 90 poor 11 45 25 - 2.5-2.8 HD3 LYS 39 - HD2 LYS 73 far 0 45 0 - 3.7-9.0 HD2 LYS 39 - HD2 LYS 73 far 0 32 0 - 4.0-10.2 HG2 ARG 19 - HD3 LYS 20 far 0 59 0 - 4.4-9.2 HD3 LYS 94 - HB3 ARG 91 far 0 87 0 - 4.7-8.2 HG3 LYS 90 - HD3 LYS 20 far 0 57 0 - 5.0-8.2 HD2 LYS 94 - HD3 LYS 24 far 0 52 0 - 5.0-11.0 HG3 LYS 73 - HD2 LYS 39 far 0 49 0 - 5.0-11.0 HG2 ARG 19 - HG12 ILE 15 far 0 51 0 - 5.2-7.2 HG2 ARG 19 - HD2 LYS 20 far 0 61 0 - 5.2-8.4 HD3 LYS 39 - HD3 LYS 73 far 0 42 0 - 5.4-9.7 HD2 LYS 94 - HB3 ARG 91 far 0 100 0 - 5.5-9.1 HG2 ARG 19 - HD3 LYS 12 far 0 40 0 - 5.6-11.5 HD2 LYS 39 - HD3 LYS 73 far 0 30 0 - 5.6-10.7 HG3 LYS 90 - HD2 LYS 20 far 0 59 0 - 5.8-8.1 HB2 LYS 40 - HD2 LYS 39 far 0 49 0 - 5.8-8.2 HD2 LYS 94 - HD2 LYS 24 far 0 53 0 - 6.0-11.2 HD3 LYS 94 - HD3 LYS 24 far 0 39 0 - 6.0-12.8 HD3 LYS 94 - HD3 LYS 90 far 0 67 0 - 6.2-11.7 HG3 LYS 90 - HD3 LYS 24 far 0 25 0 - 6.2-9.4 HG2 ARG 19 - HD2 LYS 12 far 0 40 0 - 6.7-10.0 HG3 LYS 90 - HD2 LYS 24 far 0 26 0 - 6.7-10.1 HG3 LYS 12 - HD2 LYS 13 far 0 36 0 - 7.0-9.4 HG3 LYS 12 - HD3 LYS 13 far 0 33 0 - 7.0-9.7 HD3 LYS 94 - HD2 LYS 24 far 0 40 0 - 7.1-12.9 HD2 LYS 66 - HD2 LYS 73 far 0 43 0 - 7.2-11.6 HG3 LYS 90 - HB3 ARG 91 far 0 61 0 - 7.2-7.5 HG2 LYS 24 - HD3 LYS 20 far 0 61 0 - 7.2-12.3 HD2 LYS 94 - HD3 LYS 90 far 0 84 0 - 7.3-11.7 HG3 LYS 12 - HG12 ILE 15 far 0 67 0 - 7.3-8.1 HD2 LYS 66 - HD2 LYS 39 far 0 52 0 - 7.9-12.5 HB3 LEU 29 - HD3 LYS 20 far 0 79 0 - 7.9-11.2 HD2 LYS 66 - HD3 LYS 73 far 0 41 0 - 7.9-12.4 HG2 LYS 24 - HD2 LYS 20 far 0 63 0 - 8.1-11.6 HB ILE 76 - HD2 LYS 73 far 0 42 0 - 8.5-11.5 HG LEU 27 - HD2 LYS 24 far 0 40 0 - 8.8-11.0 HG2 ARG 19 - HD3 LYS 13 far 0 25 0 - 8.8-14.6 HB3 LEU 6 - HG12 ILE 15 far 0 70 0 - 8.8-10.5 HG LEU 27 - HD3 LYS 24 far 0 39 0 - 8.8-11.1 HD2 LYS 66 - HD2 LYS 68 far 0 37 0 - 9.0-10.6 HG3 LYS 73 - HD2 LYS 68 far 0 35 0 - 9.0-11.9 HB ILE 76 - HD3 LYS 73 far 0 40 0 - 9.1-11.5 HB2 ARG 30 - HG12 ILE 15 far 0 79 0 - 9.1-11.2 HB3 LEU 29 - HD2 LYS 20 far 0 81 0 - 9.1-10.9 HB3 LEU 29 - HD2 LYS 24 far 0 38 0 - 9.1-11.9 HB3 LEU 29 - HG12 ILE 15 far 0 70 0 - 9.4-10.8 HG2 ARG 19 - HD3 LYS 90 far 0 47 0 - 9.5-11.7 HB3 ARG 79 - HD2 LYS 68 far 0 28 0 - 9.5-11.7 HG2 ARG 19 - HD2 LYS 13 far 0 26 0 - 9.5-15.1 HB ILE 76 - HD2 LYS 39 far 0 51 0 - 9.6-11.7 HG2 LYS 68 - HD2 LYS 73 far 0 44 0 - 9.6-12.1 HB3 LEU 29 - HD3 LYS 24 far 0 37 0 - 9.6-12.9 HG3 LYS 90 - HD2 LYS 13 far 0 25 0 - 9.6-13.1 HG2 LYS 68 - HD3 LYS 73 far 0 42 0 - 9.6-12.4 HG2 ARG 19 - HD2 LYS 24 far 0 27 0 - 9.7-13.2 HG2 ARG 19 - HD3 LYS 24 far 0 26 0 - 9.7-14.3 HG3 LYS 12 - HD2 LYS 20 far 0 78 0 - 9.8-11.8 HG3 LYS 90 - HD3 LYS 13 far 0 24 0 - 9.9-12.9 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): 22 out of 79 assignments used, quality = 1.00: * HE2 LYS 47 + HD3 LYS 47 OK 100 100 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 12 + HD3 LYS 12 OK 72 72 100 100 2.3-3.0 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 2.3-3.0 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 2.3-3.0 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 2.5-3.0 2.9=100 HE3 LYS 13 + HD2 LYS 13 OK 46 46 100 100 2.3-3.0 2.9=100 HE2 LYS 12 + HD3 LYS 12 OK 46 46 100 100 2.3-3.0 3.0=100 HE2 LYS 12 + HD2 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 2.2-3.0 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 2.5-3.0 2.9=100 HE2 LYS 73 + HD2 LYS 73 OK 41 41 100 100 2.5-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 39 39 100 100 2.3-3.0 3.0=100 HB2 SER 9 + HG12 ILE 15 OK 37 81 50 91 3.1-4.6 8444/1.8=29, 8320=26...(15) HE3 LYS 73 + HD2 LYS 73 OK 36 36 100 100 2.3-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 34 34 100 100 2.5-3.0 3.0=100 HE2 LYS 73 - HD2 LYS 39 far 0 50 0 - 3.9-12.4 HE3 LYS 73 - HD2 LYS 39 far 0 44 0 - 4.0-12.2 HG2 MET 21 - HD3 LYS 90 far 0 52 0 - 4.2-5.4 HB3 ASP 11 - HD2 LYS 13 far 0 43 0 - 4.4-7.2 HE3 LYS 90 - HD3 LYS 20 far 0 57 0 - 4.4-8.4 HE2 LYS 12 - HG12 ILE 15 far 0 58 0 - 4.5-8.3 HB3 ASP 11 - HG12 ILE 15 far 0 78 0 - 4.6-7.1 HE3 LYS 12 - HG12 ILE 15 far 0 87 0 - 4.6-8.2 HG2 MET 21 - HD3 LYS 24 far 0 29 0 - 5.1-8.0 HG2 MET 21 - HD2 LYS 24 far 0 30 0 - 5.5-8.4 HE3 LYS 90 - HD2 LYS 20 far 0 59 0 - 5.6-8.5 HB3 ASP 11 - HD3 LYS 12 far 0 63 0 - 5.6-8.1 HB3 ASP 11 - HD3 LYS 13 far 0 40 0 - 5.6-7.5 HB3 ASP 11 - HD2 LYS 12 far 0 63 0 - 5.6-8.7 HE3 LYS 24 - HD3 LYS 20 far 0 94 0 - 5.8-12.5 HG2 MET 21 - HD3 LYS 20 far 0 65 0 - 6.0-9.1 HE2 LYS 24 - HD3 LYS 20 far 0 94 0 - 6.1-12.3 HB2 SER 9 - HD2 LYS 12 far 0 66 0 - 6.1-11.1 HB2 SER 9 - HD3 LYS 12 far 0 66 0 - 6.2-9.5 HE3 LYS 13 - HD3 LYS 12 far 0 67 0 - 6.5-10.7 HE2 LYS 13 - HD2 LYS 20 far 0 95 0 - 6.5-12.1 HG2 MET 21 - HB3 ARG 91 far 0 69 0 - 6.9-7.5 HE3 LYS 24 - HD2 LYS 20 far 0 96 0 - 6.9-12.0 HG2 MET 21 - HD2 LYS 20 far 0 67 0 - 6.9-9.4 HE3 LYS 90 - HD2 LYS 24 far 0 26 0 - 7.1-11.6 HE3 LYS 13 - HD2 LYS 12 far 0 67 0 - 7.1-11.2 HB2 PHE 45 - HD3 LYS 47 far 0 99 0 - 7.2-8.6 HE2 LYS 13 - HD2 LYS 12 far 0 68 0 - 7.2-12.0 HE3 LYS 90 - HD3 LYS 24 far 0 25 0 - 7.3-10.7 HE3 LYS 12 - HD3 LYS 13 far 0 47 0 - 7.3-11.8 HB3 PHE 45 - HD3 LYS 47 far 0 100 0 - 7.3-9.1 HE3 LYS 90 - HB3 ARG 91 far 0 61 0 - 7.4-8.9 HE3 LYS 13 - HD3 LYS 90 far 0 77 0 - 7.4-13.8 HE2 LYS 13 - HD3 LYS 12 far 0 68 0 - 7.5-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 96 0 - 7.5-11.7 HE2 LYS 13 - HD3 LYS 20 far 0 93 0 - 7.5-13.3 HE3 LYS 13 - HD2 LYS 20 far 0 93 0 - 7.5-11.8 HE2 LYS 12 - HD2 LYS 13 far 0 30 0 - 7.6-11.5 HE3 LYS 13 - HD3 LYS 20 far 0 92 0 - 7.6-13.1 HE3 LYS 12 - HD2 LYS 13 far 0 50 0 - 7.7-11.9 HE3 LYS 90 - HD2 LYS 13 far 0 25 0 - 7.7-13.0 HB2 PHE 45 - HD2 LYS 47 far 0 99 0 - 7.8-9.3 HE3 LYS 90 - HD3 LYS 13 far 0 24 0 - 8.0-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 97 0 - 8.1-13.3 HB3 PHE 45 - HD2 LYS 47 far 0 100 0 - 8.2-9.6 HE3 LYS 12 - HD3 LYS 20 far 0 96 0 - 8.2-14.3 HE2 LYS 12 - HD3 LYS 13 far 0 28 0 - 8.4-11.8 HE2 LYS 13 - HD3 LYS 90 far 0 79 0 - 8.4-13.0 HE3 LYS 24 - HD3 LYS 90 far 0 80 0 - 8.9-13.3 HE3 LYS 73 - HD2 LYS 68 far 0 31 0 - 9.5-14.4 HB2 SER 9 - HD2 LYS 13 far 0 45 0 - 9.5-12.2 HE2 LYS 24 - HD3 LYS 90 far 0 80 0 - 9.6-13.5 HE2 LYS 73 - HD2 LYS 68 far 0 36 0 - 9.7-14.6 HE3 LYS 13 - HG12 ILE 15 far 0 82 0 - 9.7-12.9 HB3 ASP 11 - HD3 LYS 90 far 0 72 0 - 9.7-13.1 HE2 LYS 12 - HD2 LYS 20 far 0 69 0 - 9.9-12.6 HE2 LYS 12 - HD3 LYS 20 far 0 67 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 2199 from cnoeabs.peaks (2.97, 1.68, 29.28 ppm; 3.25 A): 22 out of 79 assignments used, quality = 1.00: HE2 LYS 47 + HD3 LYS 47 OK 100 100 100 100 2.3-3.0 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 2.3-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 12 + HD3 LYS 12 OK 72 72 100 100 2.3-3.0 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 2.3-3.0 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 2.3-3.0 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 2.5-3.0 2.9=100 HE3 LYS 13 + HD2 LYS 13 OK 46 46 100 100 2.3-3.0 2.9=100 HE2 LYS 12 + HD3 LYS 12 OK 46 46 100 100 2.3-3.0 3.0=100 HE2 LYS 12 + HD2 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 2.2-3.0 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 2.5-3.0 2.9=100 HE2 LYS 73 + HD2 LYS 73 OK 41 41 100 100 2.5-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 39 39 100 100 2.3-3.0 3.0=100 HB2 SER 9 + HG12 ILE 15 OK 37 81 50 91 3.1-4.6 8444/1.8=29, 8320=26...(15) HE3 LYS 73 + HD2 LYS 73 OK 36 36 100 100 2.3-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 34 34 100 100 2.5-3.0 3.0=100 HE2 LYS 73 - HD2 LYS 39 far 0 50 0 - 3.9-12.4 HE3 LYS 73 - HD2 LYS 39 far 0 44 0 - 4.0-12.2 HG2 MET 21 - HD3 LYS 90 far 0 52 0 - 4.2-5.4 HB3 ASP 11 - HD2 LYS 13 far 0 43 0 - 4.4-7.2 HE3 LYS 90 - HD3 LYS 20 far 0 57 0 - 4.4-8.4 HE2 LYS 12 - HG12 ILE 15 far 0 58 0 - 4.5-8.3 HB3 ASP 11 - HG12 ILE 15 far 0 78 0 - 4.6-7.1 HE3 LYS 12 - HG12 ILE 15 far 0 87 0 - 4.6-8.2 HG2 MET 21 - HD3 LYS 24 far 0 29 0 - 5.1-8.0 HG2 MET 21 - HD2 LYS 24 far 0 30 0 - 5.5-8.4 HE3 LYS 90 - HD2 LYS 20 far 0 59 0 - 5.6-8.5 HB3 ASP 11 - HD3 LYS 12 far 0 63 0 - 5.6-8.1 HB3 ASP 11 - HD3 LYS 13 far 0 40 0 - 5.6-7.5 HB3 ASP 11 - HD2 LYS 12 far 0 63 0 - 5.6-8.7 HE3 LYS 24 - HD3 LYS 20 far 0 94 0 - 5.8-12.5 HG2 MET 21 - HD3 LYS 20 far 0 65 0 - 6.0-9.1 HE2 LYS 24 - HD3 LYS 20 far 0 94 0 - 6.1-12.3 HB2 SER 9 - HD2 LYS 12 far 0 66 0 - 6.1-11.1 HB2 SER 9 - HD3 LYS 12 far 0 66 0 - 6.2-9.5 HE3 LYS 13 - HD3 LYS 12 far 0 67 0 - 6.5-10.7 HE2 LYS 13 - HD2 LYS 20 far 0 95 0 - 6.5-12.1 HG2 MET 21 - HB3 ARG 91 far 0 69 0 - 6.9-7.5 HE3 LYS 24 - HD2 LYS 20 far 0 96 0 - 6.9-12.0 HG2 MET 21 - HD2 LYS 20 far 0 67 0 - 6.9-9.4 HE3 LYS 90 - HD2 LYS 24 far 0 26 0 - 7.1-11.6 HE3 LYS 13 - HD2 LYS 12 far 0 67 0 - 7.1-11.2 HB2 PHE 45 - HD3 LYS 47 far 0 99 0 - 7.2-8.6 HE2 LYS 13 - HD2 LYS 12 far 0 68 0 - 7.2-12.0 HE3 LYS 90 - HD3 LYS 24 far 0 25 0 - 7.3-10.7 HE3 LYS 12 - HD3 LYS 13 far 0 47 0 - 7.3-11.8 HB3 PHE 45 - HD3 LYS 47 far 0 100 0 - 7.3-9.1 HE3 LYS 90 - HB3 ARG 91 far 0 61 0 - 7.4-8.9 HE3 LYS 13 - HD3 LYS 90 far 0 77 0 - 7.4-13.8 HE2 LYS 13 - HD3 LYS 12 far 0 68 0 - 7.5-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 96 0 - 7.5-11.7 HE2 LYS 13 - HD3 LYS 20 far 0 93 0 - 7.5-13.3 HE3 LYS 13 - HD2 LYS 20 far 0 93 0 - 7.5-11.8 HE2 LYS 12 - HD2 LYS 13 far 0 30 0 - 7.6-11.5 HE3 LYS 13 - HD3 LYS 20 far 0 92 0 - 7.6-13.1 HE3 LYS 12 - HD2 LYS 13 far 0 50 0 - 7.7-11.9 HE3 LYS 90 - HD2 LYS 13 far 0 25 0 - 7.7-13.0 HB2 PHE 45 - HD2 LYS 47 far 0 99 0 - 7.8-9.3 HE3 LYS 90 - HD3 LYS 13 far 0 24 0 - 8.0-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 97 0 - 8.1-13.3 HB3 PHE 45 - HD2 LYS 47 far 0 100 0 - 8.2-9.6 HE3 LYS 12 - HD3 LYS 20 far 0 96 0 - 8.2-14.3 HE2 LYS 12 - HD3 LYS 13 far 0 28 0 - 8.4-11.8 HE2 LYS 13 - HD3 LYS 90 far 0 79 0 - 8.4-13.0 HE3 LYS 24 - HD3 LYS 90 far 0 80 0 - 8.9-13.3 HE3 LYS 73 - HD2 LYS 68 far 0 31 0 - 9.5-14.4 HB2 SER 9 - HD2 LYS 13 far 0 45 0 - 9.5-12.2 HE2 LYS 24 - HD3 LYS 90 far 0 80 0 - 9.6-13.5 HE2 LYS 73 - HD2 LYS 68 far 0 36 0 - 9.7-14.6 HE3 LYS 13 - HG12 ILE 15 far 0 82 0 - 9.7-12.9 HB3 ASP 11 - HD3 LYS 90 far 0 72 0 - 9.7-13.1 HE2 LYS 12 - HD2 LYS 20 far 0 69 0 - 9.9-12.6 HE2 LYS 12 - HD3 LYS 20 far 0 67 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 2200 from cnoeabs.peaks (7.62, 1.68, 29.28 ppm; 6.23 A increased from 5.86 A): 5 out of 12 assignments used, quality = 1.00: * H GLU 48 + HD3 LYS 47 OK 100 100 100 100 4.5-6.4 6783/3.9=95, 6784/3.0=93...(9) H GLU 48 + HD2 LYS 47 OK 100 100 100 100 4.9-6.3 6783/3.9=95, 6784/3.0=93...(9) H GLU 44 + HD3 LYS 47 OK 97 97 100 100 5.3-6.2 ~12088=68, ~12089=66...(16) H LYS 40 + HD2 LYS 39 OK 56 56 100 100 4.9-6.0 6620/3.6=90, 6621/3.6=86...(9) H GLU 44 + HD2 LYS 47 OK 53 97 55 100 5.0-7.2 ~12088=68, ~12089=66...(15) HD22 ASN 10 - HD2 LYS 12 far 4 71 5 - 5.9-12.7 HD22 ASN 10 - HD3 LYS 12 far 4 71 5 - 6.2-11.6 HD22 ASN 10 - HG12 ILE 15 far 0 87 0 - 7.6-9.9 HE22 GLN 50 - HD3 LYS 47 far 0 99 0 - 8.4-16.7 HE22 GLN 50 - HD2 LYS 47 far 0 99 0 - 8.7-15.7 H GLU 44 - HD2 LYS 39 far 0 58 0 - 9.1-10.3 H LYS 40 - HD2 LYS 73 far 0 46 0 - 9.5-13.7 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 = 0.94: H LYS 47 + HE3 LYS 47 OK 85 100 85 100 3.7-5.9 6773/3.8=88, 6772/3.8=82...(29) * H LYS 47 + HE2 LYS 47 OK 60 100 60 100 3.9-6.1 6773/3.8=88, 6772/3.8=82...(28) HE ARG 46 - HE3 LYS 47 far 5 100 5 - 5.3-13.1 HE ARG 19 - HE3 LYS 12 far 4 88 5 - 5.3-13.0 HE22 GLN 72 - HE3 LYS 73 far 2 40 5 - 5.5-11.9 HE ARG 46 - HE2 LYS 47 far 0 100 0 - 6.9-12.2 HE22 GLN 72 - HE2 LYS 73 far 0 50 0 - 7.0-11.2 HD22 ASN 26 - HE3 LYS 24 far 0 95 0 - 7.3-11.9 HD22 ASN 26 - HE2 LYS 24 far 0 95 0 - 7.9-11.9 HE ARG 46 - HE2 LYS 73 far 0 76 0 - 9.1-13.6 HE ARG 19 - HE3 LYS 24 far 0 84 0 - 9.5-17.7 H ARG 91 - HE2 LYS 24 far 0 96 0 - 9.5-14.5 HE ARG 46 - HE3 LYS 73 far 0 63 0 - 9.7-13.2 H ARG 91 - HE3 LYS 24 far 0 96 0 - 10.0-14.2 Violated in 0 structures by 0.00 A. Peak 2202 from cnoeabs.peaks (4.14, 2.97, 41.80 ppm; 5.01 A increased from 4.01 A): 6 out of 11 assignments used, quality = 1.00: HA LYS 47 + HE3 LYS 47 OK 90 100 90 100 2.3-6.1 2126/3.8=57, 2127/3.8=55...(80) HA LYS 13 + HE3 LYS 13 OK 78 87 90 100 2.5-6.1 486/3.8=80, 518/3.8=72...(50) HA LYS 13 + HE2 LYS 13 OK 72 90 80 100 2.1-6.0 486/3.8=80, 518/3.8=72...(50) * HA LYS 47 + HE2 LYS 47 OK 60 100 60 100 2.3-6.0 2126/3.8=57, 2127/3.8=55...(79) HA LYS 73 + HE2 LYS 73 OK 38 54 70 100 3.2-5.9 6.7=42, 3232/4.0=38...(63) HA LYS 73 + HE3 LYS 73 OK 24 44 55 100 2.8-6.4 6.7=42, 3232/4.0=38...(64) HA GLU 23 - HE3 LYS 24 far 5 95 5 - 4.4-10.2 HA LYS 13 - HE3 LYS 12 far 0 95 0 - 5.8-9.0 HA GLU 23 - HE2 LYS 24 far 0 95 0 - 5.9-10.3 HA GLN 72 - HE3 LYS 73 far 0 59 0 - 6.9-9.6 HA GLN 72 - HE2 LYS 73 far 0 72 0 - 7.4-9.5 Violated in 0 structures by 0.00 A. Peak 2203 from cnoeabs.peaks (1.97, 2.97, 41.80 ppm; 3.80 A increased from 3.38 A): 10 out of 45 assignments used, quality = 1.00: HB2 LYS 47 + HE3 LYS 47 OK 95 100 95 100 2.0-4.7 4.9=48, 1.8/2154=31...(106) * HB2 LYS 47 + HE2 LYS 47 OK 85 100 85 100 2.0-4.6 4.9=48, 1.8/2154=29...(105) HB3 LYS 73 + HE2 LYS 73 OK 64 72 90 99 2.5-4.3 4.9=47, 3.0/3235=11...(104) HB3 LYS 73 + HE3 LYS 73 OK 47 59 80 100 2.4-4.5 4.9=47, 1081/1.8=12...(106) HB2 LYS 24 + HE2 LYS 24 OK 33 95 35 100 3.1-5.1 3.0/12306=53, 4.9=46...(96) HB2 LYS 73 + HE2 LYS 73 OK 32 72 45 100 2.3-5.3 4.9=47, 7205/7.0=16...(117) HB2 LYS 73 + HE3 LYS 73 OK 30 59 50 100 2.7-5.1 4.9=47, 7205/7.0=16...(119) HB2 LYS 24 + HE3 LYS 24 OK 28 95 30 100 2.4-5.0 4.9=46, ~12306=36...(95) HB3 LYS 24 + HE2 LYS 24 OK 24 95 25 100 2.6-4.8 3.0/12306=53, 4.9=46...(98) HB3 LYS 24 + HE3 LYS 24 OK 24 95 25 100 2.2-5.5 4.9=46, ~12306=36...(99) HB3 GLU 44 - HE2 LYS 47 far 4 73 5 - 3.5-7.9 HB2 ARG 46 - HE3 LYS 47 far 0 100 0 - 4.1-9.5 QE MET 74 - HE3 LYS 73 far 0 38 0 - 4.1-9.4 HB2 GLU 44 - HE2 LYS 47 far 0 73 0 - 4.2-8.6 HB3 GLU 44 - HE3 LYS 47 far 0 73 0 - 4.4-8.1 HB3 LYS 20 - HE2 LYS 24 far 0 62 0 - 4.4-9.6 HB3 LYS 20 - HE3 LYS 24 far 0 62 0 - 4.6-9.9 HB3 ARG 46 - HE3 LYS 47 far 0 99 0 - 4.6-8.3 HB3 MET 74 - HE3 LYS 73 far 0 62 0 - 5.1-10.0 QE MET 74 - HE2 LYS 73 far 0 47 0 - 5.6-9.8 HB2 ARG 46 - HE2 LYS 47 far 0 100 0 - 5.6-9.7 HB2 GLU 44 - HE3 LYS 47 far 0 73 0 - 5.8-8.9 HB3 GLU 17 - HE3 LYS 13 far 0 50 0 - 6.1-10.5 HB3 ARG 46 - HE2 LYS 47 far 0 99 0 - 6.1-8.5 HB3 MET 74 - HE2 LYS 73 far 0 75 0 - 6.5-9.9 HB3 ARG 19 - HE3 LYS 12 far 0 56 0 - 6.6-11.9 HB2 GLU 17 - HE3 LYS 13 far 0 69 0 - 6.7-11.6 HB3 GLU 17 - HE2 LYS 13 far 0 52 0 - 6.7-10.5 HB2 GLU 17 - HE2 LYS 13 far 0 72 0 - 7.5-11.7 QE MET 74 - HE2 LYS 47 far 0 71 0 - 7.9-11.0 QE MET 74 - HE3 LYS 47 far 0 71 0 - 7.9-11.0 HB3 ARG 19 - HE3 LYS 24 far 0 53 0 - 8.2-13.6 HB2 GLU 17 - HE3 LYS 24 far 0 75 0 - 8.3-12.9 HB3 GLU 17 - HE3 LYS 12 far 0 58 0 - 8.4-13.0 HB2 GLU 35 - HE2 LYS 73 far 0 38 0 - 8.7-14.4 HB2 GLU 17 - HE2 LYS 24 far 0 75 0 - 9.0-12.7 HB2 GLU 35 - HE3 LYS 73 far 0 30 0 - 9.2-14.1 HB3 ARG 19 - HE2 LYS 24 far 0 53 0 - 9.2-13.7 HB3 ARG 19 - HE2 LYS 13 far 0 51 0 - 9.4-14.5 HB3 LYS 20 - HE2 LYS 13 far 0 60 0 - 9.4-14.2 HB3 LYS 20 - HE3 LYS 13 far 0 57 0 - 9.6-14.5 HB3 GLU 17 - HE3 LYS 24 far 0 55 0 - 9.6-14.4 HB3 ARG 19 - HE3 LYS 13 far 0 48 0 - 9.8-14.5 HB3 LYS 20 - HE3 LYS 12 far 0 65 0 - 9.9-16.5 HB2 GLU 17 - HE3 LYS 12 far 0 78 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 2204 from cnoeabs.peaks (1.92, 2.97, 41.80 ppm; 3.25 A): 5 out of 51 assignments used, quality = 0.83: HB3 LYS 47 + HE3 LYS 47 OK 39 100 40 99 2.1-4.8 4.9=30, 2155/1.8=20...(110) * HB3 LYS 47 + HE2 LYS 47 OK 35 100 35 99 2.7-5.0 4.9=30, 2154/1.8=21...(111) HB3 LYS 13 + HE2 LYS 13 OK 27 91 30 98 2.1-4.7 5.0=27, 3.0/474=14...(77) HB3 LYS 73 + HE2 LYS 73 OK 26 48 55 96 2.5-4.3 4.9=29, 3.0/3235=8...(99) HB3 LYS 13 + HE3 LYS 13 OK 21 87 25 98 2.2-4.8 5.0=27, 3.0/474=16...(76) HB2 LYS 73 - HE2 LYS 73 poor 16 47 35 - 2.3-5.3 HB3 LYS 73 - HE3 LYS 73 poor 12 39 30 - 2.4-4.5 HB3 LYS 24 - HE3 LYS 24 poor 11 55 20 - 2.2-5.5 HB3 LYS 24 - HE2 LYS 24 poor 11 55 20 - 2.6-4.8 HB2 LYS 73 - HE3 LYS 73 poor 8 38 20 - 2.7-5.1 HB2 LYS 24 - HE3 LYS 24 far 5 55 10 - 2.4-5.0 HB2 LYS 24 - HE2 LYS 24 far 5 55 10 - 3.1-5.1 HB2 LYS 13 - HE3 LYS 13 far 4 89 5 - 3.2-5.0 HB2 LYS 13 - HE2 LYS 13 far 0 92 0 - 3.6-5.5 HB2 LYS 20 - HE2 LYS 24 far 0 60 0 - 3.7-9.3 HB2 LYS 20 - HE3 LYS 24 far 0 60 0 - 3.9-10.0 HB3 LYS 20 - HE2 LYS 24 far 0 93 0 - 4.4-9.6 HB3 LYS 20 - HE3 LYS 24 far 0 93 0 - 4.6-9.9 HB3 ARG 46 - HE3 LYS 47 far 0 68 0 - 4.6-8.3 HB2 GLU 43 - HE2 LYS 47 far 0 94 0 - 4.7-8.5 HB3 MET 74 - HE3 LYS 73 far 0 31 0 - 5.1-10.0 HB2 LYS 94 - HE2 LYS 24 far 0 96 0 - 5.4-12.9 HB2 GLU 43 - HE3 LYS 47 far 0 94 0 - 5.8-8.2 HB3 ARG 46 - HE2 LYS 47 far 0 68 0 - 6.1-8.5 HB2 LYS 13 - HE3 LYS 12 far 0 97 0 - 6.4-9.9 HB3 MET 74 - HE2 LYS 73 far 0 39 0 - 6.5-9.9 HB3 ARG 19 - HE3 LYS 12 far 0 98 0 - 6.6-11.9 HB2 GLU 17 - HE3 LYS 13 far 0 82 0 - 6.7-11.6 HB3 LEU 14 - HE3 LYS 12 far 0 85 0 - 6.9-10.2 HB2 LYS 94 - HE3 LYS 24 far 0 96 0 - 7.1-13.1 HB3 LEU 14 - HE3 LYS 13 far 0 76 0 - 7.3-9.7 HB2 GLU 17 - HE2 LYS 13 far 0 85 0 - 7.5-11.7 HB3 LEU 14 - HE2 LYS 13 far 0 79 0 - 7.6-9.8 HB2 ARG 19 - HE3 LYS 12 far 0 69 0 - 7.6-13.0 HB2 ARG 19 - HE3 LYS 24 far 0 66 0 - 7.7-13.6 HB3 LYS 13 - HE3 LYS 12 far 0 96 0 - 7.7-10.8 HB3 LYS 33 - HE3 LYS 12 far 0 96 0 - 7.9-11.0 HB3 ARG 19 - HE3 LYS 24 far 0 95 0 - 8.2-13.6 HB2 GLU 17 - HE3 LYS 24 far 0 88 0 - 8.3-12.9 HG LEU 42 - HE3 LYS 73 far 0 44 0 - 8.9-13.9 HB2 ARG 19 - HE2 LYS 24 far 0 66 0 - 9.0-13.8 HB2 GLU 17 - HE2 LYS 24 far 0 88 0 - 9.0-12.7 HB3 ARG 19 - HE2 LYS 24 far 0 95 0 - 9.2-13.7 HB2 LYS 33 - HE3 LYS 12 far 0 97 0 - 9.2-12.5 HB3 ARG 19 - HE2 LYS 13 far 0 93 0 - 9.4-14.5 HB3 LYS 20 - HE2 LYS 13 far 0 91 0 - 9.4-14.2 HB3 LYS 20 - HE3 LYS 13 far 0 87 0 - 9.6-14.5 HB3 ARG 19 - HE3 LYS 13 far 0 90 0 - 9.8-14.5 HB3 LYS 20 - HE3 LYS 12 far 0 96 0 - 9.9-16.5 HB2 GLU 17 - HE3 LYS 12 far 0 91 0 - 9.9-14.7 HG LEU 42 - HE2 LYS 73 far 0 54 0 - 10.0-14.1 Violated in 1 structures by 0.00 A. Peak 2205 from cnoeabs.peaks (1.49, 2.97, 41.80 ppm; 3.71 A increased from 2.97 A): 8 out of 31 assignments used, quality = 1.00: HG2 LYS 47 + HE3 LYS 47 OK 100 100 100 100 2.4-3.9 3.8=95, 3.0/2155=23...(121) HG3 LYS 24 + HE2 LYS 24 OK 88 88 100 100 2.2-4.0 3.7=99, 3.7/12306=43...(104) HG3 LYS 13 + HE2 LYS 13 OK 87 92 95 100 2.3-4.1 3.8=91, 486/6.0=23...(73) HG3 LYS 13 + HE3 LYS 13 OK 85 89 95 100 2.1-4.2 3.8=91, 486/6.0=23...(72) HG3 LYS 24 + HE3 LYS 24 OK 83 88 95 100 2.3-4.2 3.7=99, 1096/6.2=19...(102) * HG2 LYS 47 + HE2 LYS 47 OK 70 100 70 100 2.3-4.2 3.8=95, 3.0/2154=22...(126) HG2 LYS 73 + HE2 LYS 73 OK 68 76 90 100 2.1-4.2 4.0=80, 3297/3.0=17...(110) HG2 LYS 73 + HE3 LYS 73 OK 56 63 90 100 2.2-4.1 4.0=80, 3297/3.0=17...(109) HG2 LYS 20 - HE3 LYS 24 far 0 62 0 - 5.3-10.7 HG3 LYS 13 - HE3 LYS 12 far 0 97 0 - 5.4-9.4 HG2 LYS 20 - HE2 LYS 24 far 0 62 0 - 5.8-10.7 HB2 LEU 14 - HE3 LYS 13 far 0 62 0 - 6.4-9.1 HB2 LEU 14 - HE2 LYS 13 far 0 65 0 - 6.9-9.5 HG3 LYS 33 - HE3 LYS 12 far 0 94 0 - 7.4-10.5 HB2 LEU 14 - HE3 LYS 12 far 0 71 0 - 8.3-11.4 HB2 LEU 27 - HE3 LYS 24 far 0 62 0 - 8.5-12.9 HG3 LYS 66 - HE2 LYS 73 far 0 76 0 - 8.6-12.8 HB2 LEU 38 - HE2 LYS 73 far 0 42 0 - 8.6-14.9 HG3 LYS 66 - HE3 LYS 73 far 0 63 0 - 8.7-13.0 HG2 LYS 66 - HE2 LYS 73 far 0 76 0 - 8.8-13.2 HB ILE 7 - HE3 LYS 12 far 0 71 0 - 8.9-13.3 HG13 ILE 52 - HE2 LYS 47 far 0 70 0 - 8.9-12.3 HB2 LEU 38 - HE3 LYS 73 far 0 34 0 - 8.9-14.7 HG2 LYS 20 - HE2 LYS 13 far 0 60 0 - 9.0-14.4 HG13 ILE 52 - HE3 LYS 47 far 0 70 0 - 9.0-12.3 HG2 LYS 66 - HE3 LYS 73 far 0 63 0 - 9.0-13.0 HG LEU 38 - HE3 LYS 73 far 0 39 0 - 9.5-14.2 HG2 LYS 20 - HE3 LYS 13 far 0 57 0 - 9.7-14.3 HG2 LYS 20 - HE3 LYS 12 far 0 65 0 - 9.8-15.0 HG LEU 38 - HE2 LYS 73 far 0 48 0 - 9.9-14.2 HG LEU 2 - HE3 LYS 47 far 0 87 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 2206 from cnoeabs.peaks (1.62, 2.97, 41.80 ppm; 3.66 A increased from 2.92 A): 7 out of 34 assignments used, quality = 1.00: * HG3 LYS 47 + HE2 LYS 47 OK 100 100 100 100 2.5-3.9 3.8=91, 2195/3.0=22...(101) HG3 LYS 47 + HE3 LYS 47 OK 95 100 95 100 2.2-4.2 3.8=91, 3.0/2154=23...(101) HG3 LYS 12 + HE3 LYS 12 OK 76 76 100 99 2.2-3.9 4.0=79, ~463=49, ~423=45...(35) HG2 LYS 24 + HE2 LYS 24 OK 58 58 100 100 2.3-3.8 3.7=95, 3.7/12306=42...(83) HG2 LYS 24 + HE3 LYS 24 OK 58 58 100 100 2.1-3.9 3.7=95, 1.8/1103=10...(83) HG3 LYS 73 + HE2 LYS 73 OK 53 59 90 100 2.1-4.2 4.0=76, 3298/3.0=21...(86) HG3 LYS 73 + HE3 LYS 73 OK 41 48 85 100 2.1-4.2 4.0=76, 3298/3.0=21...(86) HD3 LYS 39 - HE3 LYS 73 far 3 53 5 - 3.6-11.5 HD2 LYS 39 - HE2 LYS 73 far 2 48 5 - 3.9-12.4 HD2 LYS 39 - HE3 LYS 73 far 0 39 0 - 4.0-12.2 HD3 LYS 39 - HE2 LYS 73 far 0 65 0 - 4.5-11.6 HG2 ARG 19 - HE3 LYS 12 far 0 60 0 - 5.2-12.1 HD2 LYS 94 - HE2 LYS 24 far 0 96 0 - 5.9-11.9 HG3 LYS 12 - HE3 LYS 13 far 0 67 0 - 6.0-10.1 HG3 LYS 90 - HE3 LYS 24 far 0 55 0 - 6.3-10.6 HD2 LYS 94 - HE3 LYS 24 far 0 96 0 - 6.5-12.2 HG3 LYS 90 - HE2 LYS 24 far 0 55 0 - 7.0-10.9 HD2 LYS 66 - HE3 LYS 73 far 0 51 0 - 7.1-11.8 HD2 LYS 66 - HE2 LYS 73 far 0 63 0 - 7.2-11.5 HG3 LYS 12 - HE2 LYS 13 far 0 70 0 - 7.3-10.3 HD3 LYS 94 - HE2 LYS 24 far 0 79 0 - 7.4-13.6 HD3 LYS 94 - HE3 LYS 24 far 0 79 0 - 7.5-13.8 HB3 LEU 29 - HE3 LYS 24 far 0 76 0 - 8.9-14.2 HG2 LYS 68 - HE2 LYS 73 far 0 64 0 - 8.9-13.2 HG LEU 27 - HE3 LYS 24 far 0 79 0 - 9.0-12.2 HB ILE 76 - HE3 LYS 73 far 0 50 0 - 9.1-12.7 HG2 LYS 68 - HE3 LYS 73 far 0 52 0 - 9.2-12.3 HD3 LYS 68 - HE3 LYS 73 far 0 42 0 - 9.3-14.2 HG3 LYS 90 - HE3 LYS 13 far 0 50 0 - 9.3-14.3 HD2 LYS 68 - HE3 LYS 73 far 0 41 0 - 9.5-14.4 HD2 LYS 68 - HE2 LYS 73 far 0 51 0 - 9.7-14.6 HG2 ARG 19 - HE3 LYS 24 far 0 57 0 - 9.7-15.6 HB ILE 76 - HE2 LYS 73 far 0 62 0 - 9.9-12.4 HG LEU 27 - HE2 LYS 24 far 0 79 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 2207 from cnoeabs.peaks (1.68, 2.97, 41.80 ppm; 2.67 A increased from 2.51 A): 18 out of 69 assignments used, quality = 1.00: HD3 LYS 47 + HE2 LYS 47 OK 83 100 90 93 2.3-3.0 3.0=73, 3.9/2155=8...(60) HD2 LYS 24 + HE3 LYS 24 OK 70 90 85 92 2.3-3.0 3.0=73, 3.0/1093=5...(52) HD3 LYS 13 + HE2 LYS 13 OK 63 79 85 93 2.3-3.0 2.9=75, 3.0/474=9...(52) HD2 LYS 47 + HE3 LYS 47 OK 60 100 65 92 2.3-3.0 3.0=73, 3.9/2154=9...(60) HD2 LYS 12 + HE3 LYS 12 OK 59 88 75 90 2.3-3.0 3.0=72, ~463=16, ~423=15...(28) * HD2 LYS 47 + HE2 LYS 47 OK 55 100 60 92 2.3-3.0 3.0=73, 2195/3.8=9...(60) HD3 LYS 12 + HE3 LYS 12 OK 52 88 65 90 2.3-3.0 3.0=72, ~463=16, ~423=15...(28) HD3 LYS 47 + HE3 LYS 47 OK 51 100 55 92 2.3-3.0 3.0=73, 3.9/2154=9...(60) HD2 LYS 24 + HE2 LYS 24 OK 49 90 60 91 2.4-3.0 3.0=73, 3.0/1093=5...(52) HD3 LYS 24 + HE3 LYS 24 OK 49 89 60 92 2.4-3.0 3.0=73, 1110/3.7=6...(52) HD3 LYS 24 + HE2 LYS 24 OK 49 89 60 91 2.3-3.0 3.0=73, 1110/3.7=6...(52) HD2 LYS 13 + HE3 LYS 13 OK 48 78 65 93 2.3-3.0 2.9=75, 3.0/474=10...(52) HD2 LYS 73 + HE3 LYS 73 OK 44 58 85 90 2.3-3.0 3.0=71, 3298/4.0=9...(46) HD3 LYS 73 + HE2 LYS 73 OK 44 69 70 90 2.3-3.0 3.0=71, 3298/4.0=10...(51) HD2 LYS 73 + HE2 LYS 73 OK 38 71 60 90 2.5-3.0 3.0=71, 3298/4.0=9...(47) HD2 LYS 13 + HE2 LYS 13 OK 38 82 50 93 2.5-3.0 2.9=75, 3.0/474=9...(52) HD3 LYS 13 + HE3 LYS 13 OK 35 76 50 93 2.5-3.0 2.9=75, 3.0/474=10...(52) HD3 LYS 73 + HE3 LYS 73 OK 31 57 60 90 2.5-3.0 3.0=71, 3298/4.0=10...(51) HG LEU 70 - HE3 LYS 73 far 0 54 0 - 3.5-8.3 HD3 LYS 39 - HE3 LYS 73 far 0 30 0 - 3.6-11.5 HG LEU 70 - HE2 LYS 73 far 0 66 0 - 3.8-8.4 HD2 LYS 39 - HE2 LYS 73 far 0 57 0 - 3.9-12.4 HD2 LYS 39 - HE3 LYS 73 far 0 46 0 - 4.0-12.2 HG2 PRO 86 - HE3 LYS 13 far 0 86 0 - 4.2-9.0 HB3 LEU 70 - HE3 LYS 73 far 0 35 0 - 4.4-8.9 HD3 LYS 39 - HE2 LYS 73 far 0 38 0 - 4.5-11.6 HG12 ILE 15 - HE3 LYS 12 far 0 94 0 - 4.6-8.2 HB3 LEU 70 - HE2 LYS 73 far 0 44 0 - 4.6-9.1 HG2 PRO 86 - HE2 LYS 13 far 0 89 0 - 5.0-9.6 HG3 LYS 20 - HE2 LYS 24 far 0 95 0 - 5.4-11.6 HD3 LYS 20 - HE3 LYS 24 far 0 95 0 - 5.8-12.5 HD3 LYS 20 - HE2 LYS 24 far 0 95 0 - 6.1-12.3 HG3 LYS 20 - HE3 LYS 24 far 0 95 0 - 6.2-11.6 HD3 LYS 12 - HE3 LYS 13 far 0 78 0 - 6.5-10.7 HD2 LYS 20 - HE2 LYS 13 far 0 93 0 - 6.5-12.1 HD3 LYS 66 - HE2 LYS 73 far 0 63 0 - 6.6-10.6 HD2 LYS 20 - HE3 LYS 24 far 0 95 0 - 6.9-12.0 HD3 LYS 66 - HE3 LYS 73 far 0 51 0 - 6.9-10.7 HD2 LYS 12 - HE3 LYS 13 far 0 78 0 - 7.1-11.2 HD2 LYS 12 - HE2 LYS 13 far 0 82 0 - 7.2-12.0 HD3 LYS 13 - HE3 LYS 12 far 0 85 0 - 7.3-11.8 HD3 LYS 90 - HE3 LYS 13 far 0 83 0 - 7.4-13.8 HD3 LYS 12 - HE2 LYS 13 far 0 82 0 - 7.5-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 95 0 - 7.5-11.7 HD3 LYS 20 - HE2 LYS 13 far 0 92 0 - 7.5-13.3 HD2 LYS 20 - HE3 LYS 13 far 0 90 0 - 7.5-11.8 HD3 LYS 20 - HE3 LYS 13 far 0 89 0 - 7.6-13.1 HD2 LYS 13 - HE3 LYS 12 far 0 88 0 - 7.7-11.9 HD2 LYS 20 - HE3 LYS 12 far 0 98 0 - 8.1-13.3 HD3 LYS 20 - HE3 LYS 12 far 0 97 0 - 8.2-14.3 HB ILE 52 - HE3 LYS 47 far 0 99 0 - 8.2-11.2 HG3 LYS 20 - HE3 LYS 12 far 0 97 0 - 8.3-16.0 HD3 LYS 90 - HE2 LYS 13 far 0 86 0 - 8.4-13.0 HB ILE 52 - HE2 LYS 47 far 0 99 0 - 8.5-11.4 HG3 LYS 20 - HE2 LYS 13 far 0 92 0 - 8.6-13.7 HG2 LYS 68 - HE2 LYS 73 far 0 39 0 - 8.9-13.2 HD3 LYS 90 - HE3 LYS 24 far 0 89 0 - 8.9-13.3 HB ILE 76 - HE3 LYS 73 far 0 34 0 - 9.1-12.7 HG2 LYS 68 - HE3 LYS 73 far 0 31 0 - 9.2-12.3 HB2 LEU 2 - HE3 LYS 47 far 0 91 0 - 9.3-13.4 HD3 LYS 68 - HE3 LYS 73 far 0 42 0 - 9.3-14.2 HG3 LYS 20 - HE3 LYS 13 far 0 89 0 - 9.3-14.0 HD2 LYS 68 - HE3 LYS 73 far 0 44 0 - 9.5-14.4 HD3 LYS 90 - HE2 LYS 24 far 0 89 0 - 9.6-13.5 HD2 LYS 68 - HE2 LYS 73 far 0 54 0 - 9.7-14.6 HG12 ILE 15 - HE3 LYS 13 far 0 85 0 - 9.7-12.9 HB2 LEU 2 - HE2 LYS 47 far 0 91 0 - 9.7-13.4 HB ILE 76 - HE2 LYS 73 far 0 42 0 - 9.9-12.4 HB3 LYS 40 - HE2 LYS 47 far 0 100 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 2208 from cnoeabs.peaks (1.68, 2.97, 41.80 ppm; 2.67 A increased from 2.51 A): 18 out of 67 assignments used, quality = 1.00: * HD3 LYS 47 + HE2 LYS 47 OK 83 100 90 93 2.3-3.0 3.0=73, 3.9/2154=8...(60) HD2 LYS 24 + HE3 LYS 24 OK 70 90 85 92 2.3-3.0 3.0=73, 3.0/1093=5...(52) HD3 LYS 13 + HE2 LYS 13 OK 64 80 85 93 2.3-3.0 2.9=75, 3.0/474=9...(52) HD2 LYS 12 + HE3 LYS 12 OK 60 89 75 90 2.3-3.0 3.0=72, ~463=16, ~423=15...(28) HD2 LYS 47 + HE3 LYS 47 OK 60 100 65 92 2.3-3.0 3.0=73, 3.9/2154=9...(60) HD2 LYS 47 + HE2 LYS 47 OK 55 100 60 92 2.3-3.0 3.0=73, 2195/3.8=9...(60) HD3 LYS 12 + HE3 LYS 12 OK 52 89 65 91 2.3-3.0 3.0=72, ~463=16, ~423=15...(28) HD3 LYS 47 + HE3 LYS 47 OK 51 100 55 92 2.3-3.0 3.0=73, 3.9/2154=9...(60) HD2 LYS 24 + HE2 LYS 24 OK 50 90 60 91 2.4-3.0 3.0=73, 3.0/1093=5...(52) HD3 LYS 24 + HE3 LYS 24 OK 49 90 60 92 2.4-3.0 3.0=73, 1110/3.7=6...(52) HD3 LYS 24 + HE2 LYS 24 OK 49 90 60 91 2.3-3.0 3.0=73, 1110/3.7=6...(52) HD2 LYS 13 + HE3 LYS 13 OK 48 80 65 93 2.3-3.0 2.9=75, 3.0/474=10...(52) HD2 LYS 73 + HE3 LYS 73 OK 44 58 85 90 2.3-3.0 3.0=71, 3298/4.0=9...(46) HD3 LYS 73 + HE2 LYS 73 OK 43 68 70 90 2.3-3.0 3.0=71, 3298/4.0=10...(51) HD2 LYS 13 + HE2 LYS 13 OK 39 83 50 93 2.5-3.0 2.9=75, 3.0/474=9...(52) HD2 LYS 73 + HE2 LYS 73 OK 38 70 60 90 2.5-3.0 3.0=71, 3298/4.0=9...(47) HD3 LYS 13 + HE3 LYS 13 OK 36 77 50 93 2.5-3.0 2.9=75, 3.0/474=10...(52) HD3 LYS 73 + HE3 LYS 73 OK 30 56 60 90 2.5-3.0 3.0=71, 3298/4.0=10...(51) HG LEU 70 - HE3 LYS 73 far 0 55 0 - 3.5-8.3 HG LEU 70 - HE2 LYS 73 far 0 67 0 - 3.8-8.4 HD2 LYS 39 - HE2 LYS 73 far 0 55 0 - 3.9-12.4 HD2 LYS 39 - HE3 LYS 73 far 0 45 0 - 4.0-12.2 HG2 PRO 86 - HE3 LYS 13 far 0 87 0 - 4.2-9.0 HB3 LEU 70 - HE3 LYS 73 far 0 36 0 - 4.4-8.9 HG12 ILE 15 - HE3 LYS 12 far 0 95 0 - 4.6-8.2 HB3 LEU 70 - HE2 LYS 73 far 0 45 0 - 4.6-9.1 HG2 PRO 86 - HE2 LYS 13 far 0 90 0 - 5.0-9.6 HG3 LYS 20 - HE2 LYS 24 far 0 94 0 - 5.4-11.6 HD3 LYS 20 - HE3 LYS 24 far 0 94 0 - 5.8-12.5 HD3 LYS 20 - HE2 LYS 24 far 0 94 0 - 6.1-12.3 HG3 LYS 20 - HE3 LYS 24 far 0 94 0 - 6.2-11.6 HD3 LYS 12 - HE3 LYS 13 far 0 80 0 - 6.5-10.7 HD2 LYS 20 - HE2 LYS 13 far 0 93 0 - 6.5-12.1 HD3 LYS 66 - HE2 LYS 73 far 0 64 0 - 6.6-10.6 HD2 LYS 20 - HE3 LYS 24 far 0 95 0 - 6.9-12.0 HD3 LYS 66 - HE3 LYS 73 far 0 52 0 - 6.9-10.7 HD2 LYS 12 - HE3 LYS 13 far 0 80 0 - 7.1-11.2 HD2 LYS 12 - HE2 LYS 13 far 0 83 0 - 7.2-12.0 HD3 LYS 13 - HE3 LYS 12 far 0 87 0 - 7.3-11.8 HD3 LYS 90 - HE3 LYS 13 far 0 84 0 - 7.4-13.8 HD3 LYS 12 - HE2 LYS 13 far 0 83 0 - 7.5-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 95 0 - 7.5-11.7 HD3 LYS 20 - HE2 LYS 13 far 0 92 0 - 7.5-13.3 HD2 LYS 20 - HE3 LYS 13 far 0 90 0 - 7.5-11.8 HD3 LYS 20 - HE3 LYS 13 far 0 89 0 - 7.6-13.1 HD2 LYS 13 - HE3 LYS 12 far 0 89 0 - 7.7-11.9 HD2 LYS 20 - HE3 LYS 12 far 0 98 0 - 8.1-13.3 HD3 LYS 20 - HE3 LYS 12 far 0 97 0 - 8.2-14.3 HB ILE 52 - HE3 LYS 47 far 0 99 0 - 8.2-11.2 HG3 LYS 20 - HE3 LYS 12 far 0 97 0 - 8.3-16.0 HD3 LYS 90 - HE2 LYS 13 far 0 87 0 - 8.4-13.0 HB ILE 52 - HE2 LYS 47 far 0 99 0 - 8.5-11.4 HG3 LYS 20 - HE2 LYS 13 far 0 92 0 - 8.6-13.7 HG2 LYS 68 - HE2 LYS 73 far 0 38 0 - 8.9-13.2 HD3 LYS 90 - HE3 LYS 24 far 0 90 0 - 8.9-13.3 HB ILE 76 - HE3 LYS 73 far 0 33 0 - 9.1-12.7 HG2 LYS 68 - HE3 LYS 73 far 0 30 0 - 9.2-12.3 HB2 LEU 2 - HE3 LYS 47 far 0 92 0 - 9.3-13.4 HD3 LYS 68 - HE3 LYS 73 far 0 41 0 - 9.3-14.2 HG3 LYS 20 - HE3 LYS 13 far 0 89 0 - 9.3-14.0 HD2 LYS 68 - HE3 LYS 73 far 0 42 0 - 9.5-14.4 HD3 LYS 90 - HE2 LYS 24 far 0 90 0 - 9.6-13.5 HD2 LYS 68 - HE2 LYS 73 far 0 53 0 - 9.7-14.6 HG12 ILE 15 - HE3 LYS 13 far 0 86 0 - 9.7-12.9 HB2 LEU 2 - HE2 LYS 47 far 0 92 0 - 9.7-13.4 HB ILE 76 - HE2 LYS 73 far 0 41 0 - 9.9-12.4 HB3 LYS 40 - HE2 LYS 47 far 0 100 0 - 9.9-14.0 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): 0 out of 9 assignments used, quality = 0.00: H GLU 48 - HE3 LYS 47 far 15 100 15 - 4.9-7.2 ! H GLU 48 - HE2 LYS 47 far 10 100 10 - 5.2-7.6 H GLU 44 - HE2 LYS 47 far 10 97 10 - 4.8-8.1 H GLU 44 - HE3 LYS 47 far 0 97 0 - 5.9-8.4 HD22 ASN 10 - HE3 LYS 12 far 0 96 0 - 6.0-12.0 HE22 GLN 50 - HE3 LYS 47 far 0 99 0 - 7.5-16.3 HE22 GLN 50 - HE2 LYS 47 far 0 99 0 - 8.2-15.7 H LYS 40 - HE3 LYS 73 far 0 55 0 - 8.9-15.5 H LYS 40 - HE2 LYS 73 far 0 67 0 - 9.8-15.6 Violated in 13 structures by 0.11 A. Peak 2212 from cnoeabs.peaks (7.47, 2.97, 41.80 ppm; 5.32 A): 2 out of 14 assignments used, quality = 0.94: * H LYS 47 + HE3 LYS 47 OK 85 100 85 100 3.7-5.9 6773/3.8=88, 6772/3.8=82...(29) H LYS 47 + HE2 LYS 47 OK 60 100 60 100 3.9-6.1 6773/3.8=88, 6772/3.8=82...(28) HE ARG 46 - HE3 LYS 47 far 5 100 5 - 5.3-13.1 HE ARG 19 - HE3 LYS 12 far 4 88 5 - 5.3-13.0 HE22 GLN 72 - HE3 LYS 73 far 2 40 5 - 5.5-11.9 HE ARG 46 - HE2 LYS 47 far 0 100 0 - 6.9-12.2 HE22 GLN 72 - HE2 LYS 73 far 0 50 0 - 7.0-11.2 HD22 ASN 26 - HE3 LYS 24 far 0 95 0 - 7.3-11.9 HD22 ASN 26 - HE2 LYS 24 far 0 95 0 - 7.9-11.9 HE ARG 46 - HE2 LYS 73 far 0 76 0 - 9.1-13.6 HE ARG 19 - HE3 LYS 24 far 0 84 0 - 9.5-17.7 H ARG 91 - HE2 LYS 24 far 0 96 0 - 9.5-14.5 HE ARG 46 - HE3 LYS 73 far 0 63 0 - 9.7-13.2 H ARG 91 - HE3 LYS 24 far 0 96 0 - 10.0-14.2 Violated in 0 structures by 0.00 A. Peak 2213 from cnoeabs.peaks (4.14, 2.97, 41.80 ppm; 5.01 A increased from 4.01 A): 6 out of 11 assignments used, quality = 1.00: * HA LYS 47 + HE3 LYS 47 OK 90 100 90 100 2.3-6.1 2126/3.8=57, 2127/3.8=55...(80) HA LYS 13 + HE3 LYS 13 OK 78 87 90 100 2.5-6.1 486/3.8=80, 518/3.8=72...(50) HA LYS 13 + HE2 LYS 13 OK 72 90 80 100 2.1-6.0 486/3.8=80, 518/3.8=72...(50) HA LYS 47 + HE2 LYS 47 OK 60 100 60 100 2.3-6.0 2126/3.8=57, 2127/3.8=55...(79) HA LYS 73 + HE2 LYS 73 OK 38 54 70 100 3.2-5.9 6.7=42, 3232/4.0=38...(63) HA LYS 73 + HE3 LYS 73 OK 24 44 55 100 2.8-6.4 6.7=42, 3232/4.0=38...(64) HA GLU 23 - HE3 LYS 24 far 5 95 5 - 4.4-10.2 HA LYS 13 - HE3 LYS 12 far 0 95 0 - 5.8-9.0 HA GLU 23 - HE2 LYS 24 far 0 95 0 - 5.9-10.3 HA GLN 72 - HE3 LYS 73 far 0 59 0 - 6.9-9.6 HA GLN 72 - HE2 LYS 73 far 0 72 0 - 7.4-9.5 Violated in 0 structures by 0.00 A. Peak 2214 from cnoeabs.peaks (1.97, 2.97, 41.80 ppm; 3.80 A increased from 3.38 A): 10 out of 45 assignments used, quality = 1.00: * HB2 LYS 47 + HE3 LYS 47 OK 95 100 95 100 2.0-4.7 4.9=48, 1.8/2154=31...(106) HB2 LYS 47 + HE2 LYS 47 OK 85 100 85 100 2.0-4.6 4.9=48, 1.8/2154=29...(105) HB3 LYS 73 + HE2 LYS 73 OK 64 72 90 99 2.5-4.3 4.9=47, 3.0/3235=11...(104) HB3 LYS 73 + HE3 LYS 73 OK 47 59 80 100 2.4-4.5 4.9=47, 1081/1.8=12...(106) HB2 LYS 24 + HE2 LYS 24 OK 33 95 35 100 3.1-5.1 3.0/12306=53, 4.9=46...(96) HB2 LYS 73 + HE2 LYS 73 OK 32 72 45 100 2.3-5.3 4.9=47, 7205/7.0=16...(117) HB2 LYS 73 + HE3 LYS 73 OK 30 59 50 100 2.7-5.1 4.9=47, 7205/7.0=16...(119) HB2 LYS 24 + HE3 LYS 24 OK 28 95 30 100 2.4-5.0 4.9=46, ~12306=36...(95) HB3 LYS 24 + HE2 LYS 24 OK 24 95 25 100 2.6-4.8 3.0/12306=53, 4.9=46...(98) HB3 LYS 24 + HE3 LYS 24 OK 24 95 25 100 2.2-5.5 4.9=46, ~12306=36...(99) HB3 GLU 44 - HE2 LYS 47 far 4 73 5 - 3.5-7.9 HB2 ARG 46 - HE3 LYS 47 far 0 100 0 - 4.1-9.5 QE MET 74 - HE3 LYS 73 far 0 38 0 - 4.1-9.4 HB2 GLU 44 - HE2 LYS 47 far 0 73 0 - 4.2-8.6 HB3 GLU 44 - HE3 LYS 47 far 0 73 0 - 4.4-8.1 HB3 LYS 20 - HE2 LYS 24 far 0 62 0 - 4.4-9.6 HB3 LYS 20 - HE3 LYS 24 far 0 62 0 - 4.6-9.9 HB3 ARG 46 - HE3 LYS 47 far 0 99 0 - 4.6-8.3 HB3 MET 74 - HE3 LYS 73 far 0 62 0 - 5.1-10.0 QE MET 74 - HE2 LYS 73 far 0 47 0 - 5.6-9.8 HB2 ARG 46 - HE2 LYS 47 far 0 100 0 - 5.6-9.7 HB2 GLU 44 - HE3 LYS 47 far 0 73 0 - 5.8-8.9 HB3 GLU 17 - HE3 LYS 13 far 0 50 0 - 6.1-10.5 HB3 ARG 46 - HE2 LYS 47 far 0 99 0 - 6.1-8.5 HB3 MET 74 - HE2 LYS 73 far 0 75 0 - 6.5-9.9 HB3 ARG 19 - HE3 LYS 12 far 0 56 0 - 6.6-11.9 HB2 GLU 17 - HE3 LYS 13 far 0 69 0 - 6.7-11.6 HB3 GLU 17 - HE2 LYS 13 far 0 52 0 - 6.7-10.5 HB2 GLU 17 - HE2 LYS 13 far 0 72 0 - 7.5-11.7 QE MET 74 - HE2 LYS 47 far 0 71 0 - 7.9-11.0 QE MET 74 - HE3 LYS 47 far 0 71 0 - 7.9-11.0 HB3 ARG 19 - HE3 LYS 24 far 0 53 0 - 8.2-13.6 HB2 GLU 17 - HE3 LYS 24 far 0 75 0 - 8.3-12.9 HB3 GLU 17 - HE3 LYS 12 far 0 58 0 - 8.4-13.0 HB2 GLU 35 - HE2 LYS 73 far 0 38 0 - 8.7-14.4 HB2 GLU 17 - HE2 LYS 24 far 0 75 0 - 9.0-12.7 HB2 GLU 35 - HE3 LYS 73 far 0 30 0 - 9.2-14.1 HB3 ARG 19 - HE2 LYS 24 far 0 53 0 - 9.2-13.7 HB3 ARG 19 - HE2 LYS 13 far 0 51 0 - 9.4-14.5 HB3 LYS 20 - HE2 LYS 13 far 0 60 0 - 9.4-14.2 HB3 LYS 20 - HE3 LYS 13 far 0 57 0 - 9.6-14.5 HB3 GLU 17 - HE3 LYS 24 far 0 55 0 - 9.6-14.4 HB3 ARG 19 - HE3 LYS 13 far 0 48 0 - 9.8-14.5 HB3 LYS 20 - HE3 LYS 12 far 0 65 0 - 9.9-16.5 HB2 GLU 17 - HE3 LYS 12 far 0 78 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 2215 from cnoeabs.peaks (1.92, 2.97, 41.80 ppm; 3.25 A): 5 out of 51 assignments used, quality = 0.83: * HB3 LYS 47 + HE3 LYS 47 OK 39 100 40 99 2.1-4.8 4.9=30, 2155/1.8=20...(110) HB3 LYS 47 + HE2 LYS 47 OK 35 100 35 99 2.7-5.0 4.9=30, 2154/1.8=21...(111) HB3 LYS 13 + HE2 LYS 13 OK 27 91 30 98 2.1-4.7 5.0=27, 3.0/474=14...(77) HB3 LYS 73 + HE2 LYS 73 OK 26 48 55 96 2.5-4.3 4.9=29, 3.0/3235=8...(99) HB3 LYS 13 + HE3 LYS 13 OK 21 87 25 98 2.2-4.8 5.0=27, 3.0/474=16...(76) HB2 LYS 73 - HE2 LYS 73 poor 16 47 35 - 2.3-5.3 HB3 LYS 73 - HE3 LYS 73 poor 12 39 30 - 2.4-4.5 HB3 LYS 24 - HE3 LYS 24 poor 11 55 20 - 2.2-5.5 HB3 LYS 24 - HE2 LYS 24 poor 11 55 20 - 2.6-4.8 HB2 LYS 73 - HE3 LYS 73 poor 8 38 20 - 2.7-5.1 HB2 LYS 24 - HE3 LYS 24 far 5 55 10 - 2.4-5.0 HB2 LYS 24 - HE2 LYS 24 far 5 55 10 - 3.1-5.1 HB2 LYS 13 - HE3 LYS 13 far 4 89 5 - 3.2-5.0 HB2 LYS 13 - HE2 LYS 13 far 0 92 0 - 3.6-5.5 HB2 LYS 20 - HE2 LYS 24 far 0 60 0 - 3.7-9.3 HB2 LYS 20 - HE3 LYS 24 far 0 60 0 - 3.9-10.0 HB3 LYS 20 - HE2 LYS 24 far 0 93 0 - 4.4-9.6 HB3 LYS 20 - HE3 LYS 24 far 0 93 0 - 4.6-9.9 HB3 ARG 46 - HE3 LYS 47 far 0 68 0 - 4.6-8.3 HB2 GLU 43 - HE2 LYS 47 far 0 94 0 - 4.7-8.5 HB3 MET 74 - HE3 LYS 73 far 0 31 0 - 5.1-10.0 HB2 LYS 94 - HE2 LYS 24 far 0 96 0 - 5.4-12.9 HB2 GLU 43 - HE3 LYS 47 far 0 94 0 - 5.8-8.2 HB3 ARG 46 - HE2 LYS 47 far 0 68 0 - 6.1-8.5 HB2 LYS 13 - HE3 LYS 12 far 0 97 0 - 6.4-9.9 HB3 MET 74 - HE2 LYS 73 far 0 39 0 - 6.5-9.9 HB3 ARG 19 - HE3 LYS 12 far 0 98 0 - 6.6-11.9 HB2 GLU 17 - HE3 LYS 13 far 0 82 0 - 6.7-11.6 HB3 LEU 14 - HE3 LYS 12 far 0 85 0 - 6.9-10.2 HB2 LYS 94 - HE3 LYS 24 far 0 96 0 - 7.1-13.1 HB3 LEU 14 - HE3 LYS 13 far 0 76 0 - 7.3-9.7 HB2 GLU 17 - HE2 LYS 13 far 0 85 0 - 7.5-11.7 HB3 LEU 14 - HE2 LYS 13 far 0 79 0 - 7.6-9.8 HB2 ARG 19 - HE3 LYS 12 far 0 69 0 - 7.6-13.0 HB2 ARG 19 - HE3 LYS 24 far 0 66 0 - 7.7-13.6 HB3 LYS 13 - HE3 LYS 12 far 0 96 0 - 7.7-10.8 HB3 LYS 33 - HE3 LYS 12 far 0 96 0 - 7.9-11.0 HB3 ARG 19 - HE3 LYS 24 far 0 95 0 - 8.2-13.6 HB2 GLU 17 - HE3 LYS 24 far 0 88 0 - 8.3-12.9 HG LEU 42 - HE3 LYS 73 far 0 44 0 - 8.9-13.9 HB2 ARG 19 - HE2 LYS 24 far 0 66 0 - 9.0-13.8 HB2 GLU 17 - HE2 LYS 24 far 0 88 0 - 9.0-12.7 HB3 ARG 19 - HE2 LYS 24 far 0 95 0 - 9.2-13.7 HB2 LYS 33 - HE3 LYS 12 far 0 97 0 - 9.2-12.5 HB3 ARG 19 - HE2 LYS 13 far 0 93 0 - 9.4-14.5 HB3 LYS 20 - HE2 LYS 13 far 0 91 0 - 9.4-14.2 HB3 LYS 20 - HE3 LYS 13 far 0 87 0 - 9.6-14.5 HB3 ARG 19 - HE3 LYS 13 far 0 90 0 - 9.8-14.5 HB3 LYS 20 - HE3 LYS 12 far 0 96 0 - 9.9-16.5 HB2 GLU 17 - HE3 LYS 12 far 0 91 0 - 9.9-14.7 HG LEU 42 - HE2 LYS 73 far 0 54 0 - 10.0-14.1 Violated in 1 structures by 0.00 A. Peak 2216 from cnoeabs.peaks (1.49, 2.97, 41.80 ppm; 3.71 A increased from 2.97 A): 8 out of 31 assignments used, quality = 1.00: * HG2 LYS 47 + HE3 LYS 47 OK 100 100 100 100 2.4-3.9 3.8=95, 3.0/2155=23...(121) HG3 LYS 24 + HE2 LYS 24 OK 88 88 100 100 2.2-4.0 3.7=99, 3.7/12306=43...(104) HG3 LYS 13 + HE2 LYS 13 OK 87 92 95 100 2.3-4.1 3.8=91, 486/6.0=23...(73) HG3 LYS 13 + HE3 LYS 13 OK 85 89 95 100 2.1-4.2 3.8=91, 486/6.0=23...(72) HG3 LYS 24 + HE3 LYS 24 OK 83 88 95 100 2.3-4.2 3.7=99, 1096/6.2=19...(102) HG2 LYS 47 + HE2 LYS 47 OK 70 100 70 100 2.3-4.2 3.8=95, 3.0/2154=22...(126) HG2 LYS 73 + HE2 LYS 73 OK 68 76 90 100 2.1-4.2 4.0=80, 3297/3.0=17...(110) HG2 LYS 73 + HE3 LYS 73 OK 56 63 90 100 2.2-4.1 4.0=80, 3297/3.0=17...(109) HG2 LYS 20 - HE3 LYS 24 far 0 62 0 - 5.3-10.7 HG3 LYS 13 - HE3 LYS 12 far 0 97 0 - 5.4-9.4 HG2 LYS 20 - HE2 LYS 24 far 0 62 0 - 5.8-10.7 HB2 LEU 14 - HE3 LYS 13 far 0 62 0 - 6.4-9.1 HB2 LEU 14 - HE2 LYS 13 far 0 65 0 - 6.9-9.5 HG3 LYS 33 - HE3 LYS 12 far 0 94 0 - 7.4-10.5 HB2 LEU 14 - HE3 LYS 12 far 0 71 0 - 8.3-11.4 HB2 LEU 27 - HE3 LYS 24 far 0 62 0 - 8.5-12.9 HG3 LYS 66 - HE2 LYS 73 far 0 76 0 - 8.6-12.8 HB2 LEU 38 - HE2 LYS 73 far 0 42 0 - 8.6-14.9 HG3 LYS 66 - HE3 LYS 73 far 0 63 0 - 8.7-13.0 HG2 LYS 66 - HE2 LYS 73 far 0 76 0 - 8.8-13.2 HB ILE 7 - HE3 LYS 12 far 0 71 0 - 8.9-13.3 HG13 ILE 52 - HE2 LYS 47 far 0 70 0 - 8.9-12.3 HB2 LEU 38 - HE3 LYS 73 far 0 34 0 - 8.9-14.7 HG2 LYS 20 - HE2 LYS 13 far 0 60 0 - 9.0-14.4 HG13 ILE 52 - HE3 LYS 47 far 0 70 0 - 9.0-12.3 HG2 LYS 66 - HE3 LYS 73 far 0 63 0 - 9.0-13.0 HG LEU 38 - HE3 LYS 73 far 0 39 0 - 9.5-14.2 HG2 LYS 20 - HE3 LYS 13 far 0 57 0 - 9.7-14.3 HG2 LYS 20 - HE3 LYS 12 far 0 65 0 - 9.8-15.0 HG LEU 38 - HE2 LYS 73 far 0 48 0 - 9.9-14.2 HG LEU 2 - HE3 LYS 47 far 0 87 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 2217 from cnoeabs.peaks (1.62, 2.97, 41.80 ppm; 3.66 A increased from 2.92 A): 7 out of 34 assignments used, quality = 1.00: HG3 LYS 47 + HE2 LYS 47 OK 100 100 100 100 2.5-3.9 3.8=91, 2195/3.0=22...(101) * HG3 LYS 47 + HE3 LYS 47 OK 95 100 95 100 2.2-4.2 3.8=91, 3.0/2154=23...(101) HG3 LYS 12 + HE3 LYS 12 OK 76 76 100 99 2.2-3.9 4.0=79, ~463=49, ~423=45...(35) HG2 LYS 24 + HE2 LYS 24 OK 58 58 100 100 2.3-3.8 3.7=95, 3.7/12306=42...(83) HG2 LYS 24 + HE3 LYS 24 OK 58 58 100 100 2.1-3.9 3.7=95, 1.8/1103=10...(83) HG3 LYS 73 + HE2 LYS 73 OK 53 59 90 100 2.1-4.2 4.0=76, 3298/3.0=21...(86) HG3 LYS 73 + HE3 LYS 73 OK 41 48 85 100 2.1-4.2 4.0=76, 3298/3.0=21...(86) HD3 LYS 39 - HE3 LYS 73 far 3 53 5 - 3.6-11.5 HD2 LYS 39 - HE2 LYS 73 far 2 48 5 - 3.9-12.4 HD2 LYS 39 - HE3 LYS 73 far 0 39 0 - 4.0-12.2 HD3 LYS 39 - HE2 LYS 73 far 0 65 0 - 4.5-11.6 HG2 ARG 19 - HE3 LYS 12 far 0 60 0 - 5.2-12.1 HD2 LYS 94 - HE2 LYS 24 far 0 96 0 - 5.9-11.9 HG3 LYS 12 - HE3 LYS 13 far 0 67 0 - 6.0-10.1 HG3 LYS 90 - HE3 LYS 24 far 0 55 0 - 6.3-10.6 HD2 LYS 94 - HE3 LYS 24 far 0 96 0 - 6.5-12.2 HG3 LYS 90 - HE2 LYS 24 far 0 55 0 - 7.0-10.9 HD2 LYS 66 - HE3 LYS 73 far 0 51 0 - 7.1-11.8 HD2 LYS 66 - HE2 LYS 73 far 0 63 0 - 7.2-11.5 HG3 LYS 12 - HE2 LYS 13 far 0 70 0 - 7.3-10.3 HD3 LYS 94 - HE2 LYS 24 far 0 79 0 - 7.4-13.6 HD3 LYS 94 - HE3 LYS 24 far 0 79 0 - 7.5-13.8 HB3 LEU 29 - HE3 LYS 24 far 0 76 0 - 8.9-14.2 HG2 LYS 68 - HE2 LYS 73 far 0 64 0 - 8.9-13.2 HG LEU 27 - HE3 LYS 24 far 0 79 0 - 9.0-12.2 HB ILE 76 - HE3 LYS 73 far 0 50 0 - 9.1-12.7 HG2 LYS 68 - HE3 LYS 73 far 0 52 0 - 9.2-12.3 HD3 LYS 68 - HE3 LYS 73 far 0 42 0 - 9.3-14.2 HG3 LYS 90 - HE3 LYS 13 far 0 50 0 - 9.3-14.3 HD2 LYS 68 - HE3 LYS 73 far 0 41 0 - 9.5-14.4 HD2 LYS 68 - HE2 LYS 73 far 0 51 0 - 9.7-14.6 HG2 ARG 19 - HE3 LYS 24 far 0 57 0 - 9.7-15.6 HB ILE 76 - HE2 LYS 73 far 0 62 0 - 9.9-12.4 HG LEU 27 - HE2 LYS 24 far 0 79 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 2218 from cnoeabs.peaks (1.68, 2.97, 41.80 ppm; 2.67 A increased from 2.51 A): 18 out of 69 assignments used, quality = 1.00: HD3 LYS 47 + HE2 LYS 47 OK 83 100 90 93 2.3-3.0 3.0=73, 3.9/2155=8...(60) HD2 LYS 24 + HE3 LYS 24 OK 70 90 85 92 2.3-3.0 3.0=73, 3.0/1093=5...(52) HD3 LYS 13 + HE2 LYS 13 OK 63 79 85 93 2.3-3.0 2.9=75, 3.0/474=9...(52) * HD2 LYS 47 + HE3 LYS 47 OK 60 100 65 92 2.3-3.0 3.0=73, 3.9/2154=9...(60) HD2 LYS 12 + HE3 LYS 12 OK 59 88 75 90 2.3-3.0 3.0=72, ~463=16, ~423=15...(28) HD2 LYS 47 + HE2 LYS 47 OK 55 100 60 92 2.3-3.0 3.0=73, 2195/3.8=9...(60) HD3 LYS 12 + HE3 LYS 12 OK 52 88 65 90 2.3-3.0 3.0=72, ~463=16, ~423=15...(28) HD3 LYS 47 + HE3 LYS 47 OK 51 100 55 92 2.3-3.0 3.0=73, 3.9/2154=9...(60) HD2 LYS 24 + HE2 LYS 24 OK 49 90 60 91 2.4-3.0 3.0=73, 3.0/1093=5...(52) HD3 LYS 24 + HE3 LYS 24 OK 49 89 60 92 2.4-3.0 3.0=73, 1110/3.7=6...(52) HD3 LYS 24 + HE2 LYS 24 OK 49 89 60 91 2.3-3.0 3.0=73, 1110/3.7=6...(52) HD2 LYS 13 + HE3 LYS 13 OK 48 78 65 93 2.3-3.0 2.9=75, 3.0/474=10...(52) HD2 LYS 73 + HE3 LYS 73 OK 44 58 85 90 2.3-3.0 3.0=71, 3298/4.0=9...(46) HD3 LYS 73 + HE2 LYS 73 OK 44 69 70 90 2.3-3.0 3.0=71, 3298/4.0=10...(51) HD2 LYS 73 + HE2 LYS 73 OK 38 71 60 90 2.5-3.0 3.0=71, 3298/4.0=9...(47) HD2 LYS 13 + HE2 LYS 13 OK 38 82 50 93 2.5-3.0 2.9=75, 3.0/474=9...(52) HD3 LYS 13 + HE3 LYS 13 OK 35 76 50 93 2.5-3.0 2.9=75, 3.0/474=10...(52) HD3 LYS 73 + HE3 LYS 73 OK 31 57 60 90 2.5-3.0 3.0=71, 3298/4.0=10...(51) HG LEU 70 - HE3 LYS 73 far 0 54 0 - 3.5-8.3 HD3 LYS 39 - HE3 LYS 73 far 0 30 0 - 3.6-11.5 HG LEU 70 - HE2 LYS 73 far 0 66 0 - 3.8-8.4 HD2 LYS 39 - HE2 LYS 73 far 0 57 0 - 3.9-12.4 HD2 LYS 39 - HE3 LYS 73 far 0 46 0 - 4.0-12.2 HG2 PRO 86 - HE3 LYS 13 far 0 86 0 - 4.2-9.0 HB3 LEU 70 - HE3 LYS 73 far 0 35 0 - 4.4-8.9 HD3 LYS 39 - HE2 LYS 73 far 0 38 0 - 4.5-11.6 HG12 ILE 15 - HE3 LYS 12 far 0 94 0 - 4.6-8.2 HB3 LEU 70 - HE2 LYS 73 far 0 44 0 - 4.6-9.1 HG2 PRO 86 - HE2 LYS 13 far 0 89 0 - 5.0-9.6 HG3 LYS 20 - HE2 LYS 24 far 0 95 0 - 5.4-11.6 HD3 LYS 20 - HE3 LYS 24 far 0 95 0 - 5.8-12.5 HD3 LYS 20 - HE2 LYS 24 far 0 95 0 - 6.1-12.3 HG3 LYS 20 - HE3 LYS 24 far 0 95 0 - 6.2-11.6 HD3 LYS 12 - HE3 LYS 13 far 0 78 0 - 6.5-10.7 HD2 LYS 20 - HE2 LYS 13 far 0 93 0 - 6.5-12.1 HD3 LYS 66 - HE2 LYS 73 far 0 63 0 - 6.6-10.6 HD2 LYS 20 - HE3 LYS 24 far 0 95 0 - 6.9-12.0 HD3 LYS 66 - HE3 LYS 73 far 0 51 0 - 6.9-10.7 HD2 LYS 12 - HE3 LYS 13 far 0 78 0 - 7.1-11.2 HD2 LYS 12 - HE2 LYS 13 far 0 82 0 - 7.2-12.0 HD3 LYS 13 - HE3 LYS 12 far 0 85 0 - 7.3-11.8 HD3 LYS 90 - HE3 LYS 13 far 0 83 0 - 7.4-13.8 HD3 LYS 12 - HE2 LYS 13 far 0 82 0 - 7.5-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 95 0 - 7.5-11.7 HD3 LYS 20 - HE2 LYS 13 far 0 92 0 - 7.5-13.3 HD2 LYS 20 - HE3 LYS 13 far 0 90 0 - 7.5-11.8 HD3 LYS 20 - HE3 LYS 13 far 0 89 0 - 7.6-13.1 HD2 LYS 13 - HE3 LYS 12 far 0 88 0 - 7.7-11.9 HD2 LYS 20 - HE3 LYS 12 far 0 98 0 - 8.1-13.3 HD3 LYS 20 - HE3 LYS 12 far 0 97 0 - 8.2-14.3 HB ILE 52 - HE3 LYS 47 far 0 99 0 - 8.2-11.2 HG3 LYS 20 - HE3 LYS 12 far 0 97 0 - 8.3-16.0 HD3 LYS 90 - HE2 LYS 13 far 0 86 0 - 8.4-13.0 HB ILE 52 - HE2 LYS 47 far 0 99 0 - 8.5-11.4 HG3 LYS 20 - HE2 LYS 13 far 0 92 0 - 8.6-13.7 HG2 LYS 68 - HE2 LYS 73 far 0 39 0 - 8.9-13.2 HD3 LYS 90 - HE3 LYS 24 far 0 89 0 - 8.9-13.3 HB ILE 76 - HE3 LYS 73 far 0 34 0 - 9.1-12.7 HG2 LYS 68 - HE3 LYS 73 far 0 31 0 - 9.2-12.3 HB2 LEU 2 - HE3 LYS 47 far 0 91 0 - 9.3-13.4 HD3 LYS 68 - HE3 LYS 73 far 0 42 0 - 9.3-14.2 HG3 LYS 20 - HE3 LYS 13 far 0 89 0 - 9.3-14.0 HD2 LYS 68 - HE3 LYS 73 far 0 44 0 - 9.5-14.4 HD3 LYS 90 - HE2 LYS 24 far 0 89 0 - 9.6-13.5 HD2 LYS 68 - HE2 LYS 73 far 0 54 0 - 9.7-14.6 HG12 ILE 15 - HE3 LYS 13 far 0 85 0 - 9.7-12.9 HB2 LEU 2 - HE2 LYS 47 far 0 91 0 - 9.7-13.4 HB ILE 76 - HE2 LYS 73 far 0 42 0 - 9.9-12.4 HB3 LYS 40 - HE2 LYS 47 far 0 100 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 2219 from cnoeabs.peaks (1.68, 2.97, 41.80 ppm; 2.67 A increased from 2.51 A): 18 out of 67 assignments used, quality = 1.00: HD3 LYS 47 + HE2 LYS 47 OK 83 100 90 93 2.3-3.0 3.0=73, 3.9/2154=8...(60) HD2 LYS 24 + HE3 LYS 24 OK 70 90 85 92 2.3-3.0 3.0=73, 3.0/1093=5...(52) HD3 LYS 13 + HE2 LYS 13 OK 64 80 85 93 2.3-3.0 2.9=75, 3.0/474=9...(52) HD2 LYS 12 + HE3 LYS 12 OK 60 89 75 90 2.3-3.0 3.0=72, ~463=16, ~423=15...(28) HD2 LYS 47 + HE3 LYS 47 OK 60 100 65 92 2.3-3.0 3.0=73, 3.9/2154=9...(60) HD2 LYS 47 + HE2 LYS 47 OK 55 100 60 92 2.3-3.0 3.0=73, 2195/3.8=9...(60) HD3 LYS 12 + HE3 LYS 12 OK 52 89 65 91 2.3-3.0 3.0=72, ~463=16, ~423=15...(28) * HD3 LYS 47 + HE3 LYS 47 OK 51 100 55 92 2.3-3.0 3.0=73, 3.9/2154=9...(60) HD2 LYS 24 + HE2 LYS 24 OK 50 90 60 91 2.4-3.0 3.0=73, 3.0/1093=5...(52) HD3 LYS 24 + HE3 LYS 24 OK 49 90 60 92 2.4-3.0 3.0=73, 1110/3.7=6...(52) HD3 LYS 24 + HE2 LYS 24 OK 49 90 60 91 2.3-3.0 3.0=73, 1110/3.7=6...(52) HD2 LYS 13 + HE3 LYS 13 OK 48 80 65 93 2.3-3.0 2.9=75, 3.0/474=10...(52) HD2 LYS 73 + HE3 LYS 73 OK 44 58 85 90 2.3-3.0 3.0=71, 3298/4.0=9...(46) HD3 LYS 73 + HE2 LYS 73 OK 43 68 70 90 2.3-3.0 3.0=71, 3298/4.0=10...(51) HD2 LYS 13 + HE2 LYS 13 OK 39 83 50 93 2.5-3.0 2.9=75, 3.0/474=9...(52) HD2 LYS 73 + HE2 LYS 73 OK 38 70 60 90 2.5-3.0 3.0=71, 3298/4.0=9...(47) HD3 LYS 13 + HE3 LYS 13 OK 36 77 50 93 2.5-3.0 2.9=75, 3.0/474=10...(52) HD3 LYS 73 + HE3 LYS 73 OK 30 56 60 90 2.5-3.0 3.0=71, 3298/4.0=10...(51) HG LEU 70 - HE3 LYS 73 far 0 55 0 - 3.5-8.3 HG LEU 70 - HE2 LYS 73 far 0 67 0 - 3.8-8.4 HD2 LYS 39 - HE2 LYS 73 far 0 55 0 - 3.9-12.4 HD2 LYS 39 - HE3 LYS 73 far 0 45 0 - 4.0-12.2 HG2 PRO 86 - HE3 LYS 13 far 0 87 0 - 4.2-9.0 HB3 LEU 70 - HE3 LYS 73 far 0 36 0 - 4.4-8.9 HG12 ILE 15 - HE3 LYS 12 far 0 95 0 - 4.6-8.2 HB3 LEU 70 - HE2 LYS 73 far 0 45 0 - 4.6-9.1 HG2 PRO 86 - HE2 LYS 13 far 0 90 0 - 5.0-9.6 HG3 LYS 20 - HE2 LYS 24 far 0 94 0 - 5.4-11.6 HD3 LYS 20 - HE3 LYS 24 far 0 94 0 - 5.8-12.5 HD3 LYS 20 - HE2 LYS 24 far 0 94 0 - 6.1-12.3 HG3 LYS 20 - HE3 LYS 24 far 0 94 0 - 6.2-11.6 HD3 LYS 12 - HE3 LYS 13 far 0 80 0 - 6.5-10.7 HD2 LYS 20 - HE2 LYS 13 far 0 93 0 - 6.5-12.1 HD3 LYS 66 - HE2 LYS 73 far 0 64 0 - 6.6-10.6 HD2 LYS 20 - HE3 LYS 24 far 0 95 0 - 6.9-12.0 HD3 LYS 66 - HE3 LYS 73 far 0 52 0 - 6.9-10.7 HD2 LYS 12 - HE3 LYS 13 far 0 80 0 - 7.1-11.2 HD2 LYS 12 - HE2 LYS 13 far 0 83 0 - 7.2-12.0 HD3 LYS 13 - HE3 LYS 12 far 0 87 0 - 7.3-11.8 HD3 LYS 90 - HE3 LYS 13 far 0 84 0 - 7.4-13.8 HD3 LYS 12 - HE2 LYS 13 far 0 83 0 - 7.5-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 95 0 - 7.5-11.7 HD3 LYS 20 - HE2 LYS 13 far 0 92 0 - 7.5-13.3 HD2 LYS 20 - HE3 LYS 13 far 0 90 0 - 7.5-11.8 HD3 LYS 20 - HE3 LYS 13 far 0 89 0 - 7.6-13.1 HD2 LYS 13 - HE3 LYS 12 far 0 89 0 - 7.7-11.9 HD2 LYS 20 - HE3 LYS 12 far 0 98 0 - 8.1-13.3 HD3 LYS 20 - HE3 LYS 12 far 0 97 0 - 8.2-14.3 HB ILE 52 - HE3 LYS 47 far 0 99 0 - 8.2-11.2 HG3 LYS 20 - HE3 LYS 12 far 0 97 0 - 8.3-16.0 HD3 LYS 90 - HE2 LYS 13 far 0 87 0 - 8.4-13.0 HB ILE 52 - HE2 LYS 47 far 0 99 0 - 8.5-11.4 HG3 LYS 20 - HE2 LYS 13 far 0 92 0 - 8.6-13.7 HG2 LYS 68 - HE2 LYS 73 far 0 38 0 - 8.9-13.2 HD3 LYS 90 - HE3 LYS 24 far 0 90 0 - 8.9-13.3 HB ILE 76 - HE3 LYS 73 far 0 33 0 - 9.1-12.7 HG2 LYS 68 - HE3 LYS 73 far 0 30 0 - 9.2-12.3 HB2 LEU 2 - HE3 LYS 47 far 0 92 0 - 9.3-13.4 HD3 LYS 68 - HE3 LYS 73 far 0 41 0 - 9.3-14.2 HG3 LYS 20 - HE3 LYS 13 far 0 89 0 - 9.3-14.0 HD2 LYS 68 - HE3 LYS 73 far 0 42 0 - 9.5-14.4 HD3 LYS 90 - HE2 LYS 24 far 0 90 0 - 9.6-13.5 HD2 LYS 68 - HE2 LYS 73 far 0 53 0 - 9.7-14.6 HG12 ILE 15 - HE3 LYS 13 far 0 86 0 - 9.7-12.9 HB2 LEU 2 - HE2 LYS 47 far 0 92 0 - 9.7-13.4 HB ILE 76 - HE2 LYS 73 far 0 41 0 - 9.9-12.4 HB3 LYS 40 - HE2 LYS 47 far 0 100 0 - 9.9-14.0 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): 0 out of 9 assignments used, quality = 0.00: ! H GLU 48 - HE3 LYS 47 far 15 100 15 - 4.9-7.2 H GLU 48 - HE2 LYS 47 far 10 100 10 - 5.2-7.6 H GLU 44 - HE2 LYS 47 far 10 97 10 - 4.8-8.1 H GLU 44 - HE3 LYS 47 far 0 97 0 - 5.9-8.4 HD22 ASN 10 - HE3 LYS 12 far 0 96 0 - 6.0-12.0 HE22 GLN 50 - HE3 LYS 47 far 0 99 0 - 7.5-16.3 HE22 GLN 50 - HE2 LYS 47 far 0 99 0 - 8.2-15.7 H LYS 40 - HE3 LYS 73 far 0 55 0 - 8.9-15.5 H LYS 40 - HE2 LYS 73 far 0 67 0 - 9.8-15.6 Violated in 13 structures by 0.11 A. Peak 2223 from cnoeabs.peaks (7.62, 4.43, 55.95 ppm; 3.49 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 48 + HA GLU 48 OK 100 100 100 100 2.9-2.9 3.0=100 HE22 GLN 50 - HA GLU 48 far 10 99 10 - 2.6-8.7 H GLU 44 - HA GLU 48 far 0 97 0 - 9.9-10.4 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 3 assignments used, quality = 1.00: * HB2 GLU 48 + HA GLU 48 OK 100 100 100 100 2.5-2.8 3.0=100 HG2 GLU 48 + HA GLU 48 OK 66 68 100 97 2.1-3.3 4.1=47, 1.8/2228=39...(22) HB2 TYR 4 - HA GLU 48 far 0 100 0 - 9.5-11.6 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 0 87 0 - 4.2-5.5 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 2.1-3.3 4.1=54, 1.8/2228=43...(21) HB2 GLU 48 + HA GLU 48 OK 68 68 100 100 2.5-2.8 3.0=100 HG3 GLU 44 - HA GLU 48 far 0 92 0 - 7.5-9.1 Violated in 0 structures by 0.00 A. Peak 2228 from cnoeabs.peaks (2.43, 4.43, 55.95 ppm; 3.86 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 48 + HA GLU 48 OK 100 100 100 100 2.7-3.7 4.1=81, 1.8/2227=51...(24) HG2 GLN 50 + HA GLU 48 OK 21 79 60 44 2.7-6.7 5.1/12314=23, 2298=8...(7) HG3 GLN 50 - HA GLU 48 poor 12 100 25 49 3.6-6.6 5.1/12314=23, 1.8/2298=9...(9) 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 2.7-3.5 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 3 assignments used, quality = 1.00: * H GLU 48 + HB2 GLU 48 OK 100 100 100 100 3.4-3.7 6792/1.8=90, 4.0=86...(17) HE22 GLN 50 - HB2 GLU 48 far 0 99 0 - 4.3-9.7 H GLU 44 - HB2 GLU 48 far 0 97 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 2231 from cnoeabs.peaks (4.43, 2.30, 29.70 ppm; 3.84 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 48 + HB2 GLU 48 OK 100 100 100 100 2.5-2.8 3.0=100 HA GLN 50 - HB2 GLU 48 far 0 77 0 - 5.1-6.7 HA LEU 2 - HB2 GLU 48 far 0 68 0 - 5.6-7.6 HA ILE 76 - HB2 GLU 48 far 0 100 0 - 8.9-10.3 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 0 87 0 - 4.7-6.7 HG2 GLU 28 - HB2 GLU 48 far 0 96 0 - 9.7-12.3 HG3 GLU 28 - HB2 GLU 48 far 0 96 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 2234 from cnoeabs.peaks (2.33, 2.30, 29.70 ppm; diagonal): 1 out of 1 assignment used, quality = 0.68: HB2 GLU 48 + HB2 GLU 48 OK 68 68 - 100 Reference assignment not found: HG2 GLU 48 - HB2 GLU 48 Peak 2235 from cnoeabs.peaks (2.43, 2.30, 29.70 ppm; 3.30 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLU 48 + HB2 GLU 48 OK 100 100 100 100 2.2-2.6 3.0=100 HG2 GLN 50 - HB2 GLU 48 far 0 79 0 - 4.2-7.1 HG3 GLN 50 - HB2 GLU 48 far 0 100 0 - 5.2-7.7 HG3 MET 1 - HB2 GLU 48 far 0 99 0 - 8.3-9.9 HB3 TYR 4 - HB2 GLU 48 far 0 79 0 - 8.8-10.8 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 2.2-4.4 6799=95, 6800/1.8=83...(15) Violated in 0 structures by 0.00 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 2.2-2.6 6792=100, 2230/1.8=63...(15) HE22 GLN 50 - HB3 GLU 48 far 0 99 0 - 5.4-10.8 H GLU 44 - HB3 GLU 48 far 0 97 0 - 8.0-9.0 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 7 assignments used, quality = 1.00: * HA GLU 48 + HB3 GLU 48 OK 100 100 100 100 2.9-3.0 3.0=100 HA LEU 2 - HB3 GLU 48 far 0 68 0 - 6.5-7.7 HA GLN 50 - HB3 GLU 48 far 0 77 0 - 6.7-7.8 HA ALA 25 - HB2 GLU 98 far 0 56 0 - 7.5-9.2 HB THR 84 - HB3 GLU 88 far 0 29 0 - 8.0-8.6 HA ALA 25 - HB3 GLU 98 far 0 56 0 - 8.4-9.9 HA ILE 76 - HB3 GLU 48 far 0 100 0 - 8.5-9.9 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 9 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 64 68 100 95 2.3-3.0 3.0=77, 1.8/2254=24...(15) HG2 GLU 95 - HB2 GLU 98 far 0 44 0 - 4.4-6.8 HG2 GLU 95 - HB2 GLU 99 far 0 51 0 - 4.5-9.3 HG2 GLU 95 - HB3 GLU 99 far 0 48 0 - 5.7-9.1 HG2 GLU 95 - HB3 GLU 98 far 0 44 0 - 5.8-8.5 HD3 ARG 81 - HB3 GLU 88 far 0 29 0 - 6.1-9.3 HB2 TYR 4 - HB3 GLU 48 far 0 100 0 - 6.5-8.7 HG2 GLU 95 - HB3 GLU 88 far 0 21 0 - 8.1-10.7 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 4 assignments used, quality = 1.00: * HG2 GLU 48 + HB3 GLU 48 OK 99 100 100 99 2.3-3.0 3.0=94, 2244/6792=28...(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 - 5.7-7.4 HD3 ARG 81 - HB3 GLU 88 far 0 22 0 - 6.1-9.3 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 12 assignments used, quality = 1.00: * HG3 GLU 48 + HB3 GLU 48 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 99 + HB2 GLU 99 OK 69 69 100 100 2.3-2.9 3.0=100 HG3 GLU 99 + HB3 GLU 99 OK 64 64 100 100 2.2-3.0 3.0=100 HG3 GLU 99 - HB2 GLU 98 far 0 60 0 - 3.9-6.2 HG3 GLU 99 - HB3 GLU 98 far 0 59 0 - 4.8-7.2 HG2 GLN 50 - HB3 GLU 48 far 0 79 0 - 5.4-8.4 HG3 GLN 50 - HB3 GLU 48 far 0 100 0 - 6.3-8.8 HG3 MET 1 - HB3 GLU 99 far 0 63 0 - 6.9-10.4 HG3 MET 1 - HB2 GLU 99 far 0 67 0 - 7.3-9.9 HB3 TYR 4 - HB3 GLU 48 far 0 79 0 - 7.7-9.9 HG3 MET 1 - HB3 GLU 48 far 0 99 0 - 9.3-10.9 HG3 GLU 17 - HB3 GLU 88 far 0 31 0 - 10.0-11.8 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 2.5-4.3 6800=100, 6798/3.0=82...(12) H ALA 25 - HB2 GLU 98 far 0 56 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 2244 from cnoeabs.peaks (7.62, 2.33, 35.74 ppm; 4.13 A increased from 3.88 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 48 + HG2 GLU 48 OK 100 100 100 100 2.7-4.2 6792/3.0=77, 2230/3.0=65...(13) H GLU 44 - HG3 GLU 44 far 8 77 10 - 4.4-4.5 HE22 GLN 50 - HG2 GLU 48 far 5 99 5 - 4.0-11.1 H GLU 48 - HG3 GLU 44 far 0 83 0 - 5.3-6.8 H GLU 44 - HG2 GLU 48 far 0 97 0 - 7.8-11.1 HE22 GLN 50 - HG3 GLU 44 far 0 81 0 - 9.9-16.7 Violated in 2 structures by 0.01 A. Peak 2245 from cnoeabs.peaks (4.43, 2.33, 35.74 ppm; 4.13 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 48 + HG2 GLU 48 OK 100 100 100 100 2.1-3.3 4.1=100 HA LEU 2 - HG2 GLU 48 far 0 68 0 - 6.9-8.7 HA GLN 50 - HG2 GLU 48 far 0 77 0 - 7.0-8.8 HA GLU 48 - HG3 GLU 44 far 0 83 0 - 7.5-9.1 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 11 assignments used, quality = 1.00: * HB3 GLU 48 + HG2 GLU 48 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 16 + HG2 GLU 16 OK 60 60 100 100 2.6-2.9 3.0=100 HB2 GLN 50 - HG2 GLU 48 far 0 87 0 - 5.3-8.4 HB3 GLU 48 - HG3 GLU 44 far 0 83 0 - 5.7-7.4 HB3 GLU 43 - HG3 GLU 44 far 0 74 0 - 6.2-6.7 HG2 GLU 28 - HG3 GLU 44 far 0 75 0 - 7.6-10.2 HG3 GLU 28 - HG3 GLU 44 far 0 75 0 - 8.1-10.2 HG2 GLU 28 - HG2 GLU 48 far 0 96 0 - 9.1-13.1 HB2 MET 21 - HG2 GLU 16 far 0 82 0 - 9.3-10.5 HB3 GLU 43 - HG2 GLU 48 far 0 95 0 - 9.7-13.1 HG3 GLU 28 - HG2 GLU 48 far 0 96 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 2248 from cnoeabs.peaks (2.33, 2.33, 35.74 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 GLU 48 + HG2 GLU 48 OK 100 100 - 100 HG3 GLU 69 + HG3 GLU 69 OK 91 91 - 100 HG2 GLU 16 + HG2 GLU 16 OK 82 82 - 100 HG3 GLU 44 + HG3 GLU 44 OK 71 71 - 100 Peak 2249 from cnoeabs.peaks (2.43, 2.33, 35.74 ppm; 2.54 A): 1 out of 9 assignments used, quality = 1.00: * HG3 GLU 48 + HG2 GLU 48 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 50 - HG2 GLU 48 far 0 79 0 - 4.0-8.2 HG3 GLN 50 - HG2 GLU 48 far 0 100 0 - 5.2-9.0 HG3 GLU 48 - HG3 GLU 44 far 0 83 0 - 6.1-8.2 HG3 GLU 17 - HG2 GLU 16 far 0 83 0 - 6.2-8.0 HG2 GLN 72 - HG3 GLU 69 far 0 92 0 - 6.4-7.2 HB2 ASP 11 - HG2 GLU 16 far 0 82 0 - 8.4-10.8 HB3 TYR 4 - HG3 GLU 44 far 0 58 0 - 8.4-9.8 HB3 TYR 4 - HG2 GLU 48 far 0 79 0 - 8.7-12.1 Violated in 0 structures by 0.00 A. Peak 2250 from cnoeabs.peaks (7.72, 2.33, 35.74 ppm; 5.45 A increased from 4.84 A): 1 out of 4 assignments used, quality = 1.00: * H SER 49 + HG2 GLU 48 OK 100 100 100 100 4.6-5.2 6800/3.0=87, 6798/4.1=85...(12) H SER 49 - HG3 GLU 44 far 0 83 0 - 8.0-9.1 H MET 74 - HG3 GLU 69 far 0 80 0 - 8.1-9.1 H LEU 64 - HG3 GLU 69 far 0 91 0 - 8.8-10.0 Violated in 0 structures by 0.00 A. Peak 2251 from cnoeabs.peaks (7.62, 2.43, 35.74 ppm; 4.64 A increased from 4.13 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 48 + HG3 GLU 48 OK 100 100 100 100 4.1-4.6 6794=100, 2244/1.8=90...(13) HE22 GLN 50 - HG3 GLU 48 far 0 99 0 - 5.5-11.0 H GLU 44 - HG3 GLU 48 far 0 97 0 - 9.2-10.9 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 4 assignments used, quality = 1.00: * HA GLU 48 + HG3 GLU 48 OK 100 100 100 100 2.7-3.7 4.1=100 HA LEU 2 - HG3 GLU 48 far 0 68 0 - 5.8-7.0 HA GLN 50 - HG3 GLU 48 far 0 77 0 - 7.1-8.9 HA MET 21 - HG3 GLU 17 far 0 75 0 - 7.5-9.7 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 6 assignments used, quality = 0.97: * HB2 GLU 48 + HG3 GLU 48 OK 92 100 100 92 2.2-2.6 3.0=54, 1.8/2254=19...(18) HG2 GLU 48 + HG3 GLU 48 OK 68 68 100 100 1.8-1.8 1.8=100 HG2 GLU 95 - HG3 GLU 99 far 0 59 0 - 3.6-8.7 HG3 GLU 16 - HG3 GLU 17 far 0 84 0 - 5.8-7.7 HB2 TYR 4 - HG3 GLU 48 far 0 100 0 - 7.6-10.0 HD3 ARG 81 - HG3 GLU 99 far 0 77 0 - 9.4-13.2 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 12 assignments used, quality = 1.00: * HB3 GLU 48 + HG3 GLU 48 OK 99 100 100 99 2.3-3.0 3.0=86, 1.8/2253=45...(19) HB2 GLU 99 + HG3 GLU 99 OK 78 79 100 98 2.3-2.9 3.0=90, 3.9/7612=24...(16) HB3 GLU 99 + HG3 GLU 99 OK 76 77 100 99 2.2-3.0 3.0=90, 3.9/7612=24...(17) HB2 GLU 16 - HG3 GLU 17 far 0 61 0 - 3.7-5.4 HB2 GLU 98 - HG3 GLU 99 far 0 79 0 - 3.9-6.2 HB3 GLU 98 - HG3 GLU 99 far 0 79 0 - 4.8-7.2 HB2 MET 21 - HG3 GLU 17 far 0 84 0 - 6.3-7.7 HB2 GLN 50 - HG3 GLU 48 far 0 87 0 - 6.3-8.0 HG3 GLU 28 - HG3 GLU 48 far 0 96 0 - 8.2-12.5 HG2 GLU 28 - HG3 GLU 48 far 0 96 0 - 8.6-11.3 HB3 LYS 94 - HG3 GLU 99 far 0 61 0 - 9.3-11.2 HB3 GLU 88 - HG3 GLU 17 far 0 58 0 - 10.0-11.8 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 59 68 100 88 2.2-2.6 3.0=52, 1.8/2254=19...(17) HG3 GLU 16 - HG3 GLU 17 far 0 50 0 - 5.8-7.7 HG3 GLU 44 - HG3 GLU 48 far 0 92 0 - 6.1-8.2 HG2 GLU 16 - HG3 GLU 17 far 0 83 0 - 6.2-8.0 HD3 ARG 81 - HG3 GLU 99 far 0 61 0 - 9.4-13.2 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 4.4-6.0 6800/3.0=96, 6798/4.1=94...(12) H SER 85 - HG3 GLU 17 far 0 47 0 - 8.4-10.5 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 2.3-2.8 2.9=100 H VAL 78 - HA SER 49 far 0 79 0 - 8.0-9.1 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): 1 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 far 0 96 0 - 3.7-4.2 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 2.6-3.0 3.0=100 HA GLU 43 - HA SER 49 far 0 84 0 - 9.2-9.7 HA ALA 71 - HA SER 49 far 0 99 0 - 9.7-10.7 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 3.2-3.5 3.6=99 H ASN 51 - HA SER 49 far 0 97 0 - 4.0-4.3 H LEU 2 - HA SER 49 far 0 59 0 - 7.5-8.3 Violated in 0 structures by 0.00 A. Peak 2263 from cnoeabs.peaks (7.72, 4.06, 63.12 ppm; 4.00 A): 1 out of 3 assignments used, quality = 1.00: * H SER 49 + HB2 SER 49 OK 100 100 100 100 2.8-3.9 3.9=100 H VAL 78 - HB2 SER 49 far 0 79 0 - 8.3-9.8 H MET 74 - HB2 SER 49 far 0 91 0 - 9.0-10.6 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 - 8.1-9.6 HA ALA 71 - HB2 SER 49 far 0 99 0 - 8.5-10.7 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 3.0-4.6 4.3=100 H ASN 51 - HB2 SER 49 far 0 97 0 - 5.4-6.2 H LEU 2 - HB2 SER 49 far 0 59 0 - 9.6-10.5 Violated in 2 structures by 0.01 A. Peak 2268 from cnoeabs.peaks (7.72, 3.86, 63.12 ppm; 3.94 A): 1 out of 3 assignments used, quality = 1.00: * H SER 49 + HB3 SER 49 OK 100 100 100 100 2.1-3.1 3.9=100 H VAL 78 - HB3 SER 49 far 0 79 0 - 9.0-10.7 H MET 74 - HB3 SER 49 far 0 91 0 - 9.2-11.3 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 2.6-3.0 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): 1 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 far 10 96 10 - 2.6-3.8 Violated in 0 structures by 0.00 A. Peak 2271 from cnoeabs.peaks (3.86, 3.86, 63.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 49 + HB3 SER 49 OK 100 100 - 100 Peak 2272 from cnoeabs.peaks (8.55, 3.86, 63.12 ppm; 4.52 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 50 + HB3 SER 49 OK 100 100 100 100 3.1-4.2 4.3=100 H ASN 51 - HB3 SER 49 far 0 97 0 - 5.6-6.1 H LEU 2 - HB3 SER 49 far 0 59 0 - 9.9-10.7 Violated in 0 structures by 0.00 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 96 97 100 99 3.5-3.6 3.6=94, 6830/3.0=41...(12) H LEU 2 - HA GLN 50 far 0 59 0 - 8.0-8.8 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 2.4-2.6 3.0=100 HB3 GLU 48 - HA GLN 50 far 0 87 0 - 6.7-7.8 HB3 MET 1 - HA GLN 50 far 0 91 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 2276 from cnoeabs.peaks (2.17, 4.40, 56.27 ppm; 3.45 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 50 + HA GLN 50 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 MET 1 - HA GLN 50 far 0 87 0 - 8.8-9.5 HB2 GLU 75 - HA GLN 50 far 0 59 0 - 9.3-11.4 HB3 GLU 75 - HA GLN 50 far 0 96 0 - 9.7-11.4 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 3 assignments used, quality = 1.00: * HG2 GLN 50 + HA GLN 50 OK 100 100 100 100 2.9-3.8 3.7=100 HG3 GLN 50 + HA GLN 50 OK 75 75 100 100 2.3-3.9 3.7=100 HG3 GLU 48 - HA GLN 50 far 0 79 0 - 7.1-8.9 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 3 assignments used, quality = 1.00: * HG3 GLN 50 + HA GLN 50 OK 99 100 100 99 2.3-3.9 3.7=99 HG2 GLN 50 + HA GLN 50 OK 75 75 100 99 2.9-3.8 3.7=99 HG3 GLU 48 - HA GLN 50 far 0 100 0 - 7.1-8.9 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 99 100 100 99 3.5-3.6 3.6=94, 6830/3.0=43...(12) 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 - 8.0-8.8 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 99 100 100 99 2.4-3.6 6813=93, 6814/1.8=68...(8) H ASN 51 + HB2 GLN 50 OK 90 97 95 97 3.1-4.1 6829=65, 6830/1.8=58...(11) H LEU 2 - HB2 GLN 50 far 0 59 0 - 6.9-9.2 H LYS 12 - HB3 GLU 17 far 0 82 0 - 9.0-9.9 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 2.4-2.6 3.0=100 HA GLU 48 - HB2 GLN 50 far 0 77 0 - 4.2-5.5 HA ALA 25 - HB2 GLU 98 far 0 39 0 - 7.5-9.2 HA SER 102 - HB2 GLU 98 far 0 37 0 - 7.6-13.2 HA SER 102 - HB3 GLU 98 far 0 38 0 - 7.7-12.8 HA MET 21 - HB3 GLU 17 far 0 82 0 - 7.9-8.6 HA ALA 25 - HB3 GLU 98 far 0 40 0 - 8.4-9.9 HA GLU 48 - HB2 GLU 44 far 0 33 0 - 9.4-10.4 HA ILE 76 - HB2 GLN 50 far 0 77 0 - 9.5-11.5 HA GLU 48 - HB3 GLU 44 far 0 33 0 - 9.7-10.6 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 11 assignments used, quality = 1.00: * HB3 GLN 50 + HB2 GLN 50 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 86 - HB3 GLU 17 far 0 74 0 - 4.4-5.4 HB2 GLU 95 - HB2 GLU 98 far 0 28 0 - 4.4-6.5 HB3 GLU 95 - HB2 GLU 98 far 0 38 0 - 4.5-6.2 HB3 GLU 16 - HB3 GLU 17 far 0 85 0 - 5.3-6.0 HB2 GLU 95 - HB3 GLU 98 far 0 29 0 - 5.6-8.2 HB3 GLU 95 - HB3 GLU 98 far 0 40 0 - 5.8-7.8 HG2 GLU 43 - HB2 GLU 44 far 0 47 0 - 6.2-7.2 HG2 GLU 43 - HB3 GLU 44 far 0 47 0 - 6.2-7.1 HG2 MET 1 - HB2 GLN 50 far 0 87 0 - 7.7-10.2 HG2 GLU 88 - HB3 GLU 17 far 0 56 0 - 8.6-10.8 Violated in 0 structures by 0.00 A. Peak 2285 from cnoeabs.peaks (2.40, 2.02, 28.95 ppm; 3.26 A): 3 out of 12 assignments used, quality = 1.00: * HG2 GLN 50 + HB2 GLN 50 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 GLN 50 + HB2 GLN 50 OK 75 75 100 100 2.3-3.0 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 far 0 21 0 - 3.9-6.2 HG3 GLU 99 - HB3 GLU 98 far 0 22 0 - 4.8-7.2 HG3 MET 21 - HB3 GLU 17 far 0 87 0 - 6.1-7.3 HG3 GLU 48 - HB2 GLN 50 far 0 79 0 - 6.3-8.0 HB3 MET 21 - HB3 GLU 17 far 0 87 0 - 7.0-7.9 HB2 ASP 11 - HB3 GLU 17 far 0 58 0 - 7.9-9.7 HG3 GLU 48 - HB2 GLU 44 far 0 34 0 - 7.9-9.9 HG3 GLU 48 - HB3 GLU 44 far 0 34 0 - 8.3-10.3 HG3 MET 1 - HB2 GLN 50 far 0 94 0 - 9.5-11.9 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 14 assignments used, quality = 1.00: * HG3 GLN 50 + HB2 GLN 50 OK 100 100 100 100 2.3-3.0 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 far 0 42 0 - 3.9-6.2 HG3 GLU 99 - HB3 GLU 98 far 0 44 0 - 4.8-7.2 HG3 MET 21 - HB3 GLU 17 far 0 59 0 - 6.1-7.3 HG3 GLU 48 - HB2 GLN 50 far 0 100 0 - 6.3-8.0 HB3 MET 21 - HB3 GLU 17 far 0 58 0 - 7.0-7.9 HB3 TYR 4 - HB2 GLU 44 far 0 36 0 - 7.2-8.3 HB2 ASP 11 - HB3 GLU 17 far 0 87 0 - 7.9-9.7 HG3 GLU 48 - HB2 GLU 44 far 0 51 0 - 7.9-9.9 HG3 GLU 48 - HB3 GLU 44 far 0 51 0 - 8.3-10.3 HB3 TYR 4 - HB3 GLU 44 far 0 36 0 - 8.8-10.0 HG3 MET 1 - HB2 GLN 50 far 0 98 0 - 9.5-11.9 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 4 assignments used, quality = 1.00: H GLN 50 + HB2 GLN 50 OK 96 97 100 99 2.4-3.6 6813=89, 6814/1.8=65...(9) * H ASN 51 + HB2 GLN 50 OK 93 100 95 98 3.1-4.1 6829=67, 6830/1.8=61...(11) H LEU 2 - HB2 GLN 50 far 0 85 0 - 6.9-9.2 H LYS 12 - HB3 GLU 17 far 0 64 0 - 9.0-9.9 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 2.3-2.8 6814=96, 6813/1.8=76...(10) H ASN 51 + HB3 GLN 50 OK 95 97 100 98 2.2-2.8 6830=75, 6829/1.8=62...(11) H LEU 2 - HB3 GLN 50 far 0 59 0 - 6.2-7.5 H LYS 12 - HB3 GLU 16 far 0 75 0 - 6.4-8.9 Violated in 0 structures by 0.00 A. Peak 2290 from cnoeabs.peaks (4.40, 2.17, 28.95 ppm; 3.50 A): 1 out of 6 assignments used, quality = 1.00: * HA GLN 50 + HB3 GLN 50 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 48 - HB3 GLN 50 poor 14 77 50 37 3.5-4.2 12314/6814=18...(6) HA MET 21 - HB3 GLU 23 far 0 62 0 - 5.0-5.4 HA ALA 25 - HB3 GLU 23 far 0 61 0 - 7.5-7.7 HA MET 21 - HB3 GLU 16 far 0 75 0 - 8.8-11.5 HA ILE 76 - HB3 GLN 50 far 0 77 0 - 9.8-10.9 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 - 5.1-6.2 HB3 GLU 17 - HB3 GLU 16 far 0 72 0 - 5.3-6.0 HB2 MET 21 - HB3 GLU 23 far 0 48 0 - 6.6-7.1 HB2 MET 21 - HB3 GLU 16 far 0 59 0 - 7.9-9.9 HB3 MET 1 - HB3 GLN 50 far 0 91 0 - 8.4-9.7 HG12 ILE 93 - HB3 GLU 23 far 0 62 0 - 8.9-10.2 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 2.2-2.5 2.9=100 HG3 GLN 50 + HB3 GLN 50 OK 75 75 100 100 2.4-3.0 2.9=100 HG3 GLU 17 - HB3 GLU 16 far 0 56 0 - 4.6-6.4 HG3 GLU 48 - HB3 GLN 50 far 0 79 0 - 4.6-6.6 HB3 MET 21 - HB3 GLU 23 far 0 67 0 - 6.8-7.2 HG3 MET 21 - HB3 GLU 23 far 0 67 0 - 7.1-7.8 HG3 MET 21 - HB3 GLU 16 far 0 80 0 - 8.6-10.9 HB2 ASP 11 - HB3 GLU 16 far 0 52 0 - 8.6-11.1 HG3 MET 1 - HB3 GLN 50 far 0 94 0 - 9.3-10.4 HB3 MET 21 - HB3 GLU 16 far 0 80 0 - 9.6-11.6 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 2.4-3.0 2.9=100 HG2 GLN 50 + HB3 GLN 50 OK 75 75 100 100 2.2-2.5 2.9=100 HG3 GLU 17 - HB3 GLU 16 far 0 80 0 - 4.6-6.4 HG3 GLU 48 - HB3 GLN 50 far 0 100 0 - 4.6-6.6 HB3 MET 21 - HB3 GLU 23 far 0 42 0 - 6.8-7.2 HG3 MET 21 - HB3 GLU 23 far 0 43 0 - 7.1-7.8 HG3 MET 21 - HB3 GLU 16 far 0 53 0 - 8.6-10.9 HB2 ASP 11 - HB3 GLU 16 far 0 80 0 - 8.6-11.1 HG3 MET 1 - HB3 GLN 50 far 0 98 0 - 9.3-10.4 HB3 MET 21 - HB3 GLU 16 far 0 52 0 - 9.6-11.6 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 2.2-2.8 6830=78, 6829/1.8=64...(11) H GLN 50 + HB3 GLN 50 OK 97 97 100 100 2.3-2.8 6814=92, 6813/1.8=72...(11) H LEU 2 - HB3 GLN 50 far 0 85 0 - 6.2-7.5 H LYS 12 - HB3 GLU 16 far 0 58 0 - 6.4-8.9 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 = 0.96: * H GLN 50 + HG2 GLN 50 OK 84 100 85 99 2.0-4.6 6813/2.9=68, 6814/2.9=66...(15) H ASN 51 + HG2 GLN 50 OK 76 97 80 98 3.5-4.9 6830/2.9=58, 6829/2.9=57...(12) H LEU 2 - HG2 GLN 50 far 0 59 0 - 7.0-9.2 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 4 assignments used, quality = 1.00: * HA GLN 50 + HG2 GLN 50 OK 100 100 100 100 2.9-3.8 3.7=100 HA GLU 48 + HG2 GLN 50 OK 21 77 60 46 2.7-6.7 12314/5.1=17, 2290/2.9=9...(9) HA ILE 76 - HG2 GLN 72 far 0 47 0 - 7.0-7.8 HA MET 74 - HG2 GLN 72 far 0 70 0 - 8.2-8.8 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 - 5.4-8.4 HB3 MET 1 - HG2 GLN 50 far 0 91 0 - 8.1-11.6 QE MET 74 - HG2 GLN 72 far 0 58 0 - 8.4-9.3 HB2 MET 74 - HG2 GLN 72 far 0 35 0 - 8.6-9.1 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 2.2-2.5 2.9=100 HB2 GLN 72 + HG2 GLN 72 OK 68 68 100 100 2.4-2.7 3.0=100 HG2 GLU 75 - HG2 GLN 72 far 0 71 0 - 6.5-9.2 HB2 GLU 75 - HG2 GLN 72 far 0 35 0 - 6.9-8.5 HG2 MET 1 - HG2 GLN 50 far 0 87 0 - 7.5-10.6 HG3 GLU 75 - HG2 GLN 72 far 0 71 0 - 7.5-9.3 HB3 GLU 75 - HG2 GLN 72 far 0 65 0 - 7.7-8.8 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 = 0.96: H GLN 50 + HG2 GLN 50 OK 82 97 85 99 2.0-4.6 6813/2.9=65, 6814/2.9=63...(16) * H ASN 51 + HG2 GLN 50 OK 79 100 80 98 3.5-4.9 6830/2.9=61, 6829/2.9=60...(14) H LEU 2 - HG2 GLN 50 far 0 85 0 - 7.0-9.2 H ARG 79 - HG2 GLN 72 far 0 41 0 - 9.0-9.8 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 = 0.96: * H GLN 50 + HG3 GLN 50 OK 94 100 95 99 1.9-4.6 6813/2.9=69, 6814/2.9=67...(14) H ASN 51 + HG3 GLN 50 OK 33 97 35 98 3.7-5.0 6830/2.9=60, 6829/2.9=59...(13) H LEU 2 - HG3 GLN 50 far 0 59 0 - 7.1-9.7 Violated in 0 structures by 0.00 A. Peak 2306 from cnoeabs.peaks (4.40, 2.43, 33.91 ppm; 3.86 A): 1 out of 5 assignments used, quality = 1.00: * HA GLN 50 + HG3 GLN 50 OK 100 100 100 100 2.3-3.9 3.7=100 HA GLU 48 - HG3 GLN 50 poor 19 77 25 - 3.6-6.6 HA ILE 76 - HG2 GLN 72 far 0 72 0 - 7.0-7.8 HA MET 74 - HG2 GLN 72 far 0 97 0 - 8.2-8.8 HA ILE 76 - HG3 GLN 50 far 0 77 0 - 9.2-12.1 Violated in 1 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 2.3-3.0 2.9=100 HB3 GLU 48 - HG3 GLN 50 far 0 87 0 - 6.3-8.8 HB3 MET 1 - HG3 GLN 50 far 0 91 0 - 8.0-12.1 QE MET 74 - HG2 GLN 72 far 0 85 0 - 8.4-9.3 HB2 MET 74 - HG2 GLN 72 far 0 55 0 - 8.6-9.1 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 8 assignments used, quality = 1.00: * HB3 GLN 50 + HG3 GLN 50 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 GLN 72 + HG2 GLN 72 OK 95 95 100 100 2.4-2.7 3.0=100 HG2 GLU 75 - HG2 GLN 72 far 0 98 0 - 6.5-9.2 HB2 GLU 75 - HG2 GLN 72 far 0 55 0 - 6.9-8.5 HG3 GLU 75 - HG2 GLN 72 far 0 98 0 - 7.5-9.3 HB3 GLU 75 - HG2 GLN 72 far 0 92 0 - 7.7-8.8 HG2 MET 1 - HG3 GLN 50 far 0 87 0 - 8.1-10.9 HB2 GLU 75 - HG3 GLN 50 far 0 59 0 - 9.8-14.2 Violated in 0 structures by 0.00 A. Peak 2309 from cnoeabs.peaks (2.40, 2.43, 33.91 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: HG2 GLN 72 + HG2 GLN 72 OK 82 82 - 100 HG3 GLN 50 + HG3 GLN 50 OK 75 75 - 100 Reference assignment not found: HG2 GLN 50 - HG3 GLN 50 Peak 2310 from cnoeabs.peaks (2.43, 2.43, 33.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 50 + HG3 GLN 50 OK 100 100 - 100 HG2 GLN 72 + HG2 GLN 72 OK 97 97 - 100 Peak 2312 from cnoeabs.peaks (8.53, 2.43, 33.91 ppm; 4.17 A): 2 out of 4 assignments used, quality = 0.94: H GLN 50 + HG3 GLN 50 OK 92 97 95 99 1.9-4.6 6813/2.9=66, 6814/2.9=64...(15) * H ASN 51 + HG3 GLN 50 OK 34 100 35 98 3.7-5.0 6830/2.9=62, 6829/2.9=61...(13) H LEU 2 - HG3 GLN 50 far 0 85 0 - 7.1-9.7 H ARG 79 - HG2 GLN 72 far 0 63 0 - 9.0-9.8 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 2.9-2.9 3.0=100 H LEU 2 - HA ASN 51 far 0 85 0 - 4.3-4.8 H GLN 50 - HA ASN 51 far 0 97 0 - 4.8-5.3 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 2.2-2.4 3.0=100 HB3 PHE 45 - HA ASN 51 far 0 91 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 2316 from cnoeabs.peaks (2.67, 4.98, 52.80 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 51 + HA ASN 51 OK 100 100 100 100 2.8-3.0 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 3.8-4.8 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 2.6-3.1 6854=100, 6853/3.0=45...(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 3.8-4.0 6835=93, 6836/1.8=86...(9) H LEU 2 + HB2 ASN 51 OK 74 85 100 86 3.4-3.8 3.6/9131=42, 2327/1.8=34...(8) H GLN 50 - HB2 ASN 51 far 0 97 0 - 5.8-6.8 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 2.2-2.4 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 3.3-4.1 3.5=100 QE PHE 96 - HB2 ASN 51 far 0 92 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 2325 from cnoeabs.peaks (7.68, 2.95, 39.58 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 51 + HB2 ASN 51 OK 100 100 100 100 2.1-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 2326 from cnoeabs.peaks (7.49, 2.95, 39.58 ppm; 4.66 A increased from 4.38 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 52 + HB2 ASN 51 OK 100 100 100 100 4.4-4.7 4.6=100 Violated in 0 structures by 0.00 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 3.0-3.5 6836=100, 6835/1.8=65...(12) H LEU 2 + HB3 ASN 51 OK 73 85 100 85 2.4-3.7 3.6/8006=35, 2320/1.8=29...(10) H GLN 50 - HB3 ASN 51 far 0 97 0 - 5.6-6.0 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 2.8-3.0 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 - 9.6-10.3 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 2.1-3.9 3.5=100 QE PHE 96 - HB3 ASN 51 far 0 92 0 - 9.4-10.4 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 4.1-4.3 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 H LYS 47 - HA ILE 52 far 0 90 0 - 8.4-9.1 HZ2 TRP 92 - HA THR 80 far 0 69 0 - 8.5-10.1 Violated in 0 structures by 0.00 A. Peak 2335 from cnoeabs.peaks (5.34, 5.34, 59.36 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ILE 52 + HA ILE 52 OK 100 100 - 100 HA THR 80 + HA THR 80 OK 69 69 - 100 Peak 2336 from cnoeabs.peaks (1.67, 5.34, 59.36 ppm; 3.41 A): 2 out of 10 assignments used, quality = 1.00: * HB ILE 52 + HA ILE 52 OK 100 100 100 100 2.5-2.7 3.0=100 HB2 LEU 2 + HA ILE 52 OK 72 75 100 95 1.9-2.3 1.8/8047=32, 4.0/8044=30...(17) HB3 ARG 79 - HA THR 80 far 0 62 0 - 4.4-4.8 HB3 LYS 53 - HA ILE 52 far 0 96 0 - 4.6-4.8 HD3 LYS 68 - HA THR 80 far 0 60 0 - 6.1-8.2 HD2 LYS 68 - HA THR 80 far 0 60 0 - 6.4-8.3 HG2 LYS 68 - HA THR 80 far 0 49 0 - 6.8-7.1 HB3 LEU 6 - HA THR 80 far 0 56 0 - 7.7-8.3 HB ILE 76 - HA ILE 52 far 0 84 0 - 9.3-10.3 HB ILE 76 - HA THR 80 far 0 52 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 2337 from cnoeabs.peaks (0.78, 5.34, 59.36 ppm; 3.46 A): 2 out of 21 assignments used, quality = 1.00: * QG2 ILE 52 + HA ILE 52 OK 100 100 100 100 3.1-3.2 3.2=100 QD1 LEU 64 + HA THR 80 OK 35 37 100 96 3.4-3.7 7318/7311=30...(16) QD2 LEU 57 - HA THR 80 poor 17 61 65 42 3.6-4.7 10667/9299=14...(5) QD2 LEU 2 - HA ILE 52 far 0 77 0 - 4.2-4.6 HG3 ARG 81 - HA THR 80 far 0 34 0 - 5.3-6.3 QG1 VAL 54 - HA THR 80 far 0 61 0 - 5.9-6.5 QG1 VAL 78 - HA THR 80 far 0 42 0 - 6.2-7.0 QG1 VAL 78 - HA ILE 52 far 0 71 0 - 6.5-7.6 QD1 LEU 6 - HA THR 80 far 0 68 0 - 6.9-7.4 QG1 VAL 54 - HA ILE 52 far 0 95 0 - 7.2-7.7 QD2 LEU 42 - HA THR 80 far 0 65 0 - 7.3-7.9 QD1 LEU 27 - HA ILE 52 far 0 99 0 - 7.9-8.9 QD1 ILE 76 - HA ILE 52 far 0 90 0 - 8.1-9.1 QD2 LEU 42 - HA ILE 52 far 0 98 0 - 8.2-8.8 QG2 ILE 8 - HA THR 80 far 0 68 0 - 8.4-8.8 QD1 LEU 70 - HA THR 80 far 0 37 0 - 8.6-9.4 QD1 LEU 6 - HA ILE 52 far 0 99 0 - 9.4-10.1 QD1 ILE 76 - HA THR 80 far 0 56 0 - 9.6-10.1 QD1 ILE 93 - HA THR 80 far 0 67 0 - 9.7-10.3 QG2 ILE 7 - HA THR 80 far 0 58 0 - 9.7-9.9 HG13 ILE 93 - HA THR 80 far 0 40 0 - 9.9-10.7 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 2.7-3.3 3.8=100 HB3 ARG 81 + HA THR 80 OK 49 62 80 97 4.2-4.7 7316/7311=66...(13) HB3 LEU 55 - HA THR 80 far 0 64 0 - 6.5-7.1 QG1 VAL 83 - HA THR 80 far 0 45 0 - 6.7-7.4 HG2 LYS 82 - HA THR 80 far 0 57 0 - 8.2-8.6 HB3 LEU 55 - HA ILE 52 far 0 97 0 - 9.6-11.2 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 11 assignments used, quality = 1.00: * HG13 ILE 52 + HA ILE 52 OK 100 100 100 100 2.0-2.5 3.8=100 HG3 LYS 53 + HA ILE 52 OK 89 99 100 90 3.5-4.0 5.0/6868=39, ~10852=29...(13) HG2 LYS 53 + HA ILE 52 OK 54 100 70 77 3.8-4.5 5.0/6868=39...(7) HG LEU 64 - HA THR 80 far 0 55 0 - 5.6-6.1 HD2 LYS 53 - HA ILE 52 far 0 100 0 - 5.7-6.2 HB3 LEU 64 - HA THR 80 far 0 42 0 - 6.1-6.6 HG LEU 38 - HA THR 80 far 0 69 0 - 7.9-8.7 HD2 LYS 82 - HA THR 80 far 0 69 0 - 8.8-9.6 HG13 ILE 76 - HA ILE 52 far 0 91 0 - 9.2-10.4 HG12 ILE 7 - HA THR 80 far 0 42 0 - 9.3-9.5 HG2 LYS 47 - HA ILE 52 far 0 70 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 2340 from cnoeabs.peaks (0.69, 5.34, 59.36 ppm; 3.87 A): 2 out of 14 assignments used, quality = 1.00: * QD1 ILE 52 + HA ILE 52 OK 100 100 100 100 3.4-3.8 4.1=84, 2377/3.2=69...(19) QD1 ILE 56 + HA THR 80 OK 65 65 100 100 3.7-4.2 10682/3.2=58...(18) QG2 VAL 78 - HA THR 80 poor 18 50 35 - 4.1-4.7 QG1 VAL 58 - HA THR 80 far 0 52 0 - 4.6-5.1 QG2 VAL 58 - HA THR 80 far 0 60 0 - 4.9-5.6 QG2 VAL 54 - HA ILE 52 far 0 57 0 - 5.0-5.4 HG13 ILE 56 - HA THR 80 far 0 58 0 - 5.1-5.5 QD1 ILE 8 - HA THR 80 far 0 63 0 - 6.3-6.8 QG1 VAL 5 - HA THR 80 far 0 44 0 - 6.7-7.1 QD2 LEU 27 - HA ILE 52 far 0 68 0 - 7.0-8.1 QG2 VAL 54 - HA THR 80 far 0 33 0 - 7.8-8.4 QD1 LEU 42 - HA THR 80 far 0 69 0 - 7.8-8.4 QD2 LEU 6 - HA THR 80 far 0 68 0 - 8.6-9.0 QG2 VAL 78 - HA ILE 52 far 0 82 0 - 9.0-9.9 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 2.2-2.3 6868=100, 6870/3.2=36...(22) H ARG 79 - HA THR 80 far 0 44 0 - 4.8-5.0 H VAL 54 - HA ILE 52 far 0 88 0 - 5.8-6.4 H ALA 67 - HA THR 80 far 0 65 0 - 7.2-7.5 H VAL 54 - HA THR 80 far 0 55 0 - 7.9-8.8 H ARG 79 - HA ILE 52 far 0 73 0 - 9.1-9.9 H ILE 7 - HA THR 80 far 0 67 0 - 9.5-9.9 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 2.4-2.9 3.8=100 H LYS 47 - HB ILE 52 far 0 90 0 - 6.1-6.6 HE ARG 46 - HB ILE 52 far 0 87 0 - 8.8-11.7 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 2.5-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 2344 from cnoeabs.peaks (1.67, 1.67, 42.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 52 + HB ILE 52 OK 100 100 - 100 Peak 2345 from cnoeabs.peaks (0.78, 1.67, 42.16 ppm; 3.49 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 52 + HB ILE 52 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 2 + HB ILE 52 OK 49 77 65 97 3.5-5.0 ~12039=27, ~10640=24...(29) QG1 VAL 78 - HB ILE 52 far 0 71 0 - 6.5-7.7 QD1 ILE 76 - HB ILE 52 far 0 90 0 - 6.8-8.1 QG1 VAL 54 - HB ILE 52 far 0 95 0 - 7.4-8.1 QD2 LEU 42 - HB ILE 52 far 0 98 0 - 7.5-8.1 QD1 LEU 6 - HB ILE 52 far 0 99 0 - 9.1-9.8 QD1 LEU 27 - HB ILE 52 far 0 99 0 - 9.5-10.7 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 3.0-3.0 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 2.4-2.7 3.0=100 HG2 LYS 53 - HB ILE 52 far 0 100 0 - 5.7-6.2 HG3 LYS 53 - HB ILE 52 far 0 99 0 - 5.7-6.4 HG13 ILE 76 - HB ILE 52 far 0 91 0 - 7.5-9.1 HG2 LYS 47 - HB ILE 52 far 0 70 0 - 7.7-8.9 HD2 LYS 53 - HB ILE 52 far 0 100 0 - 7.9-8.5 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 5 assignments used, quality = 1.00: * QD1 ILE 52 + HB ILE 52 OK 100 100 100 100 2.2-2.5 3.2=100 QG2 VAL 54 - HB ILE 52 far 0 57 0 - 5.1-5.7 QD2 LEU 27 - HB ILE 52 far 0 68 0 - 8.4-9.9 QG2 VAL 78 - HB ILE 52 far 0 82 0 - 9.1-10.2 QD1 LEU 42 - HB ILE 52 far 0 100 0 - 9.9-10.5 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 2 assignments used, quality = 1.00: * H LYS 53 + HB ILE 52 OK 100 100 100 100 4.0-4.2 4.5=81, 6868/3.0=81...(13) H VAL 54 - HB ILE 52 far 0 88 0 - 6.6-7.7 Violated in 0 structures by 0.00 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 2.0-2.6 6861=100, 6860/2.1=77...(15) H LYS 47 - QG2 ILE 52 far 0 90 0 - 4.5-5.3 H LEU 38 - QG2 ILE 8 far 0 34 0 - 5.8-6.8 HE ARG 46 - QG2 ILE 52 far 0 87 0 - 5.9-8.3 Violated in 0 structures by 0.00 A. Peak 2351 from cnoeabs.peaks (5.34, 0.78, 17.78 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 52 + QG2 ILE 52 OK 100 100 100 100 3.1-3.2 3.2=100 HA THR 80 - QG2 ILE 8 far 0 67 0 - 8.4-8.8 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 HB2 LEU 2 - QG2 ILE 52 far 0 75 0 - 4.1-4.3 HB ILE 76 - QG2 ILE 52 far 0 84 0 - 5.0-6.0 HB3 LYS 53 - QG2 ILE 52 far 0 96 0 - 5.1-5.7 HB3 LEU 6 - QG2 ILE 8 far 0 55 0 - 5.7-6.4 HG12 ILE 15 - QG2 ILE 8 far 0 54 0 - 6.1-6.9 HD2 LYS 47 - QG2 ILE 52 far 0 99 0 - 7.0-8.9 HD3 LYS 47 - QG2 ILE 52 far 0 99 0 - 7.1-8.9 HG LEU 70 - QG2 ILE 8 far 0 48 0 - 8.9-10.0 HD2 LYS 12 - QG2 ILE 8 far 0 46 0 - 9.0-12.2 HD3 LYS 66 - QG2 ILE 8 far 0 44 0 - 9.0-9.7 HB3 ARG 79 - QG2 ILE 52 far 0 96 0 - 9.1-10.5 HD3 LYS 12 - QG2 ILE 8 far 0 46 0 - 9.3-11.9 HG2 LYS 68 - QG2 ILE 8 far 0 48 0 - 9.3-9.8 HB2 LYS 40 - QG2 ILE 8 far 0 53 0 - 9.4-10.8 HD2 LYS 68 - QG2 ILE 8 far 0 60 0 - 9.9-12.0 HD3 LYS 68 - QG2 ILE 8 far 0 59 0 - 10.0-12.1 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 2.1-2.4 3.2=100 HG2 LYS 82 - QG2 ILE 8 far 0 56 0 - 6.8-7.7 QG1 VAL 83 - QG2 ILE 8 far 0 44 0 - 7.7-8.5 HB3 LEU 55 - QG2 ILE 52 far 0 97 0 - 8.3-9.9 HB3 ARG 81 - QG2 ILE 8 far 0 61 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 2355 from cnoeabs.peaks (1.46, 0.78, 17.78 ppm; 3.68 A): 1 out of 16 assignments used, quality = 1.00: * HG13 ILE 52 + QG2 ILE 52 OK 100 100 100 100 3.1-3.2 3.2=100 HG2 LYS 53 - QG2 ILE 52 far 0 100 0 - 4.1-4.5 HG13 ILE 76 - QG2 ILE 52 far 0 91 0 - 4.6-5.7 HG3 LYS 53 - QG2 ILE 52 far 0 99 0 - 4.8-5.5 HB2 LEU 38 - QG2 ILE 8 far 0 68 0 - 5.1-7.1 HG LEU 38 - QG2 ILE 8 far 0 68 0 - 5.3-6.0 HG12 ILE 7 - QG2 ILE 8 far 0 42 0 - 5.8-6.5 HG2 LYS 47 - QG2 ILE 52 far 0 70 0 - 6.1-7.5 HD2 LYS 53 - QG2 ILE 52 far 0 100 0 - 6.3-6.9 HB3 LEU 64 - QG2 ILE 8 far 0 42 0 - 6.6-7.2 HG3 LYS 66 - QG2 ILE 8 far 0 38 0 - 7.2-7.8 HG2 LYS 66 - QG2 ILE 8 far 0 40 0 - 7.5-8.3 HD2 LYS 82 - QG2 ILE 8 far 0 68 0 - 8.1-9.2 HG LEU 64 - QG2 ILE 8 far 0 54 0 - 8.4-8.9 HG LEU 29 - QG2 ILE 8 far 0 55 0 - 9.1-9.8 HG2 LYS 12 - QG2 ILE 8 far 0 64 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 2356 from cnoeabs.peaks (0.69, 0.78, 17.78 ppm; 2.75 A): 3 out of 21 assignments used, quality = 0.99: * QD1 ILE 52 + QG2 ILE 52 OK 98 100 100 98 2.0-2.4 2377=74, 2.1/2369=36...(21) QD1 ILE 8 + QG2 ILE 8 OK 58 62 100 93 1.9-2.2 3.0=81, 2.1/302=18...(12) QG1 VAL 58 + QG2 ILE 8 OK 21 51 45 94 2.7-3.2 10224/2.1=32...(23) QG2 VAL 54 - QG2 ILE 52 poor 14 57 25 - 2.7-3.5 QG2 VAL 58 - QG2 ILE 8 far 0 59 0 - 4.3-4.9 QD2 LEU 14 - QG2 ILE 8 far 0 63 0 - 5.2-5.7 QD2 LEU 6 - QG2 ILE 8 far 0 67 0 - 5.8-6.6 QG2 VAL 78 - QG2 ILE 52 far 0 82 0 - 6.0-7.0 QD1 ILE 56 - QG2 ILE 8 far 0 64 0 - 6.3-6.7 QD1 LEU 14 - QG2 ILE 8 far 0 60 0 - 6.4-7.2 QD1 LEU 42 - QG2 ILE 52 far 0 100 0 - 6.8-7.4 HG13 ILE 56 - QG2 ILE 8 far 0 58 0 - 7.0-7.5 QD1 ILE 56 - QG2 ILE 52 far 0 98 0 - 7.1-7.8 QG1 VAL 5 - QG2 ILE 8 far 0 43 0 - 7.7-7.9 QD2 LEU 27 - QG2 ILE 52 far 0 68 0 - 7.9-9.0 QD1 LEU 42 - QG2 ILE 8 far 0 67 0 - 7.9-8.5 QD2 LEU 6 - QG2 ILE 52 far 0 99 0 - 8.0-8.6 HG13 ILE 56 - QG2 ILE 52 far 0 92 0 - 8.6-9.6 QG1 VAL 5 - QG2 ILE 52 far 0 73 0 - 8.7-9.6 QG2 VAL 78 - QG2 ILE 8 far 0 49 0 - 8.8-9.2 QG2 VAL 54 - QG2 ILE 8 far 0 32 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 2357 from cnoeabs.peaks (8.47, 0.78, 17.78 ppm; 3.78 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 53 + QG2 ILE 52 OK 100 100 100 100 3.1-3.7 6870=90, 6868/3.2=66...(14) H VAL 54 + QG2 ILE 52 OK 21 88 30 78 3.6-5.3 4.7/6870=36...(9) H VAL 32 - QG2 ILE 8 far 10 64 15 - 3.8-4.9 H ILE 7 - QG2 ILE 8 far 0 66 0 - 6.2-6.6 H ALA 67 - QG2 ILE 8 far 0 64 0 - 6.3-6.7 H ARG 79 - QG2 ILE 52 far 0 73 0 - 6.9-8.1 H THR 31 - QG2 ILE 8 far 0 47 0 - 7.6-8.7 Violated in 0 structures by 0.00 A. Peak 2358 from cnoeabs.peaks (7.49, 1.04, 27.19 ppm; 4.78 A increased from 4.25 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 52 + HG12 ILE 52 OK 100 100 100 100 4.5-4.7 6862=100, 6860/3.0=86...(10) H LYS 47 - HG12 ILE 52 far 0 90 0 - 6.6-7.8 HE ARG 46 - HG12 ILE 52 far 0 87 0 - 9.2-12.0 Violated in 0 structures by 0.00 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 2.7-3.3 3.8=100 Violated in 0 structures by 0.00 A. Peak 2360 from cnoeabs.peaks (1.67, 1.04, 27.19 ppm; 3.75 A): 2 out of 6 assignments used, quality = 1.00: * HB ILE 52 + HG12 ILE 52 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LEU 2 + HG12 ILE 52 OK 66 75 90 97 3.3-4.1 8051=41, 1.8/8052=35...(17) HB3 LYS 53 - HG12 ILE 52 far 0 96 0 - 4.9-5.7 HB ILE 76 - HG12 ILE 52 far 0 84 0 - 7.1-8.6 HD3 LYS 47 - HG12 ILE 52 far 0 99 0 - 9.1-11.4 HB3 ARG 79 - HG12 ILE 52 far 0 96 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 2361 from cnoeabs.peaks (0.78, 1.04, 27.19 ppm; 3.56 A): 1 out of 8 assignments used, quality = 1.00: * QG2 ILE 52 + HG12 ILE 52 OK 100 100 100 100 2.1-2.4 3.2=100 QG1 VAL 78 - HG12 ILE 52 far 0 71 0 - 4.5-6.0 QG1 VAL 54 - HG12 ILE 52 far 0 95 0 - 4.9-5.7 QD2 LEU 2 - HG12 ILE 52 far 0 77 0 - 5.1-5.9 QD2 LEU 42 - HG12 ILE 52 far 0 98 0 - 5.6-6.6 QD1 ILE 76 - HG12 ILE 52 far 0 90 0 - 5.9-7.3 QD1 LEU 6 - HG12 ILE 52 far 0 99 0 - 6.9-7.6 QD1 LEU 27 - HG12 ILE 52 far 0 99 0 - 7.9-9.3 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 7 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 - 5.0-5.8 HG3 LYS 53 - HG12 ILE 52 far 0 99 0 - 5.1-5.9 HD2 LYS 53 - HG12 ILE 52 far 0 100 0 - 7.1-8.0 HG13 ILE 76 - HG12 ILE 52 far 0 91 0 - 7.2-8.7 HG2 LYS 47 - HG12 ILE 52 far 0 70 0 - 7.9-10.3 HB2 LEU 27 - HG12 ILE 52 far 0 100 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 2364 from cnoeabs.peaks (0.69, 1.04, 27.19 ppm; 3.42 A): 2 out of 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 OK 33 57 100 58 2.6-3.3 9240=24, 10208/1.8=18...(9) QD2 LEU 27 - HG12 ILE 52 far 0 68 0 - 7.1-9.0 QG2 VAL 78 - HG12 ILE 52 far 0 82 0 - 7.2-8.5 QD1 ILE 56 - HG12 ILE 52 far 0 98 0 - 8.1-9.0 QD1 LEU 42 - HG12 ILE 52 far 0 100 0 - 8.2-9.2 QD2 LEU 6 - HG12 ILE 52 far 0 99 0 - 8.2-8.7 QG1 VAL 5 - HG12 ILE 52 far 0 73 0 - 8.6-9.5 HG13 ILE 56 - HG12 ILE 52 far 0 92 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 2365 from cnoeabs.peaks (8.47, 1.04, 27.19 ppm; 4.89 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 53 + HG12 ILE 52 OK 100 100 100 100 2.1-3.1 6871=100, 6868/3.8=83...(14) H VAL 54 + HG12 ILE 52 OK 71 88 90 90 4.0-5.3 4.0/9240=64, 4.7/6871=53...(5) H ARG 79 - HG12 ILE 52 far 0 73 0 - 7.7-8.9 Violated in 0 structures by 0.00 A. Peak 2366 from cnoeabs.peaks (7.49, 1.46, 27.19 ppm; 4.59 A increased from 3.87 A): 3 out of 5 assignments used, quality = 1.00: * H ILE 52 + HG13 ILE 52 OK 100 100 100 100 4.3-4.6 6860/3.0=83, 6861/3.2=79...(13) H LEU 38 + HG LEU 38 OK 50 50 100 99 4.5-4.5 5.3=66, 6588/3.0=44...(16) H ARG 91 + HG3 ARG 91 OK 44 44 100 100 4.3-4.5 4.8=90, 7442/2.8=75...(12) HZ2 TRP 92 - HG3 ARG 91 far 0 57 0 - 6.0-8.4 H LYS 47 - HG13 ILE 52 far 0 90 0 - 7.3-7.8 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 2.0-2.5 3.8=100 HA THR 80 - HG LEU 64 far 0 64 0 - 5.6-6.1 HA THR 80 - HG LEU 38 far 0 92 0 - 7.9-8.7 Violated in 0 structures by 0.00 A. Peak 2368 from cnoeabs.peaks (1.67, 1.46, 27.19 ppm; 3.06 A): 4 out of 28 assignments used, quality = 1.00: * HB ILE 52 + HG13 ILE 52 OK 100 100 100 100 2.4-2.7 3.0=100 HB2 LEU 2 + HG13 ILE 52 OK 64 75 100 85 1.9-2.5 3.1/12039=37...(15) HB3 ARG 91 + HG3 ARG 91 OK 53 53 100 100 2.3-3.0 2.8=100 HD2 LYS 68 + HG LEU 64 OK 21 56 45 82 2.2-5.1 10264/2.1=45, ~12320=15...(16) HD3 LYS 68 - HG LEU 64 far 8 56 15 - 2.3-5.0 HG2 LYS 68 - HG LEU 64 far 2 46 5 - 3.3-3.8 HB3 LEU 6 - HG LEU 38 far 0 78 0 - 5.1-5.8 HB3 LYS 53 - HG13 ILE 52 far 0 96 0 - 5.3-6.1 HG LEU 70 - HG LEU 38 far 0 70 0 - 5.6-6.7 HB3 LEU 6 - HG LEU 29 far 0 54 0 - 6.0-6.5 HD2 LYS 39 - HG LEU 38 far 0 85 0 - 7.4-9.1 HG12 ILE 15 - HG LEU 29 far 0 53 0 - 7.6-9.0 HD3 LYS 66 - HG LEU 38 far 0 64 0 - 7.9-8.9 HG2 LYS 68 - HG LEU 38 far 0 70 0 - 8.1-8.8 HB2 LYS 40 - HG LEU 38 far 0 76 0 - 8.3-8.6 HD3 LYS 66 - HG LEU 64 far 0 42 0 - 8.3-9.0 HD3 LYS 90 - HG3 ARG 91 far 0 42 0 - 8.3-9.8 HD3 LYS 47 - HG13 ILE 52 far 0 99 0 - 8.7-11.3 HB ILE 76 - HG13 ILE 52 far 0 84 0 - 8.8-10.2 HD3 LYS 39 - HG LEU 38 far 0 68 0 - 8.9-9.9 HB3 ARG 79 - HG LEU 64 far 0 58 0 - 8.9-10.4 HD3 LYS 20 - HG LEU 29 far 0 67 0 - 9.3-12.8 HB ILE 76 - HG LEU 38 far 0 73 0 - 9.3-9.9 HG3 LYS 20 - HG LEU 29 far 0 67 0 - 9.5-11.8 HB3 LYS 40 - HG LEU 38 far 0 88 0 - 9.5-10.2 HG LEU 70 - HG LEU 64 far 0 46 0 - 9.7-10.5 HD2 LYS 68 - HG LEU 38 far 0 83 0 - 9.8-11.4 HD3 LYS 68 - HG LEU 38 far 0 82 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 2369 from cnoeabs.peaks (0.78, 1.46, 27.19 ppm; 3.12 A): 2 out of 45 assignments used, quality = 0.99: * QG2 ILE 52 + HG13 ILE 52 OK 99 100 100 99 3.1-3.2 3.2=92, 2377/2.1=65...(15) QD1 LEU 64 + HG LEU 64 OK 34 34 100 100 2.1-2.1 2.1=100 QD1 LEU 70 - HG LEU 38 lone 3 54 45 12 2.8-3.9 ~12070=4, 1631/3.0=3...(5) QG2 ILE 7 - HG LEU 29 far 0 57 0 - 3.8-4.4 QD2 LEU 2 - HG13 ILE 52 far 0 77 0 - 3.8-4.5 QD1 LEU 6 - HG LEU 38 far 0 91 0 - 4.0-4.7 QD1 ILE 93 - HG LEU 29 far 0 65 0 - 4.4-5.5 QD2 LEU 42 - HG LEU 38 far 0 89 0 - 5.2-5.9 QG2 ILE 93 - HG LEU 29 far 0 47 0 - 5.2-5.9 QG2 ILE 8 - HG LEU 38 far 0 91 0 - 5.3-6.0 QG2 ILE 15 - HG LEU 29 far 0 43 0 - 5.3-6.4 QD2 LEU 70 - HG LEU 38 far 0 68 0 - 5.4-6.2 QD2 LEU 57 - HG LEU 29 far 0 59 0 - 5.7-7.6 QG1 VAL 78 - HG13 ILE 52 far 0 71 0 - 5.9-7.4 QG1 VAL 54 - HG13 ILE 52 far 0 95 0 - 5.9-6.9 QG1 VAL 54 - HG LEU 29 far 0 59 0 - 6.0-7.0 QG1 VAL 54 - HG LEU 38 far 0 84 0 - 6.1-6.8 HG13 ILE 93 - HG LEU 29 far 0 38 0 - 6.3-7.4 QD1 LEU 6 - HG LEU 29 far 0 66 0 - 6.5-6.9 QD1 LEU 27 - HG LEU 29 far 0 65 0 - 6.5-7.2 QG1 VAL 78 - HG LEU 38 far 0 61 0 - 6.6-7.3 QD2 LEU 42 - HG13 ILE 52 far 0 98 0 - 7.0-7.8 QD1 ILE 76 - HG13 ILE 52 far 0 90 0 - 7.2-8.4 QD1 ILE 93 - HG3 ARG 91 far 0 55 0 - 7.3-8.2 QD2 LEU 57 - HG LEU 64 far 0 57 0 - 7.4-9.0 QD1 ILE 76 - HG LEU 38 far 0 78 0 - 7.4-8.0 QD1 LEU 64 - HG LEU 38 far 0 54 0 - 7.4-8.4 HG13 ILE 15 - HG LEU 29 far 0 52 0 - 7.6-9.5 QD1 LEU 27 - HG13 ILE 52 far 0 99 0 - 7.6-8.6 QG2 ILE 93 - HG3 ARG 91 far 0 39 0 - 7.7-8.4 HG13 ILE 93 - HG3 ARG 91 far 0 32 0 - 7.7-8.4 HG3 ARG 81 - HG3 ARG 91 far 0 27 0 - 7.8-10.4 QD2 LEU 57 - HG3 ARG 91 far 0 50 0 - 7.8-9.3 QD1 ILE 15 - HG LEU 29 far 0 58 0 - 7.9-9.0 QD1 LEU 6 - HG13 ILE 52 far 0 99 0 - 7.9-8.6 HG3 ARG 81 - HG LEU 64 far 0 32 0 - 8.0-9.3 QD1 LEU 70 - HG LEU 64 far 0 34 0 - 8.3-8.6 QG2 ILE 8 - HG LEU 64 far 0 63 0 - 8.4-8.9 QD2 LEU 57 - HG LEU 38 far 0 84 0 - 8.4-8.9 QG2 ILE 7 - HG LEU 38 far 0 81 0 - 8.4-9.0 QG2 ILE 8 - HG LEU 29 far 0 66 0 - 9.1-9.8 QG1 VAL 78 - HG LEU 64 far 0 39 0 - 9.3-10.4 QD1 LEU 27 - HG3 ARG 91 far 0 55 0 - 9.6-10.4 QD2 LEU 42 - HG LEU 29 far 0 63 0 - 9.7-10.3 QG1 VAL 78 - HG LEU 29 far 0 41 0 - 9.9-10.8 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 10 assignments used, quality = 1.00: * HG12 ILE 52 + HG13 ILE 52 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 91 + HG3 ARG 91 OK 30 30 100 100 1.8-1.8 1.8=100 HG2 LYS 82 - HG LEU 64 far 0 54 0 - 5.9-6.5 QG1 VAL 83 - HG3 ARG 91 far 0 36 0 - 6.1-7.7 HB3 LEU 55 - HG LEU 29 far 0 62 0 - 6.2-8.8 HB3 ARG 81 - HG LEU 64 far 0 58 0 - 7.6-8.2 HB3 ARG 81 - HG3 ARG 91 far 0 51 0 - 8.6-11.0 QG1 VAL 83 - HG LEU 64 far 0 42 0 - 8.6-9.1 HB3 LEU 55 - HG13 ILE 52 far 0 97 0 - 9.4-10.8 QG1 VAL 83 - HG LEU 29 far 0 43 0 - 9.8-10.5 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): 3 out of 37 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 65 86 95 80 2.8-3.3 12201=32, 324/2.1=24...(11) QG1 VAL 5 + HG LEU 29 OK 31 42 80 92 2.7-3.8 10192=25, ~8192=24...(15) QD1 ILE 56 - HG LEU 38 far 4 88 5 - 3.1-3.7 QG2 VAL 54 - HG13 ILE 52 far 0 57 0 - 3.6-4.7 QG2 VAL 58 - HG LEU 64 far 0 56 0 - 4.0-4.3 QD1 LEU 42 - HG LEU 38 far 0 92 0 - 4.1-4.4 QD2 LEU 6 - HG LEU 29 far 0 66 0 - 4.5-5.0 HG13 ILE 56 - HG LEU 38 far 0 81 0 - 4.5-5.2 QG1 VAL 58 - HG LEU 64 far 0 48 0 - 4.7-5.1 QG1 VAL 58 - HG LEU 38 far 0 73 0 - 4.8-5.4 QD2 LEU 6 - HG LEU 38 far 0 91 0 - 5.5-5.9 QG2 VAL 78 - HG LEU 38 far 0 71 0 - 6.1-6.7 QD1 ILE 56 - HG LEU 64 far 0 61 0 - 6.3-6.8 QD2 LEU 27 - HG13 ILE 52 far 0 68 0 - 6.6-8.0 QG2 VAL 78 - HG LEU 64 far 0 47 0 - 6.8-7.8 QD1 ILE 8 - HG LEU 64 far 0 59 0 - 7.0-7.6 QG2 VAL 58 - HG LEU 38 far 0 82 0 - 7.0-7.7 QD2 LEU 14 - HG LEU 29 far 0 62 0 - 7.6-8.3 QG2 VAL 54 - HG LEU 29 far 0 32 0 - 7.6-8.8 QG2 VAL 54 - HG LEU 38 far 0 48 0 - 7.9-8.5 QD2 LEU 27 - HG LEU 29 far 0 38 0 - 8.2-8.6 QG2 VAL 78 - HG13 ILE 52 far 0 82 0 - 8.4-9.9 HG13 ILE 56 - HG LEU 29 far 0 57 0 - 8.5-9.3 QD1 ILE 8 - HG LEU 29 far 0 61 0 - 8.5-9.1 QG1 VAL 5 - HG LEU 38 far 0 63 0 - 8.9-9.4 HG13 ILE 56 - HG LEU 64 far 0 55 0 - 9.0-9.6 QD2 LEU 6 - HG13 ILE 52 far 0 99 0 - 9.0-9.6 QD1 ILE 56 - HG LEU 29 far 0 63 0 - 9.1-9.8 QG1 VAL 5 - HG13 ILE 52 far 0 73 0 - 9.3-10.3 QG1 VAL 5 - HG3 ARG 91 far 0 35 0 - 9.3-10.3 QG1 VAL 58 - HG LEU 29 far 0 50 0 - 9.4-9.9 QD1 ILE 56 - HG13 ILE 52 far 0 98 0 - 9.4-10.4 QD1 LEU 42 - HG LEU 64 far 0 64 0 - 9.5-10.2 QD1 LEU 14 - HG LEU 29 far 0 59 0 - 9.6-10.3 QD1 LEU 42 - HG13 ILE 52 far 0 100 0 - 9.6-10.4 QD1 ILE 52 - HG LEU 29 far 0 68 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 2373 from cnoeabs.peaks (8.47, 1.46, 27.19 ppm; 4.31 A): 3 out of 13 assignments used, quality = 1.00: * H LYS 53 + HG13 ILE 52 OK 100 100 100 100 2.5-3.2 6871/1.8=71, 6868/3.8=70...(15) H ILE 7 + HG LEU 29 OK 61 65 100 93 3.5-3.9 6081=62, 6475/6479=48...(6) H LEU 29 + HG LEU 29 OK 60 60 100 100 4.5-4.6 6472/2.1=76, 6469/3.0=73...(13) H ALA 67 - HG LEU 38 far 0 88 0 - 4.8-5.5 H ALA 67 - HG LEU 64 far 0 61 0 - 4.9-5.3 H VAL 54 - HG13 ILE 52 far 0 88 0 - 5.3-6.8 H THR 31 - HG LEU 29 far 0 46 0 - 5.3-5.9 H VAL 32 - HG LEU 29 far 0 63 0 - 6.8-7.4 H VAL 32 - HG LEU 38 far 0 88 0 - 7.6-7.8 H ILE 7 - HG LEU 38 far 0 90 0 - 8.4-9.0 H ARG 79 - HG13 ILE 52 far 0 73 0 - 9.2-10.4 H ARG 79 - HG LEU 64 far 0 41 0 - 9.9-10.5 H ARG 79 - HG LEU 38 far 0 63 0 - 10.0-10.7 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 4.2-4.6 6864=100, 6861/2377=82...(13) H LYS 47 + QD1 ILE 52 OK 88 90 100 98 4.1-4.7 3.6/9512=59...(11) HE ARG 46 - QD1 ILE 52 far 0 87 0 - 7.4-9.3 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): 2 out of 8 assignments used, quality = 1.00: * HB ILE 52 + QD1 ILE 52 OK 100 100 100 100 2.2-2.5 3.2=100 HB2 LEU 2 + QD1 ILE 52 OK 72 75 100 96 2.9-3.7 3.1/10640=46, 12275=32...(17) HD3 LYS 47 - QD1 ILE 52 far 0 99 0 - 5.6-7.7 HB3 LYS 53 - QD1 ILE 52 far 0 96 0 - 6.1-6.6 HB ILE 76 - QD1 ILE 52 far 0 84 0 - 6.6-7.7 HD2 LYS 47 - QD1 ILE 52 far 0 99 0 - 6.6-7.5 HB3 LEU 6 - QD1 ILE 52 far 0 90 0 - 9.0-10.3 HB3 ARG 79 - QD1 ILE 52 far 0 96 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 2377 from cnoeabs.peaks (0.78, 0.69, 14.38 ppm; 3.04 A): 1 out of 10 assignments used, quality = 1.00: * QG2 ILE 52 + QD1 ILE 52 OK 100 100 100 100 2.0-2.4 3.1=97, 2369/2.1=44...(22) QD2 LEU 2 - QD1 ILE 52 poor 15 77 20 - 2.7-4.8 QG1 VAL 54 - QD1 ILE 52 far 0 95 0 - 4.4-5.7 QD2 LEU 42 - QD1 ILE 52 far 0 98 0 - 4.9-5.8 QD1 ILE 76 - QD1 ILE 52 far 0 90 0 - 5.1-5.8 QG1 VAL 78 - QD1 ILE 52 far 0 71 0 - 5.1-6.2 QD1 LEU 6 - QD1 ILE 52 far 0 99 0 - 5.5-6.7 QD1 LEU 27 - QD1 ILE 52 far 0 99 0 - 7.6-8.4 QG2 ILE 93 - QD1 ILE 52 far 0 81 0 - 9.6-10.5 QD2 LEU 57 - QD1 ILE 52 far 0 95 0 - 9.8-10.9 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 - 8.4-9.6 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 9 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 0 70 0 - 4.9-6.6 HG2 LYS 53 - QD1 ILE 52 far 0 100 0 - 6.1-6.6 HG3 LYS 53 - QD1 ILE 52 far 0 99 0 - 6.1-6.6 HG13 ILE 76 - QD1 ILE 52 far 0 91 0 - 6.3-7.2 HD2 LYS 53 - QD1 ILE 52 far 0 100 0 - 7.9-8.3 HB2 LEU 27 - QD1 ILE 52 far 0 100 0 - 8.7-9.8 QB ALA 22 - QD1 ILE 52 far 0 90 0 - 9.0-10.1 HG LEU 29 - QD1 ILE 52 far 0 90 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 2380 from cnoeabs.peaks (0.69, 0.69, 14.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 52 + QD1 ILE 52 OK 100 100 - 100 Peak 2381 from cnoeabs.peaks (8.47, 0.69, 14.38 ppm; 4.93 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 53 + QD1 ILE 52 OK 100 100 100 100 3.8-4.2 6871/2.1=83...(13) H VAL 54 + QD1 ILE 52 OK 36 88 60 67 4.8-6.1 4.7/6873=35, 2365/2.1=32...(4) H ARG 79 - QD1 ILE 52 far 0 73 0 - 7.9-9.3 H LEU 29 - QD1 ILE 52 far 0 96 0 - 8.9-9.6 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 5 assignments used, quality = 1.00: * HB2 LYS 53 + HA LYS 53 OK 100 100 100 100 2.4-2.4 3.0=100 HB2 GLU 104 - HA LYS 53 far 0 73 0 - 7.9-16.5 HG2 ARG 46 - HA LYS 53 far 0 96 0 - 8.1-11.8 HB3 GLU 104 - HA LYS 53 far 0 79 0 - 8.8-17.9 HB VAL 5 - HA LYS 53 far 0 92 0 - 9.9-10.5 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 4 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 - 5.6-5.7 HB2 LEU 2 - HA LYS 53 far 0 96 0 - 5.9-6.6 HB3 ARG 79 - HA LYS 53 far 0 75 0 - 6.9-8.3 Violated in 0 structures by 0.00 A. Peak 2386 from cnoeabs.peaks (1.46, 5.04, 55.43 ppm; 3.40 A): 2 out of 5 assignments used, quality = 1.00: * HG2 LYS 53 + HA LYS 53 OK 100 100 100 100 2.5-2.6 3.9=67, 3.0/2389=36...(49) HG3 LYS 53 + HA LYS 53 OK 94 100 95 99 3.4-3.7 3.9=67, 3.0/2389=36...(35) HD2 LYS 53 - HA LYS 53 far 0 100 0 - 4.7-4.9 HG13 ILE 52 - HA LYS 53 far 0 100 0 - 4.7-5.6 HG13 ILE 76 - HA LYS 53 far 0 82 0 - 7.6-9.1 Violated in 0 structures by 0.00 A. Peak 2387 from cnoeabs.peaks (1.47, 5.04, 55.43 ppm; 3.40 A): 2 out of 5 assignments used, quality = 1.00: HG2 LYS 53 + HA LYS 53 OK 100 100 100 100 2.5-2.6 3.9=67, 3.0/2389=36...(49) * HG3 LYS 53 + HA LYS 53 OK 94 100 95 99 3.4-3.7 3.9=67, 3.0/2389=36...(35) HD2 LYS 53 - HA LYS 53 far 0 99 0 - 4.7-4.9 HG13 ILE 52 - HA LYS 53 far 0 99 0 - 4.7-5.6 HG13 ILE 76 - HA LYS 53 far 0 73 0 - 7.6-9.1 Violated in 0 structures by 0.00 A. Peak 2388 from cnoeabs.peaks (1.46, 5.04, 55.43 ppm; 3.40 A): 2 out of 5 assignments used, quality = 1.00: HG2 LYS 53 + HA LYS 53 OK 100 100 100 100 2.5-2.6 3.9=67, 3.0/2389=36...(49) HG3 LYS 53 + HA LYS 53 OK 94 99 95 99 3.4-3.7 3.9=67, 3.0/2389=36...(35) ! HD2 LYS 53 - HA LYS 53 far 0 100 0 - 4.7-4.9 HG13 ILE 52 - HA LYS 53 far 0 100 0 - 4.7-5.6 HG13 ILE 76 - HA LYS 53 far 0 88 0 - 7.6-9.1 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 11 assignments used, quality = 1.00: * HD3 LYS 53 + HA LYS 53 OK 100 100 100 100 3.8-4.5 2451/3.0=85, 1.8/2438=60...(57) HG3 ARG 79 - HA LYS 53 far 0 95 0 - 7.0-9.3 HB2 LEU 3 - HA LYS 53 far 0 100 0 - 7.5-7.8 HG LEU 2 - HA LYS 53 far 0 63 0 - 7.5-9.2 HG12 ILE 56 - HA LYS 53 far 0 91 0 - 7.5-8.1 HG2 ARG 79 - HA LYS 53 far 0 94 0 - 7.6-9.1 HG LEU 103 - HA LYS 53 far 0 77 0 - 8.4-16.1 HG LEU 6 - HA LYS 53 far 0 82 0 - 9.0-9.7 HB2 LEU 103 - HA LYS 53 far 0 71 0 - 9.2-16.4 HB3 LEU 103 - HA LYS 53 far 0 79 0 - 9.3-15.8 HB3 GLU 28 - HA LYS 53 far 0 99 0 - 9.8-10.9 Violated in 2 structures by 0.00 A. Peak 2392 from cnoeabs.peaks (8.49, 5.04, 55.43 ppm; 3.15 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 54 + HA LYS 53 OK 100 100 100 100 2.1-2.4 6886=100, 6887/3.0=41...(20) 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 - 4.8-5.7 H LEU 2 - HA LYS 53 far 0 93 0 - 6.9-7.5 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 3.8-3.9 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...(14) H ARG 79 - HB2 LYS 53 far 7 73 10 - 4.4-5.4 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 2.4-2.4 3.0=100 Violated in 0 structures by 0.00 A. Peak 2395 from cnoeabs.peaks (1.84, 1.84, 36.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 53 + HB2 LYS 53 OK 100 100 - 100 Peak 2396 from cnoeabs.peaks (1.69, 1.84, 36.45 ppm; 2.93 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 53 + HB2 LYS 53 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 79 - HB2 LYS 53 far 0 75 0 - 5.5-7.2 HB2 LEU 2 - HB2 LYS 53 far 0 96 0 - 6.8-7.6 HB ILE 52 - HB2 LYS 53 far 0 96 0 - 7.4-7.6 Violated in 0 structures by 0.00 A. Peak 2397 from cnoeabs.peaks (1.46, 1.84, 36.45 ppm; 3.29 A): 3 out of 6 assignments used, quality = 1.00: * HG2 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.5-2.7 3.0=100 HG3 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.9-3.0 3.0=100 HD2 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.9-3.6 3.6=73, ~2451=45...(53) HG13 ILE 52 - HB2 LYS 53 far 0 100 0 - 6.2-7.1 HG13 ILE 76 - HB2 LYS 53 far 0 82 0 - 9.7-11.3 HB2 LEU 27 - HB2 LYS 53 far 0 100 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 2398 from cnoeabs.peaks (1.47, 1.84, 36.45 ppm; 3.29 A): 3 out of 6 assignments used, quality = 1.00: * HG3 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.9-3.0 3.0=100 HG2 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.5-2.7 3.0=100 HD2 LYS 53 + HB2 LYS 53 OK 99 99 100 100 2.9-3.6 3.6=73, ~2451=45...(53) HG13 ILE 52 - HB2 LYS 53 far 0 99 0 - 6.2-7.1 HG13 ILE 76 - HB2 LYS 53 far 0 73 0 - 9.7-11.3 HB2 LEU 27 - HB2 LYS 53 far 0 99 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 2399 from cnoeabs.peaks (1.46, 1.84, 36.45 ppm; 3.29 A): 3 out of 6 assignments used, quality = 1.00: HG2 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.5-2.7 3.0=100 * HD2 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.9-3.6 3.6=73, ~2451=45...(53) HG3 LYS 53 + HB2 LYS 53 OK 99 99 100 100 2.9-3.0 3.0=100 HG13 ILE 52 - HB2 LYS 53 far 0 100 0 - 6.2-7.1 HG13 ILE 76 - HB2 LYS 53 far 0 88 0 - 9.7-11.3 HB2 LEU 27 - HB2 LYS 53 far 0 100 0 - 9.8-10.7 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 10 assignments used, quality = 1.00: * HD3 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.0-2.5 3.6=100 HG2 ARG 79 - HB2 LYS 53 far 0 94 0 - 6.0-7.3 HG3 ARG 79 - HB2 LYS 53 far 0 95 0 - 6.2-7.7 HB2 LEU 3 - HB2 LYS 53 far 0 100 0 - 6.8-7.1 HG12 ILE 56 - HB2 LYS 53 far 0 91 0 - 7.6-8.7 HG LEU 103 - HB2 LYS 53 far 0 77 0 - 8.1-15.1 HB3 LEU 103 - HB2 LYS 53 far 0 79 0 - 8.1-14.8 HG LEU 2 - HB2 LYS 53 far 0 63 0 - 8.2-10.0 HB2 LEU 103 - HB2 LYS 53 far 0 71 0 - 8.4-15.6 HG LEU 6 - HB2 LYS 53 far 0 82 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 2401 from cnoeabs.peaks (2.83, 1.84, 36.45 ppm; 4.75 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.0-4.5 5.0=84, ~2451=64...(45) HE3 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.0-4.7 5.0=84, ~2451=64...(43) 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 2.0-4.7 5.0=84, ~2451=64...(43) HE2 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.0-4.5 5.0=84, ~2451=64...(45) 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...(14) H LYS 53 + HB2 LYS 53 OK 88 88 100 100 3.8-3.9 3.9=100 H ARG 79 - HB2 LYS 53 far 0 99 0 - 4.4-5.4 H LEU 2 - HB2 LYS 53 far 0 93 0 - 7.1-7.9 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 2.8-3.0 3.9=100 H VAL 54 + HB3 LYS 53 OK 88 88 100 100 3.5-4.2 4.4=91, 6887/1.8=74...(15) H ARG 79 - HB3 LYS 53 far 0 73 0 - 5.7-6.6 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 4 assignments used, quality = 1.00: * HB2 LYS 53 + HB3 LYS 53 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 104 - HB3 LYS 53 far 0 73 0 - 7.8-15.6 HB VAL 5 - HB3 LYS 53 far 0 92 0 - 8.8-9.6 HB3 GLU 104 - HB3 LYS 53 far 0 79 0 - 9.1-16.7 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 2.9-3.0 3.0=100 HG3 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.2-2.4 3.0=100 HD2 LYS 53 + HB3 LYS 53 OK 30 100 30 100 2.6-3.8 3.6=74, 1.8/2451=73...(43) HG13 ILE 52 - HB3 LYS 53 far 0 100 0 - 5.3-6.1 HB2 LEU 27 - HB3 LYS 53 far 0 100 0 - 8.4-9.4 QB ALA 22 - HB3 LYS 53 far 0 81 0 - 9.5-10.4 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 2.2-2.4 3.0=100 HG2 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.9-3.0 3.0=100 HD2 LYS 53 + HB3 LYS 53 OK 30 99 30 100 2.6-3.8 3.6=74, 1.8/2451=73...(43) HG13 ILE 52 - HB3 LYS 53 far 0 99 0 - 5.3-6.1 HB2 LEU 27 - HB3 LYS 53 far 0 99 0 - 8.4-9.4 QB ALA 22 - HB3 LYS 53 far 0 71 0 - 9.5-10.4 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: HG2 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.9-3.0 3.0=100 HG3 LYS 53 + HB3 LYS 53 OK 99 99 100 100 2.2-2.4 3.0=100 * HD2 LYS 53 + HB3 LYS 53 OK 30 100 30 100 2.6-3.8 3.6=74, 1.8/2451=73...(43) HG13 ILE 52 - HB3 LYS 53 far 0 100 0 - 5.3-6.1 HB2 LEU 27 - HB3 LYS 53 far 0 100 0 - 8.4-9.4 QB ALA 22 - HB3 LYS 53 far 0 87 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 2411 from cnoeabs.peaks (1.55, 1.69, 36.45 ppm; 4.23 A): 1 out of 11 assignments used, quality = 1.00: * HD3 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.7-3.2 3.6=100 HB2 LEU 3 - HB3 LYS 53 far 0 100 0 - 5.1-5.4 HG LEU 2 - HB3 LYS 53 far 0 63 0 - 7.1-8.7 HG2 ARG 79 - HB3 LYS 53 far 0 94 0 - 7.2-8.5 HG3 ARG 79 - HB3 LYS 53 far 0 95 0 - 7.3-9.1 HG12 ILE 56 - HB3 LYS 53 far 0 91 0 - 8.6-9.3 HB3 GLU 28 - HB3 LYS 53 far 0 99 0 - 8.9-10.1 HB3 LEU 103 - HB3 LYS 53 far 0 79 0 - 9.0-14.5 HB2 LEU 103 - HB3 LYS 53 far 0 71 0 - 9.1-14.5 HG LEU 103 - HB3 LYS 53 far 0 77 0 - 9.1-15.2 HG LEU 6 - HB3 LYS 53 far 0 82 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 2412 from cnoeabs.peaks (2.83, 1.69, 36.45 ppm; 4.72 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 53 + HB3 LYS 53 OK 100 100 100 100 3.6-5.0 3.0/2451=90, 5.0=82...(43) HE3 LYS 53 + HB3 LYS 53 OK 100 100 100 100 3.6-5.0 3.0/2451=90, 5.0=82...(43) 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 3.6-5.0 3.0/2451=90, 5.0=82...(43) HE2 LYS 53 + HB3 LYS 53 OK 100 100 100 100 3.6-5.0 3.0/2451=90, 5.0=82...(43) 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 3.5-4.2 6887/1.8=86, 4.4=83...(15) H LYS 53 + HB3 LYS 53 OK 88 88 100 100 2.8-3.0 3.9=100 H LEU 2 - HB3 LYS 53 far 0 93 0 - 5.7-6.7 H ARG 79 - HB3 LYS 53 far 0 99 0 - 5.7-6.6 Violated in 0 structures by 0.00 A. Peak 2415 from cnoeabs.peaks (8.47, 1.46, 25.00 ppm; 4.39 A): 2 out of 8 assignments used, quality = 1.00: * H LYS 53 + HG2 LYS 53 OK 100 100 100 100 3.1-3.8 5.0=66, 6869/3.0=64...(23) H LYS 53 + HG3 LYS 53 OK 100 100 100 100 2.9-3.2 5.0=66, 6869/3.0=64...(25) H VAL 54 - HG2 LYS 53 poor 18 88 20 - 4.3-4.8 H VAL 54 - HG3 LYS 53 far 0 87 0 - 5.1-5.6 H ARG 79 - HG2 LYS 53 far 0 73 0 - 6.7-7.6 H ARG 79 - HG3 LYS 53 far 0 72 0 - 7.4-8.2 H ALA 67 - HG2 LYS 73 far 0 56 0 - 8.9-9.8 H VAL 32 - HG2 LYS 12 far 0 82 0 - 9.6-10.8 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 2.5-2.6 3.9=100 HA LYS 53 + HG3 LYS 53 OK 100 100 100 100 3.4-3.7 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 20 assignments used, quality = 1.00: * HB2 LYS 53 + HG2 LYS 53 OK 100 100 100 100 2.5-2.7 3.0=98, ~2451=22...(40) HB2 LYS 53 + HG3 LYS 53 OK 100 100 100 100 2.9-3.0 3.0=98, ~2451=22...(40) HB2 LYS 12 + HG2 LYS 12 OK 71 71 100 100 2.4-3.0 3.0=100 HB3 LYS 12 + HG2 LYS 12 OK 68 68 100 100 2.6-3.0 3.0=100 HG2 ARG 46 - HG2 LYS 47 far 0 56 0 - 4.8-8.2 HB3 LYS 39 - HG2 LYS 73 far 0 49 0 - 6.4-10.0 HB3 LYS 90 - HG2 LYS 20 far 0 96 0 - 6.6-10.3 HB2 GLU 104 - HG2 LYS 53 far 0 73 0 - 6.7-15.1 HB2 GLU 104 - HG3 LYS 53 far 0 72 0 - 7.2-14.9 HB ILE 93 - HG2 LYS 20 far 0 57 0 - 7.6-11.1 HB2 LYS 90 - HG2 LYS 20 far 0 74 0 - 7.7-11.5 HB3 GLU 104 - HG2 LYS 53 far 0 79 0 - 7.7-16.5 HB2 LEU 42 - HG2 LYS 73 far 0 35 0 - 8.3-9.9 HB2 LYS 68 - HG2 LYS 73 far 0 60 0 - 8.3-9.6 HB3 GLU 104 - HG3 LYS 53 far 0 78 0 - 8.5-15.9 HB2 LEU 42 - HG2 LYS 47 far 0 36 0 - 8.6-10.3 HB3 LYS 66 - HG2 LYS 73 far 0 50 0 - 9.1-9.8 HB3 LYS 68 - HG2 LYS 73 far 0 39 0 - 9.3-10.4 HB2 LYS 12 - HG2 LYS 20 far 0 83 0 - 9.4-10.5 HG2 ARG 46 - HG2 LYS 53 far 0 96 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 2418 from cnoeabs.peaks (1.69, 1.46, 25.00 ppm; 2.42 A): 10 out of 42 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 + HG3 LYS 53 OK 93 100 100 94 2.2-2.4 3.0=54, 2451/3.0=28...(28) HD3 LYS 47 + HG2 LYS 47 OK 57 62 100 91 2.3-2.6 3.0=54, ~2195=8...(62) HD3 LYS 12 + HG2 LYS 12 OK 41 80 55 93 2.3-3.0 3.0=53, 3.0/463=21...(42) HD2 LYS 12 + HG2 LYS 12 OK 41 80 55 92 2.3-3.0 3.0=53, 3.0/463=21...(42) HD3 LYS 20 + HG2 LYS 20 OK 40 95 50 85 2.4-2.9 2.8=61, 5.3/848=9...(37) HD2 LYS 47 + HG2 LYS 47 OK 31 62 55 92 2.3-3.0 3.0=54, 2195/1.8=17...(70) HD2 LYS 73 + HG2 LYS 73 OK 30 52 65 88 2.3-3.0 3.0=55, 3298/1.8=17...(56) HD2 LYS 20 + HG2 LYS 20 OK 29 96 35 87 2.2-3.0 2.8=61, 1.8/1729=10...(44) HD3 LYS 73 + HG2 LYS 73 OK 24 50 55 88 2.4-3.0 3.0=55, 3298/1.8=18...(52) ! HB3 LYS 53 - HG2 LYS 53 far 0 100 0 - 2.9-3.0 HB3 LEU 70 - HG2 LYS 73 far 0 39 0 - 4.4-5.5 HG LEU 70 - HG2 LYS 73 far 0 56 0 - 4.5-5.1 HD2 LYS 39 - HG2 LYS 73 far 0 38 0 - 4.8-9.7 HB2 LEU 2 - HG3 LYS 53 far 0 95 0 - 4.9-5.7 HD3 LYS 24 - HG2 LYS 20 far 0 95 0 - 5.3-10.4 HG12 ILE 15 - HG2 LYS 12 far 0 85 0 - 5.7-6.4 HB2 LEU 2 - HG2 LYS 53 far 0 96 0 - 5.7-6.5 HB ILE 52 - HG2 LYS 53 far 0 96 0 - 5.7-6.2 HB ILE 52 - HG3 LYS 53 far 0 95 0 - 5.7-6.4 HD2 LYS 24 - HG2 LYS 20 far 0 95 0 - 5.9-9.0 HD3 LYS 90 - HG2 LYS 20 far 0 95 0 - 6.0-10.5 HD3 LYS 66 - HG2 LYS 73 far 0 53 0 - 6.7-8.4 HD3 LYS 33 - HG2 LYS 12 far 0 45 0 - 7.2-8.9 HD2 LYS 13 - HG2 LYS 12 far 0 80 0 - 7.3-9.6 HD3 LYS 13 - HG2 LYS 12 far 0 78 0 - 7.5-9.9 HB ILE 52 - HG2 LYS 47 far 0 57 0 - 7.7-8.9 HD2 LYS 33 - HG2 LYS 12 far 0 45 0 - 7.7-9.9 HB3 ARG 79 - HG2 LYS 53 far 0 75 0 - 8.1-9.3 HD3 LYS 13 - HG2 LYS 20 far 0 90 0 - 8.1-13.0 HB3 ARG 79 - HG3 LYS 53 far 0 74 0 - 8.3-10.0 HD2 LYS 13 - HG2 LYS 20 far 0 92 0 - 8.7-13.4 HD2 LYS 20 - HG2 LYS 12 far 0 85 0 - 8.9-11.4 HD3 LYS 20 - HG2 LYS 12 far 0 83 0 - 9.0-13.0 HD2 LYS 68 - HG2 LYS 73 far 0 36 0 - 9.2-11.6 HG2 PRO 86 - HG2 LYS 20 far 0 96 0 - 9.3-12.5 HD2 LYS 12 - HG2 LYS 20 far 0 92 0 - 9.4-13.7 HD3 LYS 68 - HG2 LYS 73 far 0 35 0 - 9.5-11.1 HB2 LEU 2 - HG2 LYS 47 far 0 56 0 - 9.5-10.9 HG3 LYS 20 - HG2 LYS 12 far 0 83 0 - 9.5-13.8 HD3 LYS 12 - HG2 LYS 20 far 0 92 0 - 9.7-14.1 HG12 ILE 15 - HG2 LYS 20 far 0 96 0 - 9.8-11.9 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; 2.95 A increased from 2.62 A): 2 out of 24 assignments used, quality = 1.00: * HD3 LYS 53 + HG2 LYS 53 OK 99 100 100 99 2.4-3.0 3.0=99 HD3 LYS 53 + HG3 LYS 53 OK 99 100 100 99 2.5-3.0 3.0=99 HG3 LYS 90 - HG2 LYS 20 far 0 68 0 - 4.9-8.6 HG LEU 2 - HG3 LYS 53 far 0 62 0 - 5.6-7.5 HB2 LEU 3 - HG3 LYS 53 far 0 100 0 - 5.6-6.5 HG2 ARG 19 - HG2 LYS 20 far 0 66 0 - 5.8-7.8 HG LEU 2 - HG2 LYS 53 far 0 63 0 - 6.3-8.6 HG2 LYS 24 - HG2 LYS 20 far 0 64 0 - 6.4-10.3 HG LEU 103 - HG2 LYS 53 far 0 77 0 - 6.7-13.9 HG2 ARG 19 - HG2 LYS 12 far 0 56 0 - 6.7-10.8 HB2 LEU 103 - HG2 LYS 53 far 0 71 0 - 7.0-14.3 HB2 LEU 3 - HG2 LYS 53 far 0 100 0 - 7.1-7.9 HB3 LEU 103 - HG2 LYS 53 far 0 79 0 - 7.1-13.6 HB2 LEU 103 - HG3 LYS 53 far 0 70 0 - 7.4-13.5 HB3 LEU 103 - HG3 LYS 53 far 0 78 0 - 7.6-13.5 HG LEU 103 - HG3 LYS 53 far 0 76 0 - 7.7-13.9 HG2 ARG 79 - HG2 LYS 53 far 0 94 0 - 8.2-9.6 HG3 ARG 79 - HG2 LYS 53 far 0 95 0 - 8.5-10.1 HG2 ARG 79 - HG3 LYS 53 far 0 93 0 - 8.5-10.0 HB2 LEU 14 - HG2 LYS 12 far 0 61 0 - 8.6-9.2 HG2 LYS 33 - HG2 LYS 12 far 0 86 0 - 9.2-10.6 HG3 ARG 79 - HG3 LYS 53 far 0 94 0 - 9.2-10.5 HB ILE 7 - HG2 LYS 20 far 0 72 0 - 9.4-12.2 HG12 ILE 56 - HG2 LYS 53 far 0 91 0 - 9.8-10.6 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 99 100 100 99 2.1-3.7 3.9=70, 3.0/2422=32...(37) HE3 LYS 53 + HG2 LYS 53 OK 99 100 100 99 2.2-3.6 3.9=70, 3.0/2422=32...(35) HE3 LYS 53 + HG3 LYS 53 OK 84 100 85 99 2.8-4.1 3.9=70, 3.0/2422=32...(40) HE2 LYS 53 + HG3 LYS 53 OK 40 100 40 100 2.7-4.2 3.9=70, 3.0/2422=32...(42) HE2 LYS 90 - HG2 LYS 20 far 0 88 0 - 5.8-10.1 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: HE2 LYS 53 + HG2 LYS 53 OK 99 100 100 99 2.1-3.7 3.9=70, 3.0/2422=32...(37) * HE3 LYS 53 + HG2 LYS 53 OK 99 100 100 99 2.2-3.6 3.9=70, 3.0/2422=32...(35) HE3 LYS 53 + HG3 LYS 53 OK 84 100 85 99 2.8-4.1 3.9=70, 3.0/2422=32...(40) HE2 LYS 53 + HG3 LYS 53 OK 40 100 40 100 2.7-4.2 3.9=70, 3.0/2422=32...(42) HE2 LYS 39 - HG2 LYS 73 far 0 30 0 - 4.8-8.5 HE2 LYS 90 - HG2 LYS 20 far 0 84 0 - 5.8-10.1 Violated in 0 structures by 0.00 A. Peak 2425 from cnoeabs.peaks (8.49, 1.46, 25.00 ppm; 4.21 A): 2 out of 10 assignments used, quality = 0.98: H LYS 53 + HG2 LYS 53 OK 88 88 100 100 3.1-3.8 5.0=58, 6869/3.0=51...(23) H LYS 53 + HG3 LYS 53 OK 87 87 100 100 2.9-3.2 5.0=58, 6869/3.0=51...(24) H LEU 2 - HG3 LYS 53 poor 18 92 20 - 4.3-5.2 ! H VAL 54 - HG2 LYS 53 far 15 100 15 - 4.3-4.8 H VAL 54 - HG3 LYS 53 far 0 100 0 - 5.1-5.6 H LEU 2 - HG2 LYS 53 far 0 93 0 - 5.4-6.3 H ARG 79 - HG2 LYS 53 far 0 99 0 - 6.7-7.6 H ARG 79 - HG3 LYS 53 far 0 98 0 - 7.4-8.2 H ALA 67 - HG2 LYS 73 far 0 57 0 - 8.9-9.8 H VAL 32 - HG2 LYS 12 far 0 84 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 2426 from cnoeabs.peaks (8.47, 1.47, 25.00 ppm; 4.43 A): 3 out of 8 assignments used, quality = 1.00: * H LYS 53 + HG3 LYS 53 OK 100 100 100 100 2.9-3.2 5.0=67, 6869/3.0=65...(25) H LYS 53 + HG2 LYS 53 OK 100 100 100 100 3.1-3.8 5.0=67, 6869/3.0=65...(23) H VAL 54 + HG2 LYS 53 OK 43 87 50 99 4.3-4.8 6887/3.0=64, 6886/3.9=61...(15) H VAL 54 - HG3 LYS 53 far 0 88 0 - 5.1-5.6 H ARG 79 - HG2 LYS 53 far 0 72 0 - 6.7-7.6 H ARG 79 - HG3 LYS 53 far 0 73 0 - 7.4-8.2 H ALA 67 - HG2 LYS 73 far 0 68 0 - 8.9-9.8 H VAL 32 - HG2 LYS 12 far 0 71 0 - 9.6-10.8 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 3.4-3.7 3.9=100 HA LYS 53 + HG2 LYS 53 OK 100 100 100 100 2.5-2.6 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 22 assignments used, quality = 1.00: * HB2 LYS 53 + HG3 LYS 53 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 LYS 53 + HG2 LYS 53 OK 100 100 100 100 2.5-2.7 3.0=100 HB2 LYS 12 + HG2 LYS 12 OK 61 61 100 100 2.4-3.0 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 far 0 45 0 - 3.8-4.5 HB2 LYS 12 - HG3 LYS 13 far 0 47 0 - 4.4-5.2 HG2 ARG 46 - HG2 LYS 47 far 0 68 0 - 4.8-8.2 HB3 LYS 39 - HG2 LYS 73 far 0 61 0 - 6.4-10.0 HB3 LYS 90 - HG2 LYS 20 far 0 92 0 - 6.6-10.3 HB2 GLU 104 - HG2 LYS 53 far 0 72 0 - 6.7-15.1 HB2 GLU 104 - HG3 LYS 53 far 0 73 0 - 7.2-14.9 HB ILE 93 - HG2 LYS 20 far 0 53 0 - 7.6-11.1 HB2 LYS 90 - HG2 LYS 20 far 0 69 0 - 7.7-11.5 HB3 GLU 104 - HG2 LYS 53 far 0 78 0 - 7.7-16.5 HB2 LEU 42 - HG2 LYS 73 far 0 44 0 - 8.3-9.9 HB2 LYS 68 - HG2 LYS 73 far 0 73 0 - 8.3-9.6 HB3 GLU 104 - HG3 LYS 53 far 0 79 0 - 8.5-15.9 HB2 LEU 42 - HG2 LYS 47 far 0 45 0 - 8.6-10.3 HB3 LYS 66 - HG2 LYS 73 far 0 62 0 - 9.1-9.8 HB3 LYS 68 - HG2 LYS 73 far 0 49 0 - 9.3-10.4 HB2 LYS 12 - HG2 LYS 20 far 0 78 0 - 9.4-10.5 HG2 ARG 46 - HG2 LYS 53 far 0 95 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 2429 from cnoeabs.peaks (1.69, 1.47, 25.00 ppm; 2.40 A): 12 out of 50 assignments used, quality = 1.00: * HB3 LYS 53 + HG3 LYS 53 OK 93 100 100 93 2.2-2.4 3.0=53, 2451/3.0=27...(28) HG3 LYS 20 + HG2 LYS 20 OK 90 90 100 100 1.8-1.8 1.8=100 HD3 LYS 47 + HG2 LYS 47 OK 68 75 100 91 2.3-2.6 3.0=53, ~2195=8...(55) HD3 LYS 20 + HG2 LYS 20 OK 38 90 50 83 2.4-2.9 2.8=60, 5.3/848=9...(34) HD2 LYS 47 + HG2 LYS 47 OK 38 75 55 91 2.3-3.0 3.0=53, 2195/1.8=17...(65) HD2 LYS 73 + HG2 LYS 73 OK 36 64 65 88 2.3-3.0 3.0=54, 3298/1.8=17...(54) HD3 LYS 12 + HG2 LYS 12 OK 35 69 55 92 2.3-3.0 3.0=52, 3.0/463=19...(42) HD2 LYS 12 + HG2 LYS 12 OK 35 69 55 91 2.3-3.0 3.0=52, 3.0/463=19...(42) HD3 LYS 13 + HG3 LYS 13 OK 31 53 70 84 2.3-3.0 3.0=54, 487/3.9=7...(38) HD3 LYS 73 + HG2 LYS 73 OK 30 62 55 87 2.4-3.0 3.0=54, 3298/1.8=18...(50) HD2 LYS 13 + HG3 LYS 13 OK 29 54 65 83 2.3-3.0 3.0=54, 1.8/555=7...(34) HD2 LYS 20 + HG2 LYS 20 OK 28 92 35 86 2.2-3.0 2.8=60, 5.3/848=9...(40) HB3 LYS 53 - HG2 LYS 53 far 0 100 0 - 2.9-3.0 HB3 LEU 70 - HG2 LYS 73 far 0 49 0 - 4.4-5.5 HG LEU 70 - HG2 LYS 73 far 0 68 0 - 4.5-5.1 HD2 LYS 39 - HG2 LYS 73 far 0 48 0 - 4.8-9.7 HB2 LEU 2 - HG3 LYS 53 far 0 96 0 - 4.9-5.7 HD3 LYS 24 - HG2 LYS 20 far 0 90 0 - 5.3-10.4 HG12 ILE 15 - HG2 LYS 12 far 0 74 0 - 5.7-6.4 HB2 LEU 2 - HG2 LYS 53 far 0 95 0 - 5.7-6.5 HB ILE 52 - HG2 LYS 53 far 0 95 0 - 5.7-6.2 HB ILE 52 - HG3 LYS 53 far 0 96 0 - 5.7-6.4 HD3 LYS 12 - HG3 LYS 13 far 0 54 0 - 5.8-7.4 HD2 LYS 24 - HG2 LYS 20 far 0 91 0 - 5.9-9.0 HD3 LYS 90 - HG2 LYS 20 far 0 90 0 - 6.0-10.5 HD2 LYS 12 - HG3 LYS 13 far 0 54 0 - 6.5-8.1 HD3 LYS 66 - HG2 LYS 73 far 0 66 0 - 6.7-8.4 HG2 PRO 86 - HG3 LYS 13 far 0 59 0 - 6.9-8.6 HD3 LYS 33 - HG2 LYS 12 far 0 38 0 - 7.2-8.9 HD2 LYS 13 - HG2 LYS 12 far 0 69 0 - 7.3-9.6 HD3 LYS 13 - HG2 LYS 12 far 0 67 0 - 7.5-9.9 HB ILE 52 - HG2 LYS 47 far 0 69 0 - 7.7-8.9 HD2 LYS 33 - HG2 LYS 12 far 0 38 0 - 7.7-9.9 HB3 ARG 79 - HG2 LYS 53 far 0 74 0 - 8.1-9.3 HG12 ILE 15 - HG3 LYS 13 far 0 58 0 - 8.1-9.8 HD3 LYS 13 - HG2 LYS 20 far 0 86 0 - 8.1-13.0 HB3 ARG 79 - HG3 LYS 53 far 0 75 0 - 8.3-10.0 HD2 LYS 20 - HG3 LYS 13 far 0 58 0 - 8.6-10.1 HD3 LYS 20 - HG3 LYS 13 far 0 57 0 - 8.7-11.5 HD2 LYS 13 - HG2 LYS 20 far 0 87 0 - 8.7-13.4 HD2 LYS 20 - HG2 LYS 12 far 0 74 0 - 8.9-11.4 HD3 LYS 20 - HG2 LYS 12 far 0 72 0 - 9.0-13.0 HD2 LYS 68 - HG2 LYS 73 far 0 45 0 - 9.2-11.6 HG2 PRO 86 - HG2 LYS 20 far 0 92 0 - 9.3-12.5 HD2 LYS 12 - HG2 LYS 20 far 0 87 0 - 9.4-13.7 HD3 LYS 68 - HG2 LYS 73 far 0 44 0 - 9.5-11.1 HB2 LEU 2 - HG2 LYS 47 far 0 68 0 - 9.5-10.9 HG3 LYS 20 - HG2 LYS 12 far 0 72 0 - 9.5-13.8 HD3 LYS 12 - HG2 LYS 20 far 0 87 0 - 9.7-14.1 HG12 ILE 15 - HG2 LYS 20 far 0 92 0 - 9.8-11.9 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; 3.00 A increased from 2.40 A): 2 out of 26 assignments used, quality = 1.00: * HD3 LYS 53 + HG3 LYS 53 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 53 + HG2 LYS 53 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 90 - HG2 LYS 20 far 0 64 0 - 4.9-8.6 HG LEU 2 - HG3 LYS 53 far 0 63 0 - 5.6-7.5 HB2 LEU 3 - HG3 LYS 53 far 0 100 0 - 5.6-6.5 HG2 ARG 19 - HG2 LYS 20 far 0 62 0 - 5.8-7.8 HG LEU 2 - HG2 LYS 53 far 0 62 0 - 6.3-8.6 HG2 LYS 24 - HG2 LYS 20 far 0 60 0 - 6.4-10.3 HB2 LEU 14 - HG3 LYS 13 far 0 39 0 - 6.4-7.0 HG LEU 103 - HG2 LYS 53 far 0 76 0 - 6.7-13.9 HG2 ARG 19 - HG2 LYS 12 far 0 47 0 - 6.7-10.8 HB2 LEU 103 - HG2 LYS 53 far 0 70 0 - 7.0-14.3 HB2 LEU 3 - HG2 LYS 53 far 0 100 0 - 7.1-7.9 HB3 LEU 103 - HG2 LYS 53 far 0 78 0 - 7.1-13.6 HB2 LEU 103 - HG3 LYS 53 far 0 71 0 - 7.4-13.5 HB3 LEU 103 - HG3 LYS 53 far 0 79 0 - 7.6-13.5 HG LEU 103 - HG3 LYS 53 far 0 77 0 - 7.7-13.9 HG2 ARG 79 - HG2 LYS 53 far 0 93 0 - 8.2-9.6 HG3 ARG 79 - HG2 LYS 53 far 0 94 0 - 8.5-10.1 HG2 ARG 79 - HG3 LYS 53 far 0 94 0 - 8.5-10.0 HB2 LEU 14 - HG2 LYS 12 far 0 51 0 - 8.6-9.2 HG2 LYS 33 - HG2 LYS 12 far 0 75 0 - 9.2-10.6 HG3 ARG 79 - HG3 LYS 53 far 0 95 0 - 9.2-10.5 HB ILE 7 - HG2 LYS 20 far 0 67 0 - 9.4-12.2 HG2 ARG 19 - HG3 LYS 13 far 0 36 0 - 9.7-13.3 HG12 ILE 56 - HG2 LYS 53 far 0 89 0 - 9.8-10.6 Violated in 0 structures by 0.00 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 + HG2 LYS 53 OK 99 100 100 99 2.1-3.7 3.9=72, 3.0/2422=32...(37) HE3 LYS 53 + HG2 LYS 53 OK 99 100 100 99 2.2-3.6 3.9=72, 3.0/2422=32...(35) HE3 LYS 53 + HG3 LYS 53 OK 84 100 85 99 2.8-4.1 3.9=72, 3.0/2422=32...(40) * HE2 LYS 53 + HG3 LYS 53 OK 40 100 40 100 2.7-4.2 3.9=72, 3.0/2422=32...(42) HE2 LYS 90 - HG2 LYS 20 far 0 83 0 - 5.8-10.1 HE2 LYS 90 - HG3 LYS 13 far 0 51 0 - 10.0-12.7 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: HE2 LYS 53 + HG2 LYS 53 OK 99 100 100 99 2.1-3.7 3.9=72, 3.0/2422=32...(37) HE3 LYS 53 + HG2 LYS 53 OK 99 100 100 99 2.2-3.6 3.9=72, 3.0/2422=32...(35) * HE3 LYS 53 + HG3 LYS 53 OK 84 100 85 99 2.8-4.1 3.9=72, 3.0/2422=32...(40) HE2 LYS 53 + HG3 LYS 53 OK 40 100 40 100 2.7-4.2 3.9=72, 3.0/2422=32...(42) HE2 LYS 39 - HG2 LYS 73 far 0 38 0 - 4.8-8.5 HE2 LYS 90 - HG2 LYS 20 far 0 80 0 - 5.8-10.1 HE2 LYS 90 - HG3 LYS 13 far 0 48 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 2436 from cnoeabs.peaks (8.49, 1.47, 25.00 ppm; 4.20 A): 2 out of 10 assignments used, quality = 0.98: H LYS 53 + HG3 LYS 53 OK 88 88 100 100 2.9-3.2 5.0=58, 6869/3.0=50...(24) H LYS 53 + HG2 LYS 53 OK 87 87 100 100 3.1-3.8 5.0=58, 6869/3.0=50...(23) H LEU 2 - HG3 LYS 53 poor 19 93 20 - 4.3-5.2 H VAL 54 - HG2 LYS 53 far 15 100 15 - 4.3-4.8 ! H VAL 54 - HG3 LYS 53 far 0 100 0 - 5.1-5.6 H LEU 2 - HG2 LYS 53 far 0 92 0 - 5.4-6.3 H ARG 79 - HG2 LYS 53 far 0 98 0 - 6.7-7.6 H ARG 79 - HG3 LYS 53 far 0 99 0 - 7.4-8.2 H ALA 67 - HG2 LYS 73 far 0 70 0 - 8.9-9.8 H VAL 32 - HG2 LYS 12 far 0 73 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 2437 from cnoeabs.peaks (8.47, 1.46, 29.44 ppm; 5.58 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 53 + HD2 LYS 53 OK 100 100 100 100 4.9-5.4 5.9=86, 3.0/2438=77...(21) H VAL 54 - HD2 LYS 53 far 4 88 5 - 5.8-6.8 H ARG 79 - HD2 LYS 53 far 0 73 0 - 7.2-8.7 Violated in 0 structures by 0.00 A. Peak 2438 from cnoeabs.peaks (5.04, 1.46, 29.44 ppm; 5.18 A increased from 4.88 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 53 + HD2 LYS 53 OK 100 100 100 100 4.7-4.9 2389/1.8=94, 5.3=93...(52) Violated in 0 structures by 0.00 A. Peak 2439 from cnoeabs.peaks (1.84, 1.46, 29.44 ppm; 3.98 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LYS 53 + HD2 LYS 53 OK 100 100 100 100 2.9-3.6 3.6=100 HB2 LYS 90 - HB2 ARG 91 poor 17 39 60 72 4.1-4.3 4.1/7445=55, ~9956=22...(4) HB3 LYS 90 - HB2 ARG 91 far 0 57 0 - 5.0-5.4 HB2 GLU 104 - HD2 LYS 53 far 0 73 0 - 5.2-13.8 HB2 GLU 88 - HB2 ARG 91 far 0 36 0 - 6.5-7.1 HB3 GLU 104 - HD2 LYS 53 far 0 79 0 - 6.7-15.0 HB ILE 93 - HB2 ARG 91 far 0 29 0 - 7.3-7.6 Violated in 0 structures by 0.00 A. Peak 2440 from cnoeabs.peaks (1.69, 1.46, 29.44 ppm; 2.95 A): 1 out of 7 assignments used, quality = 0.58: HB3 ARG 91 + HB2 ARG 91 OK 58 58 100 100 1.8-1.8 1.8=100 ! HB3 LYS 53 - HD2 LYS 53 poor 20 100 20 99 2.6-3.8 2451/1.8=60, 3.6=53...(42) HD3 LYS 90 - HB2 ARG 91 far 0 55 0 - 6.1-7.4 HB2 LEU 2 - HD2 LYS 53 far 0 96 0 - 7.1-7.9 HB3 ARG 79 - HD2 LYS 53 far 0 75 0 - 7.8-9.6 HB ILE 52 - HD2 LYS 53 far 0 96 0 - 7.9-8.5 HG2 PRO 86 - HB2 ARG 91 far 0 57 0 - 9.4-11.2 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 9 assignments used, quality = 1.00: * HD3 LYS 53 + HD2 LYS 53 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 103 - HD2 LYS 53 far 0 71 0 - 5.4-12.9 HG LEU 103 - HD2 LYS 53 far 0 77 0 - 5.9-11.7 HB3 LEU 103 - HD2 LYS 53 far 0 79 0 - 6.0-12.4 HB2 LEU 3 - HD2 LYS 53 far 0 100 0 - 6.3-8.0 HG3 LYS 90 - HB2 ARG 91 far 0 36 0 - 7.0-7.2 HG LEU 2 - HD2 LYS 53 far 0 63 0 - 7.2-9.3 HG2 ARG 79 - HD2 LYS 53 far 0 94 0 - 7.3-9.4 HG3 ARG 79 - HD2 LYS 53 far 0 95 0 - 7.9-10.0 Violated in 0 structures by 0.00 A. Peak 2445 from cnoeabs.peaks (2.83, 1.46, 29.44 ppm; 3.45 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 53 + HD2 LYS 53 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 53 + HD2 LYS 53 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 90 - HB2 ARG 91 far 0 49 0 - 6.6-8.4 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 2.3-3.0 3.0=100 HE2 LYS 53 + HD2 LYS 53 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 90 - HB2 ARG 91 far 0 47 0 - 6.6-8.4 Violated in 0 structures by 0.00 A. Peak 2447 from cnoeabs.peaks (8.49, 1.46, 29.44 ppm; 5.38 A increased from 5.06 A): 1 out of 4 assignments used, quality = 0.88: H LYS 53 + HD2 LYS 53 OK 88 88 100 100 4.9-5.4 5.9=77, 3.0/2438=73...(21) H LEU 2 - HD2 LYS 53 far 5 93 5 - 5.6-7.0 ! H VAL 54 - HD2 LYS 53 far 0 100 0 - 5.8-6.8 H ARG 79 - HD2 LYS 53 far 0 99 0 - 7.2-8.7 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 5.1-5.4 3.9/2451=92, 5.9=89...(18) H VAL 54 + HD3 LYS 53 OK 53 88 60 100 4.5-6.1 4.4/2451=87, 3.6/2389=82...(10) H ARG 79 - HD3 LYS 53 far 7 73 10 - 5.5-7.4 Violated in 0 structures by 0.00 A. Peak 2449 from cnoeabs.peaks (5.04, 1.55, 29.44 ppm; 5.30 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 53 + HD3 LYS 53 OK 100 100 100 100 3.8-4.5 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 2.0-2.5 3.6=100 HB2 GLU 104 - HD3 LYS 53 far 0 73 0 - 4.7-15.4 HB3 GLU 104 - HD3 LYS 53 far 0 79 0 - 6.1-16.7 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 2.7-3.2 3.6=67, 3.0/2389=31...(43) HB3 ARG 79 - HD3 LYS 53 far 0 75 0 - 6.1-8.2 HB2 LEU 2 - HD3 LYS 53 far 0 96 0 - 7.4-8.4 HB ILE 52 - HD3 LYS 53 far 0 96 0 - 8.4-8.7 Violated in 1 structures by 0.00 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 HG3 LYS 53 + HD3 LYS 53 OK 66 100 70 95 2.5-3.0 3.0=56, 3.0/2451=28...(48) * HG2 LYS 53 + HD3 LYS 53 OK 23 100 25 94 2.4-3.0 3.0=56, 3.0/2451=28...(41) HG13 ILE 52 - HD3 LYS 53 far 0 100 0 - 7.6-8.3 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 67 100 70 95 2.5-3.0 3.0=56, 3.0/2451=28...(48) HG2 LYS 53 + HD3 LYS 53 OK 23 100 25 94 2.4-3.0 3.0=56, 3.0/2451=28...(41) HG13 ILE 52 - HD3 LYS 53 far 0 99 0 - 7.6-8.3 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 HG3 LYS 53 + HD3 LYS 53 OK 66 99 70 95 2.5-3.0 3.0=56, 3.0/2451=28...(48) HG2 LYS 53 + HD3 LYS 53 OK 23 100 25 94 2.4-3.0 3.0=56, 3.0/2451=28...(41) HG13 ILE 52 - HD3 LYS 53 far 0 100 0 - 7.6-8.3 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 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2457 from cnoeabs.peaks (2.83, 1.55, 29.44 ppm; 3.56 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 53 + HD3 LYS 53 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 53 + HD3 LYS 53 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2458 from cnoeabs.peaks (8.49, 1.55, 29.44 ppm; 5.38 A): 2 out of 4 assignments used, quality = 0.91: H LYS 53 + HD3 LYS 53 OK 88 88 100 100 5.1-5.4 3.9/2451=89, 3.0/2389=84...(18) * H VAL 54 + HD3 LYS 53 OK 25 100 25 100 4.5-6.1 6887/3.6=86...(10) H ARG 79 - HD3 LYS 53 far 5 99 5 - 5.5-7.4 H LEU 2 - HD3 LYS 53 far 0 93 0 - 6.5-7.8 Violated in 0 structures by 0.00 A. Peak 2459 from cnoeabs.peaks (8.47, 2.83, 41.80 ppm; 6.41 A increased from 5.70 A): 4 out of 6 assignments used, quality = 1.00: H LYS 53 + HE3 LYS 53 OK 95 100 95 100 5.1-6.8 2437/3.0=86, 6869/5.0=71...(15) * H LYS 53 + HE2 LYS 53 OK 85 100 85 100 5.2-6.9 2437/3.0=86, 6869/5.0=71...(15) H VAL 54 + HE2 LYS 53 OK 66 88 75 99 4.0-7.8 6887/5.0=72, 6890/3.9=71...(7) H VAL 54 + HE3 LYS 53 OK 65 88 75 99 3.8-7.8 6887/5.0=72, 6890/3.9=71...(7) H ARG 79 - HE3 LYS 53 lone 1 73 45 3 5.4-9.3 H ARG 79 - HE2 LYS 53 lone 1 73 30 3 4.8-8.8 Violated in 0 structures by 0.00 A. Peak 2460 from cnoeabs.peaks (5.04, 2.83, 41.80 ppm; 5.93 A): 3 out of 3 assignments used, quality = 1.00: * HA LYS 53 + HE2 LYS 53 OK 100 100 100 100 3.1-6.0 6.0=98, 2389/3.0=93...(37) HA LYS 53 + HE3 LYS 53 OK 100 100 100 100 3.0-5.9 6.0=98, 2389/3.0=93...(35) HA SER 59 + HE3 LYS 82 OK 34 41 85 97 5.0-6.6 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 11 assignments used, quality = 0.99: * HB2 LYS 53 + HE2 LYS 53 OK 90 100 90 100 2.0-4.5 5.0=51, ~2451=46...(42) HB2 LYS 53 + HE3 LYS 53 OK 85 100 85 100 2.0-4.7 5.0=51, ~2451=46...(42) HB2 LYS 90 + HE2 LYS 90 OK 54 60 90 100 3.3-4.4 4.8=58, 3942/3.0=46...(32) HB3 LYS 90 + HE2 LYS 90 OK 21 83 25 100 3.0-4.9 4.8=58, ~3981=44...(31) HB2 GLU 104 - HE2 LYS 53 far 4 73 5 - 4.1-14.1 HB3 GLU 104 - HE2 LYS 53 far 0 79 0 - 5.0-15.6 HB2 GLU 104 - HE3 LYS 53 far 0 73 0 - 5.3-13.2 HB3 GLU 104 - HE3 LYS 53 far 0 78 0 - 6.3-14.2 HB ILE 93 - HE2 LYS 90 far 0 46 0 - 7.5-9.1 HB2 GLU 88 - HE2 LYS 90 far 0 56 0 - 7.8-9.4 HB2 GLU 88 - HE3 LYS 82 far 0 29 0 - 8.5-10.0 Violated in 0 structures by 0.00 A. Peak 2462 from cnoeabs.peaks (1.69, 2.83, 41.80 ppm; 3.85 A): 2 out of 20 assignments used, quality = 0.89: 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 40 100 40 100 3.6-5.0 2451/3.0=70, 5.0=45...(38) ! HB3 LYS 53 - HE2 LYS 53 poor 20 100 20 100 3.6-5.0 2451/3.0=70, 5.0=45...(39) HG2 PRO 86 - HE2 LYS 90 far 0 83 0 - 4.5-7.4 HD3 LYS 20 - HE2 LYS 90 far 0 81 0 - 5.0-9.2 HG3 LYS 20 - HE2 LYS 90 far 0 81 0 - 5.2-9.9 HB3 ARG 79 - HE2 LYS 53 far 0 75 0 - 5.9-9.9 HB3 ARG 79 - HE3 LYS 53 far 0 75 0 - 6.5-10.1 HD2 LYS 20 - HE2 LYS 90 far 0 83 0 - 6.7-9.0 HB ILE 52 - HE3 LYS 53 far 0 96 0 - 7.2-9.2 HB2 LEU 2 - HE3 LYS 53 far 0 95 0 - 7.3-9.2 HB2 LEU 2 - HE2 LYS 53 far 0 96 0 - 7.4-9.7 HB ILE 52 - HE2 LYS 53 far 0 96 0 - 7.4-9.5 HB3 ARG 91 - HE2 LYS 90 far 0 85 0 - 7.6-8.6 HD2 LYS 24 - HE2 LYS 90 far 0 82 0 - 7.8-11.6 HD3 LYS 24 - HE2 LYS 90 far 0 81 0 - 7.9-11.6 HD2 LYS 13 - HE2 LYS 90 far 0 78 0 - 8.3-12.0 HD3 LYS 13 - HE2 LYS 90 far 0 76 0 - 8.5-11.6 HD3 LYS 68 - HE3 LYS 82 far 0 27 0 - 8.8-12.9 HD2 LYS 68 - HE3 LYS 82 far 0 28 0 - 9.2-13.1 Violated in 0 structures by 0.00 A. Peak 2463 from cnoeabs.peaks (1.46, 2.83, 41.80 ppm; 3.14 A increased from 2.79 A): 5 out of 20 assignments used, quality = 1.00: HD2 LYS 53 + HE2 LYS 53 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 53 + HE3 LYS 53 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 53 + HE3 LYS 53 OK 92 100 95 97 2.2-3.6 3.9=51, 2422/3.0=26...(33) * HG2 LYS 53 + HE2 LYS 53 OK 49 100 50 98 2.1-3.7 3.9=51, 2422/3.0=26...(37) HD2 LYS 82 + HE3 LYS 82 OK 48 48 100 100 2.4-3.0 3.0=100 HG3 LYS 53 - HE2 LYS 53 poor 20 100 20 - 2.7-4.2 HG3 LYS 53 - HE3 LYS 53 poor 20 100 20 - 2.8-4.1 HB3 LEU 64 - HE3 LYS 82 far 0 34 0 - 5.3-6.7 HG2 LYS 20 - HE2 LYS 90 far 0 84 0 - 5.8-10.1 HB2 ARG 91 - HE2 LYS 90 far 0 69 0 - 6.6-8.4 HG LEU 64 - HE3 LYS 82 far 0 42 0 - 6.8-8.8 HG13 ILE 52 - HE2 LYS 53 far 0 100 0 - 7.5-9.6 HG13 ILE 52 - HE3 LYS 53 far 0 100 0 - 7.5-9.0 QB ALA 22 - HE2 LYS 90 far 0 62 0 - 8.6-10.4 HG13 ILE 76 - HE3 LYS 53 far 0 82 0 - 9.2-13.5 HG3 ARG 91 - HE2 LYS 90 far 0 81 0 - 9.2-10.7 HG2 LYS 13 - HE2 LYS 90 far 0 54 0 - 9.7-12.1 HG12 ILE 7 - HE2 LYS 90 far 0 44 0 - 9.7-12.1 HG13 ILE 76 - HE2 LYS 53 far 0 82 0 - 9.9-12.7 HG3 LYS 13 - HE2 LYS 90 far 0 52 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 2464 from cnoeabs.peaks (1.47, 2.83, 41.80 ppm; 3.14 A increased from 2.79 A): 5 out of 19 assignments used, quality = 1.00: HD2 LYS 53 + HE2 LYS 53 OK 99 99 100 100 2.4-3.0 3.0=100 HD2 LYS 53 + HE3 LYS 53 OK 99 99 100 100 2.3-3.0 3.0=100 HG2 LYS 53 + HE3 LYS 53 OK 92 100 95 97 2.2-3.6 3.9=51, 2422/3.0=26...(33) HG2 LYS 53 + HE2 LYS 53 OK 49 100 50 98 2.1-3.7 3.9=51, 2422/3.0=26...(37) HD2 LYS 82 + HE3 LYS 82 OK 47 47 100 100 2.4-3.0 3.0=100 HG3 LYS 53 - HE3 LYS 53 poor 20 100 20 - 2.8-4.1 ! HG3 LYS 53 - HE2 LYS 53 poor 20 100 20 98 2.7-4.2 3.9=51, 2422/3.0=26...(36) HB3 LEU 64 - HE3 LYS 82 far 0 38 0 - 5.3-6.7 HG2 LYS 20 - HE2 LYS 90 far 0 81 0 - 5.8-10.1 HB2 ARG 91 - HE2 LYS 90 far 0 75 0 - 6.6-8.4 HG LEU 64 - HE3 LYS 82 far 0 45 0 - 6.8-8.8 HG13 ILE 52 - HE2 LYS 53 far 0 99 0 - 7.5-9.6 HG13 ILE 52 - HE3 LYS 53 far 0 98 0 - 7.5-9.0 QB ALA 22 - HE2 LYS 90 far 0 54 0 - 8.6-10.4 HG13 ILE 76 - HE3 LYS 53 far 0 73 0 - 9.2-13.5 HG3 ARG 91 - HE2 LYS 90 far 0 77 0 - 9.2-10.7 HG2 LYS 13 - HE2 LYS 90 far 0 46 0 - 9.7-12.1 HG13 ILE 76 - HE2 LYS 53 far 0 73 0 - 9.9-12.7 HG3 LYS 13 - HE2 LYS 90 far 0 60 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 2465 from cnoeabs.peaks (1.46, 2.83, 41.80 ppm; 3.14 A increased from 2.79 A): 5 out of 20 assignments used, quality = 1.00: * HD2 LYS 53 + HE2 LYS 53 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 53 + HE3 LYS 53 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 53 + HE3 LYS 53 OK 92 100 95 97 2.2-3.6 3.9=51, 2422/3.0=26...(33) HG2 LYS 53 + HE2 LYS 53 OK 49 100 50 98 2.1-3.7 3.9=51, 2422/3.0=26...(37) HD2 LYS 82 + HE3 LYS 82 OK 49 49 100 100 2.4-3.0 3.0=100 HG3 LYS 53 - HE2 LYS 53 poor 20 99 20 - 2.7-4.2 HG3 LYS 53 - HE3 LYS 53 poor 20 99 20 - 2.8-4.1 HB3 LEU 64 - HE3 LYS 82 far 0 30 0 - 5.3-6.7 HG2 LYS 20 - HE2 LYS 90 far 0 85 0 - 5.8-10.1 HB2 ARG 91 - HE2 LYS 90 far 0 63 0 - 6.6-8.4 HG LEU 64 - HE3 LYS 82 far 0 39 0 - 6.8-8.8 HG13 ILE 52 - HE2 LYS 53 far 0 100 0 - 7.5-9.6 HG13 ILE 52 - HE3 LYS 53 far 0 100 0 - 7.5-9.0 QB ALA 22 - HE2 LYS 90 far 0 68 0 - 8.6-10.4 HG13 ILE 76 - HE3 LYS 53 far 0 88 0 - 9.2-13.5 HG3 ARG 91 - HE2 LYS 90 far 0 83 0 - 9.2-10.7 HG2 LYS 13 - HE2 LYS 90 far 0 60 0 - 9.7-12.1 HG12 ILE 7 - HE2 LYS 90 far 0 51 0 - 9.7-12.1 HG13 ILE 76 - HE2 LYS 53 far 0 88 0 - 9.9-12.7 HG3 LYS 13 - HE2 LYS 90 far 0 46 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 2466 from cnoeabs.peaks (1.55, 2.83, 41.80 ppm; 3.21 A): 3 out of 23 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 2.4-3.0 3.0=100 HD3 LYS 82 + HE3 LYS 82 OK 44 44 100 100 2.6-3.0 3.0=100 HG3 LYS 90 - HE2 LYS 90 poor 14 56 25 - 2.1-3.6 HB3 LEU 103 - HE2 LYS 53 far 0 79 0 - 4.1-12.5 HG LEU 103 - HE3 LYS 53 far 0 77 0 - 4.4-12.2 HB2 LEU 103 - HE3 LYS 53 far 0 71 0 - 4.7-12.3 HG LEU 103 - HE2 LYS 53 far 0 77 0 - 5.0-13.7 HB2 LEU 103 - HE2 LYS 53 far 0 71 0 - 5.1-12.9 HB3 LEU 103 - HE3 LYS 53 far 0 78 0 - 5.3-13.0 HG2 ARG 79 - HE2 LYS 53 far 0 94 0 - 5.8-9.3 HG2 ARG 79 - HE3 LYS 53 far 0 94 0 - 6.0-9.6 HG3 ARG 79 - HE3 LYS 53 far 0 94 0 - 6.1-10.5 HG3 ARG 79 - HE2 LYS 53 far 0 95 0 - 6.2-10.5 HB2 LEU 14 - HE2 LYS 90 far 0 59 0 - 7.2-10.2 HB2 LEU 3 - HE3 LYS 53 far 0 100 0 - 7.2-9.8 HG2 LYS 24 - HE2 LYS 90 far 0 52 0 - 7.7-12.6 HB2 LEU 3 - HE2 LYS 53 far 0 100 0 - 8.2-9.7 HG LEU 2 - HE3 LYS 53 far 0 63 0 - 8.3-10.9 HG12 ILE 56 - HE2 LYS 53 far 0 91 0 - 8.6-12.4 HG LEU 2 - HE2 LYS 53 far 0 63 0 - 8.6-11.5 HG12 ILE 56 - HE3 LYS 53 far 0 90 0 - 8.8-13.0 HG2 ARG 19 - HE2 LYS 90 far 0 54 0 - 9.7-13.3 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; 6.40 A increased from 5.12 A): 4 out of 8 assignments used, quality = 1.00: H LYS 53 + HE3 LYS 53 OK 83 88 95 100 5.1-6.8 2447/3.0=89, 2458/3.0=69...(15) H LYS 53 + HE2 LYS 53 OK 75 88 85 100 5.2-6.9 2447/3.0=89, 2458/3.0=69...(15) * H VAL 54 + HE2 LYS 53 OK 75 100 75 100 4.0-7.8 6887/5.0=86, 6890/3.9=85...(7) H VAL 54 + HE3 LYS 53 OK 75 100 75 100 3.8-7.8 6887/5.0=86, 6890/3.9=85...(7) H LEU 2 - HE2 LYS 53 far 9 93 10 - 6.2-9.1 H LEU 2 - HE3 LYS 53 far 9 93 10 - 5.8-8.5 H ARG 79 - HE3 LYS 53 lone 1 99 45 3 5.4-9.3 H ARG 79 - HE2 LYS 53 lone 1 99 30 3 4.8-8.8 Violated in 0 structures by 0.00 A. Peak 2470 from cnoeabs.peaks (8.47, 2.83, 41.80 ppm; 6.41 A increased from 5.70 A): 4 out of 6 assignments used, quality = 1.00: * H LYS 53 + HE3 LYS 53 OK 95 100 95 100 5.1-6.8 2437/3.0=86, 6869/5.0=71...(15) H LYS 53 + HE2 LYS 53 OK 85 100 85 100 5.2-6.9 2437/3.0=86, 6869/5.0=71...(15) H VAL 54 + HE3 LYS 53 OK 66 88 75 99 3.8-7.8 6887/5.0=72, 6890/3.9=71...(7) H VAL 54 + HE2 LYS 53 OK 65 88 75 99 4.0-7.8 6887/5.0=72, 6890/3.9=71...(7) H ARG 79 - HE3 LYS 53 lone 1 73 45 3 5.4-9.3 H ARG 79 - HE2 LYS 53 lone 1 73 30 3 4.8-8.8 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 3.0-5.9 6.0=98, 2389/3.0=93...(35) HA LYS 53 + HE2 LYS 53 OK 100 100 100 100 3.1-6.0 6.0=98, 2389/3.0=93...(37) HA SER 59 + HE3 LYS 82 OK 38 46 85 97 5.0-6.6 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): 3 out of 11 assignments used, quality = 0.99: HB2 LYS 53 + HE2 LYS 53 OK 90 100 90 100 2.0-4.5 5.0=51, ~2451=46...(42) * HB2 LYS 53 + HE3 LYS 53 OK 85 100 85 100 2.0-4.7 5.0=51, ~2451=46...(42) HB2 LYS 90 + HE2 LYS 90 OK 49 55 90 100 3.3-4.4 4.8=58, 3942/3.0=46...(32) HB3 LYS 90 - HE2 LYS 90 poor 19 77 25 - 3.0-4.9 HB2 GLU 104 - HE2 LYS 53 far 4 73 5 - 4.1-14.1 HB3 GLU 104 - HE2 LYS 53 far 0 78 0 - 5.0-15.6 HB2 GLU 104 - HE3 LYS 53 far 0 73 0 - 5.3-13.2 HB3 GLU 104 - HE3 LYS 53 far 0 79 0 - 6.3-14.2 HB ILE 93 - HE2 LYS 90 far 0 41 0 - 7.5-9.1 HB2 GLU 88 - HE2 LYS 90 far 0 50 0 - 7.8-9.4 HB2 GLU 88 - HE3 LYS 82 far 0 33 0 - 8.5-10.0 Violated in 0 structures by 0.00 A. Peak 2473 from cnoeabs.peaks (1.69, 2.83, 41.80 ppm; 3.85 A): 2 out of 20 assignments used, quality = 0.85: HD3 LYS 90 + HE2 LYS 90 OK 75 75 100 100 2.3-3.0 3.0=100 * HB3 LYS 53 + HE3 LYS 53 OK 40 100 40 100 3.6-5.0 2451/3.0=70, 5.0=45...(38) HB3 LYS 53 - HE2 LYS 53 poor 20 100 20 - 3.6-5.0 HG2 PRO 86 - HE2 LYS 90 far 0 77 0 - 4.5-7.4 HD3 LYS 20 - HE2 LYS 90 far 0 75 0 - 5.0-9.2 HG3 LYS 20 - HE2 LYS 90 far 0 75 0 - 5.2-9.9 HB3 ARG 79 - HE2 LYS 53 far 0 75 0 - 5.9-9.9 HB3 ARG 79 - HE3 LYS 53 far 0 75 0 - 6.5-10.1 HD2 LYS 20 - HE2 LYS 90 far 0 76 0 - 6.7-9.0 HB ILE 52 - HE3 LYS 53 far 0 96 0 - 7.2-9.2 HB2 LEU 2 - HE3 LYS 53 far 0 96 0 - 7.3-9.2 HB2 LEU 2 - HE2 LYS 53 far 0 95 0 - 7.4-9.7 HB ILE 52 - HE2 LYS 53 far 0 96 0 - 7.4-9.5 HB3 ARG 91 - HE2 LYS 90 far 0 78 0 - 7.6-8.6 HD2 LYS 24 - HE2 LYS 90 far 0 75 0 - 7.8-11.6 HD3 LYS 24 - HE2 LYS 90 far 0 75 0 - 7.9-11.6 HD2 LYS 13 - HE2 LYS 90 far 0 72 0 - 8.3-12.0 HD3 LYS 13 - HE2 LYS 90 far 0 70 0 - 8.5-11.6 HD3 LYS 68 - HE3 LYS 82 far 0 31 0 - 8.8-12.9 HD2 LYS 68 - HE3 LYS 82 far 0 32 0 - 9.2-13.1 Violated in 0 structures by 0.00 A. Peak 2474 from cnoeabs.peaks (1.46, 2.83, 41.80 ppm; 3.14 A increased from 2.79 A): 5 out of 20 assignments used, quality = 1.00: HD2 LYS 53 + HE3 LYS 53 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 53 + HE2 LYS 53 OK 100 100 100 100 2.4-3.0 3.0=100 * HG2 LYS 53 + HE3 LYS 53 OK 93 100 95 97 2.2-3.6 3.9=51, 2422/3.0=26...(33) HD2 LYS 82 + HE3 LYS 82 OK 54 54 100 100 2.4-3.0 3.0=100 HG2 LYS 53 + HE2 LYS 53 OK 49 100 50 98 2.1-3.7 3.9=51, 2422/3.0=26...(37) HG3 LYS 53 - HE3 LYS 53 poor 20 100 20 - 2.8-4.1 HG3 LYS 53 - HE2 LYS 53 poor 20 100 20 - 2.7-4.2 HB3 LEU 64 - HE3 LYS 82 far 0 39 0 - 5.3-6.7 HG2 LYS 20 - HE2 LYS 90 far 0 77 0 - 5.8-10.1 HB2 ARG 91 - HE2 LYS 90 far 0 63 0 - 6.6-8.4 HG LEU 64 - HE3 LYS 82 far 0 48 0 - 6.8-8.8 HG13 ILE 52 - HE2 LYS 53 far 0 100 0 - 7.5-9.6 HG13 ILE 52 - HE3 LYS 53 far 0 100 0 - 7.5-9.0 QB ALA 22 - HE2 LYS 90 far 0 56 0 - 8.6-10.4 HG13 ILE 76 - HE3 LYS 53 far 0 82 0 - 9.2-13.5 HG3 ARG 91 - HE2 LYS 90 far 0 75 0 - 9.2-10.7 HG2 LYS 13 - HE2 LYS 90 far 0 49 0 - 9.7-12.1 HG12 ILE 7 - HE2 LYS 90 far 0 40 0 - 9.7-12.1 HG13 ILE 76 - HE2 LYS 53 far 0 82 0 - 9.9-12.7 HG3 LYS 13 - HE2 LYS 90 far 0 47 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 2475 from cnoeabs.peaks (1.47, 2.83, 41.80 ppm; 3.14 A increased from 2.79 A): 5 out of 19 assignments used, quality = 1.00: HD2 LYS 53 + HE3 LYS 53 OK 99 99 100 100 2.3-3.0 3.0=100 HD2 LYS 53 + HE2 LYS 53 OK 99 99 100 100 2.4-3.0 3.0=100 HG2 LYS 53 + HE3 LYS 53 OK 92 100 95 97 2.2-3.6 3.9=51, 2422/3.0=26...(33) HD2 LYS 82 + HE3 LYS 82 OK 53 53 100 100 2.4-3.0 3.0=100 HG2 LYS 53 + HE2 LYS 53 OK 49 100 50 98 2.1-3.7 3.9=51, 2422/3.0=26...(37) HG3 LYS 53 - HE2 LYS 53 poor 20 100 20 - 2.7-4.2 ! HG3 LYS 53 - HE3 LYS 53 poor 19 100 20 97 2.8-4.1 3.9=51, 2422/3.0=26...(32) HB3 LEU 64 - HE3 LYS 82 far 0 43 0 - 5.3-6.7 HG2 LYS 20 - HE2 LYS 90 far 0 75 0 - 5.8-10.1 HB2 ARG 91 - HE2 LYS 90 far 0 69 0 - 6.6-8.4 HG LEU 64 - HE3 LYS 82 far 0 51 0 - 6.8-8.8 HG13 ILE 52 - HE2 LYS 53 far 0 98 0 - 7.5-9.6 HG13 ILE 52 - HE3 LYS 53 far 0 99 0 - 7.5-9.0 QB ALA 22 - HE2 LYS 90 far 0 49 0 - 8.6-10.4 HG13 ILE 76 - HE3 LYS 53 far 0 73 0 - 9.2-13.5 HG3 ARG 91 - HE2 LYS 90 far 0 71 0 - 9.2-10.7 HG2 LYS 13 - HE2 LYS 90 far 0 41 0 - 9.7-12.1 HG13 ILE 76 - HE2 LYS 53 far 0 73 0 - 9.9-12.7 HG3 LYS 13 - HE2 LYS 90 far 0 55 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 2476 from cnoeabs.peaks (1.46, 2.83, 41.80 ppm; 3.14 A increased from 2.79 A): 5 out of 20 assignments used, quality = 1.00: * HD2 LYS 53 + HE3 LYS 53 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 53 + HE2 LYS 53 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 53 + HE3 LYS 53 OK 92 100 95 97 2.2-3.6 3.9=51, 2422/3.0=26...(33) HD2 LYS 82 + HE3 LYS 82 OK 55 55 100 100 2.4-3.0 3.0=100 HG2 LYS 53 + HE2 LYS 53 OK 49 100 50 98 2.1-3.7 3.9=51, 2422/3.0=26...(37) HG3 LYS 53 - HE3 LYS 53 poor 20 99 20 - 2.8-4.1 HG3 LYS 53 - HE2 LYS 53 poor 20 99 20 - 2.7-4.2 HB3 LEU 64 - HE3 LYS 82 far 0 34 0 - 5.3-6.7 HG2 LYS 20 - HE2 LYS 90 far 0 78 0 - 5.8-10.1 HB2 ARG 91 - HE2 LYS 90 far 0 58 0 - 6.6-8.4 HG LEU 64 - HE3 LYS 82 far 0 44 0 - 6.8-8.8 HG13 ILE 52 - HE2 LYS 53 far 0 100 0 - 7.5-9.6 HG13 ILE 52 - HE3 LYS 53 far 0 100 0 - 7.5-9.0 QB ALA 22 - HE2 LYS 90 far 0 62 0 - 8.6-10.4 HG13 ILE 76 - HE3 LYS 53 far 0 88 0 - 9.2-13.5 HG3 ARG 91 - HE2 LYS 90 far 0 77 0 - 9.2-10.7 HG2 LYS 13 - HE2 LYS 90 far 0 55 0 - 9.7-12.1 HG12 ILE 7 - HE2 LYS 90 far 0 46 0 - 9.7-12.1 HG13 ILE 76 - HE2 LYS 53 far 0 88 0 - 9.9-12.7 HG3 LYS 13 - HE2 LYS 90 far 0 41 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 2477 from cnoeabs.peaks (1.55, 2.83, 41.80 ppm; 3.21 A): 3 out of 23 assignments used, quality = 1.00: * HD3 LYS 53 + HE3 LYS 53 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 53 + HE2 LYS 53 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 82 + HE3 LYS 82 OK 50 50 100 100 2.6-3.0 3.0=100 HG3 LYS 90 - HE2 LYS 90 poor 13 50 25 - 2.1-3.6 HB3 LEU 103 - HE2 LYS 53 far 0 78 0 - 4.1-12.5 HG LEU 103 - HE3 LYS 53 far 0 77 0 - 4.4-12.2 HB2 LEU 103 - HE3 LYS 53 far 0 71 0 - 4.7-12.3 HG LEU 103 - HE2 LYS 53 far 0 77 0 - 5.0-13.7 HB2 LEU 103 - HE2 LYS 53 far 0 71 0 - 5.1-12.9 HB3 LEU 103 - HE3 LYS 53 far 0 79 0 - 5.3-13.0 HG2 ARG 79 - HE2 LYS 53 far 0 94 0 - 5.8-9.3 HG2 ARG 79 - HE3 LYS 53 far 0 94 0 - 6.0-9.6 HG3 ARG 79 - HE3 LYS 53 far 0 95 0 - 6.1-10.5 HG3 ARG 79 - HE2 LYS 53 far 0 94 0 - 6.2-10.5 HB2 LEU 14 - HE2 LYS 90 far 0 53 0 - 7.2-10.2 HB2 LEU 3 - HE3 LYS 53 far 0 100 0 - 7.2-9.8 HG2 LYS 24 - HE2 LYS 90 far 0 47 0 - 7.7-12.6 HB2 LEU 3 - HE2 LYS 53 far 0 100 0 - 8.2-9.7 HG LEU 2 - HE3 LYS 53 far 0 63 0 - 8.3-10.9 HG12 ILE 56 - HE2 LYS 53 far 0 90 0 - 8.6-12.4 HG LEU 2 - HE2 LYS 53 far 0 63 0 - 8.6-11.5 HG12 ILE 56 - HE3 LYS 53 far 0 91 0 - 8.8-13.0 HG2 ARG 19 - HE2 LYS 90 far 0 49 0 - 9.7-13.3 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; 6.40 A increased from 5.12 A): 4 out of 8 assignments used, quality = 1.00: H LYS 53 + HE3 LYS 53 OK 84 88 95 100 5.1-6.8 2447/3.0=89, 2458/3.0=69...(15) * H VAL 54 + HE3 LYS 53 OK 75 100 75 100 3.8-7.8 6887/5.0=86, 6890/3.9=85...(7) H VAL 54 + HE2 LYS 53 OK 75 100 75 100 4.0-7.8 6887/5.0=86, 6890/3.9=85...(7) H LYS 53 + HE2 LYS 53 OK 75 88 85 100 5.2-6.9 2447/3.0=89, 2458/3.0=69...(15) H LEU 2 - HE3 LYS 53 far 9 93 10 - 5.8-8.5 H LEU 2 - HE2 LYS 53 far 9 93 10 - 6.2-9.1 H ARG 79 - HE3 LYS 53 lone 1 99 45 3 5.4-9.3 H ARG 79 - HE2 LYS 53 lone 1 99 30 3 4.8-8.8 Violated in 0 structures by 0.00 A. Peak 2481 from cnoeabs.peaks (8.49, 5.16, 60.16 ppm; 4.72 A): 3 out of 6 assignments used, quality = 1.00: * H VAL 54 + HA VAL 54 OK 100 100 100 100 2.9-2.9 3.0=100 H LYS 53 + HA VAL 54 OK 87 88 100 99 4.6-4.9 3.9/10651=50, ~6886=46...(12) H ARG 79 + HA VAL 54 OK 64 99 95 68 4.8-5.1 9692/9259=35...(4) H ILE 7 - HA VAL 54 far 0 73 0 - 8.6-9.1 H LEU 29 - HA VAL 54 far 0 59 0 - 8.8-9.3 H LEU 2 - HA VAL 54 far 0 93 0 - 8.9-9.6 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 - 6.0-6.4 HG LEU 42 - HA VAL 54 far 0 99 0 - 7.6-8.5 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 6 assignments used, quality = 1.00: * QG2 VAL 54 + HA VAL 54 OK 100 100 100 100 2.4-2.5 3.2=100 QD1 ILE 52 - HA VAL 54 far 0 57 0 - 4.7-6.1 QD2 LEU 6 - HA VAL 54 far 0 73 0 - 6.2-6.7 QD1 LEU 42 - HA VAL 54 far 0 70 0 - 7.5-8.2 QD1 LEU 29 - HA VAL 54 far 0 100 0 - 7.5-8.2 QD2 LEU 29 - HA VAL 54 far 0 98 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 2485 from cnoeabs.peaks (0.76, 5.16, 60.16 ppm; 3.49 A): 1 out of 14 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 far 0 96 0 - 4.2-4.5 QD1 LEU 6 - HA VAL 54 far 0 99 0 - 4.6-5.4 QG2 ILE 52 - HA VAL 54 far 0 95 0 - 5.0-6.0 QG1 VAL 5 - HA VAL 54 far 0 68 0 - 5.1-5.7 QD2 LEU 42 - HA VAL 54 far 0 100 0 - 5.2-5.8 QD1 LEU 27 - HA VAL 54 far 0 100 0 - 5.8-6.9 QD2 LEU 57 - HA VAL 54 far 0 70 0 - 6.2-7.1 QD2 LEU 27 - HA VAL 54 far 0 73 0 - 6.8-7.6 QD1 ILE 76 - HA VAL 54 far 0 59 0 - 7.3-7.7 QG2 ILE 93 - HA VAL 54 far 0 99 0 - 7.7-8.4 QD1 ILE 93 - HA VAL 54 far 0 99 0 - 8.9-9.7 HG13 ILE 93 - HA VAL 54 far 0 94 0 - 8.9-10.4 QG2 ILE 7 - HA VAL 54 far 0 63 0 - 9.6-10.0 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, 6905/3.2=54...(11) 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...(12) H ARG 79 + HB VAL 54 OK 37 99 40 94 3.8-4.5 7284/10348=57...(7) H LYS 53 - HB VAL 54 far 0 88 0 - 6.0-6.4 H ILE 7 - HB VAL 54 far 0 73 0 - 9.1-9.8 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 2.7-3.5 3.2/12126=68, 10348=63...(13) HA LEU 3 - HB VAL 54 far 0 75 0 - 6.8-7.5 HA TYR 4 - HB VAL 54 far 0 96 0 - 6.8-7.5 HA ILE 7 - HB VAL 54 far 0 81 0 - 9.8-10.3 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 6 assignments used, quality = 1.00: * QG2 VAL 54 + HB VAL 54 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 42 - HB VAL 54 far 0 70 0 - 5.2-5.8 QD1 ILE 52 - HB VAL 54 far 0 57 0 - 5.3-6.7 QD2 LEU 6 - HB VAL 54 far 0 73 0 - 6.1-6.7 QD1 LEU 29 - HB VAL 54 far 0 100 0 - 9.2-10.0 QD2 LEU 29 - HB VAL 54 far 0 98 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 2491 from cnoeabs.peaks (0.76, 1.89, 35.51 ppm; 2.99 A): 2 out of 12 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 1.9-2.1 10351=49, 6898/6896=36...(12) QD2 LEU 42 - HB VAL 54 far 15 100 15 - 3.0-3.6 QD1 LEU 6 - HB VAL 54 far 0 99 0 - 3.6-4.5 QG2 ILE 52 - HB VAL 54 far 0 95 0 - 4.9-5.8 QD1 ILE 76 - HB VAL 54 far 0 59 0 - 5.1-5.6 QG1 VAL 5 - HB VAL 54 far 0 68 0 - 6.6-7.0 QD2 LEU 57 - HB VAL 54 far 0 70 0 - 7.0-7.5 QD1 LEU 27 - HB VAL 54 far 0 100 0 - 8.3-9.3 QD1 LEU 64 - HB VAL 54 far 0 92 0 - 9.2-10.0 QD2 LEU 27 - HB VAL 54 far 0 73 0 - 9.3-10.1 QG2 ILE 93 - HB VAL 54 far 0 99 0 - 9.9-10.6 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 3.7-4.3 4.5=100 Violated in 0 structures by 0.00 A. Peak 2493 from cnoeabs.peaks (8.49, 0.65, 22.12 ppm; 3.56 A): 1 out of 8 assignments used, quality = 1.00: * H VAL 54 + QG2 VAL 54 OK 100 100 100 100 2.1-3.0 6897=100, 6896/2.1=73...(13) H LYS 53 - QG2 VAL 54 far 13 88 15 - 3.8-4.2 H ARG 79 - QG2 VAL 54 far 0 99 0 - 5.0-5.5 H LEU 2 - QG2 VAL 54 far 0 93 0 - 7.6-8.0 H ILE 7 - QG2 VAL 54 far 0 73 0 - 7.9-8.7 H LEU 29 - QG2 VAL 54 far 0 59 0 - 8.1-9.1 H THR 31 - QG2 VAL 54 far 0 100 0 - 8.8-10.0 H VAL 32 - QG2 VAL 54 far 0 99 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 2494 from cnoeabs.peaks (5.16, 0.65, 22.12 ppm; 3.45 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 54 + QG2 VAL 54 OK 100 100 100 100 2.4-2.5 3.2=100 HA VAL 78 - QG2 VAL 54 far 7 71 10 - 3.7-4.4 HA TYR 4 - QG2 VAL 54 far 0 96 0 - 4.4-5.2 HA LEU 3 - QG2 VAL 54 far 0 75 0 - 4.5-5.3 HA ILE 7 - QG2 VAL 54 far 0 81 0 - 9.0-9.6 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 - 4.3-5.1 HB VAL 5 - QG2 VAL 54 far 0 87 0 - 6.6-7.2 HB3 LYS 47 - QG2 VAL 54 far 0 59 0 - 7.8-8.2 HB2 GLU 43 - QG2 VAL 54 far 0 91 0 - 8.8-9.2 HB3 LYS 39 - QG2 VAL 54 far 0 88 0 - 9.3-10.2 HB3 LYS 68 - QG2 VAL 54 far 0 97 0 - 9.4-10.1 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): 3 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 85 96 100 89 2.2-2.8 2502=38, 6898/6897=26...(14) QD2 LEU 42 + QG2 VAL 54 OK 39 100 95 41 2.3-3.1 10600/9222=21...(7) QG2 ILE 52 - QG2 VAL 54 far 14 95 15 - 2.7-3.5 QD1 LEU 6 - QG2 VAL 54 far 0 99 0 - 3.1-3.8 QD1 ILE 76 - QG2 VAL 54 far 0 59 0 - 3.9-4.4 QG1 VAL 5 - QG2 VAL 54 far 0 68 0 - 5.9-6.4 QD1 LEU 27 - QG2 VAL 54 far 0 100 0 - 6.5-7.5 QD2 LEU 57 - QG2 VAL 54 far 0 70 0 - 6.7-7.5 QD2 LEU 27 - QG2 VAL 54 far 0 73 0 - 6.8-7.7 QG2 ILE 93 - QG2 VAL 54 far 0 99 0 - 8.1-9.0 QG2 ILE 7 - QG2 VAL 54 far 0 63 0 - 8.6-9.3 QD1 ILE 93 - QG2 VAL 54 far 0 99 0 - 9.1-10.0 QD1 LEU 64 - QG2 VAL 54 far 0 92 0 - 9.3-10.0 HG13 ILE 93 - QG2 VAL 54 far 0 94 0 - 9.6-10.8 QG2 ILE 8 - QG2 VAL 54 far 0 85 0 - 10.0-10.5 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 3.9-4.2 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): 3 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 83 83 100 100 2.4-3.1 6898=100, 11101/3.2=62...(11) H ARG 79 + QG1 VAL 78 OK 81 81 100 100 3.9-4.0 4.3=84, 7285/2.1=77...(14) H ARG 79 - QG1 VAL 54 far 0 99 0 - 4.3-4.8 H LYS 53 - QG1 VAL 78 far 0 68 0 - 5.6-6.4 H ILE 7 - QG1 VAL 54 far 0 73 0 - 5.7-6.3 H LYS 53 - QG1 VAL 54 far 0 88 0 - 5.8-6.2 H LEU 29 - QG1 VAL 54 far 0 59 0 - 7.4-8.2 H THR 31 - QG1 VAL 54 far 0 100 0 - 7.5-8.3 H VAL 32 - QG1 VAL 54 far 0 99 0 - 7.7-8.3 H ALA 67 - QG1 VAL 78 far 0 80 0 - 8.3-9.0 H ALA 67 - QG1 VAL 54 far 0 99 0 - 8.8-9.4 H ILE 7 - QG1 VAL 78 far 0 54 0 - 9.2-9.7 H LEU 2 - QG1 VAL 78 far 0 72 0 - 9.3-10.3 H LEU 2 - QG1 VAL 54 far 0 93 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 2500 from cnoeabs.peaks (5.16, 0.76, 21.39 ppm; 3.39 A): 2 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 2.3-2.5 3.2=100 HA VAL 78 - QG1 VAL 54 far 0 71 0 - 4.0-4.6 HA VAL 54 - QG1 VAL 78 far 0 83 0 - 4.2-4.5 HA TYR 4 - QG1 VAL 54 far 0 96 0 - 4.5-5.1 HA LEU 3 - QG1 VAL 54 far 0 75 0 - 5.9-6.5 HA ILE 7 - QG1 VAL 54 far 0 81 0 - 6.5-7.0 HA LEU 3 - QG1 VAL 78 far 0 56 0 - 6.9-7.9 HA TYR 4 - QG1 VAL 78 far 0 76 0 - 7.6-8.3 HA ILE 7 - QG1 VAL 78 far 0 60 0 - 9.5-10.1 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 17 assignments used, quality = 1.00: * HB VAL 54 + QG1 VAL 54 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 54 + QG1 VAL 78 OK 78 83 100 93 1.9-2.1 2491=44, 6896/6898=34...(12) HG LEU 42 - QG1 VAL 54 far 0 99 0 - 4.1-5.0 HG LEU 42 - QG1 VAL 78 far 0 80 0 - 4.1-4.7 HB VAL 5 - QG1 VAL 54 far 0 87 0 - 5.0-5.5 HB3 LYS 68 - QG1 VAL 78 far 0 77 0 - 6.5-7.1 HB3 LYS 68 - QG1 VAL 54 far 0 97 0 - 8.2-8.8 HB ILE 8 - QG1 VAL 54 far 0 99 0 - 8.3-9.0 HB3 LYS 39 - QG1 VAL 78 far 0 68 0 - 8.3-9.7 HB3 LYS 39 - QG1 VAL 54 far 0 88 0 - 8.8-10.0 HB VAL 5 - QG1 VAL 78 far 0 66 0 - 8.9-9.2 HB2 GLU 43 - QG1 VAL 78 far 0 70 0 - 9.5-10.1 HB3 GLU 104 - QG1 VAL 78 far 0 76 0 - 9.6-18.9 HB3 LYS 47 - QG1 VAL 78 far 0 43 0 - 9.6-10.3 HB2 GLU 43 - QG1 VAL 54 far 0 91 0 - 9.7-10.4 HB3 LYS 47 - QG1 VAL 54 far 0 59 0 - 9.7-10.4 HB3 LYS 66 - QG1 VAL 78 far 0 66 0 - 9.9-10.6 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 15 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 75 83 100 90 2.2-2.8 2497=38, 6897/6898=28...(15) QD1 LEU 42 - QG1 VAL 78 far 0 51 0 - 3.5-3.9 QD2 LEU 6 - QG1 VAL 54 far 0 73 0 - 3.6-4.0 QD1 ILE 52 - QG1 VAL 54 far 0 57 0 - 4.4-5.7 QD1 LEU 42 - QG1 VAL 54 far 0 70 0 - 4.4-5.3 QD1 ILE 52 - QG1 VAL 78 far 0 41 0 - 5.1-6.2 QD1 LEU 29 - QG1 VAL 54 far 0 100 0 - 6.1-6.9 QD2 LEU 6 - QG1 VAL 78 far 0 54 0 - 6.2-6.6 QD2 LEU 29 - QG1 VAL 54 far 0 98 0 - 6.5-7.4 QD1 ILE 7 - QG1 VAL 54 far 0 70 0 - 7.9-8.5 QG2 VAL 58 - QG1 VAL 54 far 0 91 0 - 8.1-8.8 QG2 VAL 58 - QG1 VAL 78 far 0 70 0 - 8.7-9.7 QD1 LEU 29 - QG1 VAL 78 far 0 83 0 - 9.3-9.9 QD2 LEU 29 - QG1 VAL 78 far 0 79 0 - 9.7-10.5 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 1.9-2.7 6905=100, 6902/3.2=69...(17) H LEU 55 - QG1 VAL 78 far 0 83 0 - 5.1-5.5 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 2.4-3.0 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 2.4-3.0 3.0=100 HB3 ARG 81 - HA LEU 55 far 0 77 0 - 5.6-6.4 QG1 VAL 83 - HA LEU 55 far 0 95 0 - 7.7-8.6 HG12 ILE 52 - HA LEU 55 far 0 97 0 - 8.4-9.3 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 3.0-3.2 3.7=100 QG2 THR 80 + HA LEU 55 OK 96 96 100 100 5.3-5.8 3.2/9713=93...(7) QG2 VAL 5 + HA LEU 55 OK 94 94 100 100 4.5-4.7 6909/2.9=100, 10367=91...(19) HB2 ARG 81 - HA LEU 55 poor 7 73 30 32 6.5-7.9 3587/2538=30 QG2 VAL 83 - HA LEU 55 far 0 100 0 - 8.2-8.5 Violated in 0 structures by 0.00 A. Peak 2510 from cnoeabs.peaks (0.44, 4.67, 52.29 ppm; 4.37 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 55 + HA LEU 55 OK 100 100 100 100 1.9-2.6 4.0=100 HG2 ARG 81 - HA LEU 55 far 0 99 0 - 5.1-8.1 QD1 LEU 3 - HA LEU 55 far 0 82 0 - 8.2-8.9 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 2.2-2.2 6915=100, 2544/2538=44...(17) 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 2.4-3.2 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 2 assignments used, quality = 1.00: * HA LEU 55 + HB2 LEU 55 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 27 - HB2 LEU 55 far 0 94 0 - 8.8-10.2 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 - 6.6-7.2 QG1 VAL 83 - HB2 LEU 55 far 0 95 0 - 7.8-8.5 HG12 ILE 52 - HB2 LEU 55 far 0 97 0 - 8.4-9.4 Violated in 0 structures by 0.00 A. Peak 2517 from cnoeabs.peaks (0.96, -0.63, 42.07 ppm; 4.01 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 55 + HB2 LEU 55 OK 100 100 100 100 2.5-3.0 3.0=100 QG2 VAL 5 + HB2 LEU 55 OK 94 94 100 100 1.9-3.2 8198=76, 6909/6907=52...(22) QG2 THR 80 - HB2 LEU 55 far 0 96 0 - 7.2-7.7 HB2 ARG 81 - HB2 LEU 55 far 0 73 0 - 8.0-8.7 QG2 VAL 83 - HB2 LEU 55 far 0 100 0 - 8.0-8.8 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 far 0 99 0 - 6.2-8.7 QD1 LEU 3 - HB2 LEU 55 far 0 82 0 - 6.8-7.6 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 2.2-2.7 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 4.3-4.6 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 2.4-3.2 3.9=100 Violated in 0 structures by 0.00 A. Peak 2522 from cnoeabs.peaks (4.67, 1.03, 42.07 ppm; 5.02 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 55 + HB3 LEU 55 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 27 - HB3 LEU 55 far 0 94 0 - 9.1-10.2 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 2.5-3.0 3.0=100 QG2 VAL 5 + HB3 LEU 55 OK 94 94 100 100 1.9-3.3 8198/1.8=60, 2.1/9248=54...(21) HB2 ARG 81 - HB3 LEU 55 far 0 73 0 - 7.3-8.8 QG2 THR 80 - HB3 LEU 55 far 0 96 0 - 7.3-7.6 QG2 VAL 83 - HB3 LEU 55 far 0 100 0 - 7.6-8.7 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 2.1-3.2 3.1=100 HG2 ARG 81 - HB3 LEU 55 far 0 99 0 - 6.2-8.8 QD1 LEU 3 - HB3 LEU 55 far 0 82 0 - 6.6-7.8 Violated in 0 structures by 0.00 A. Peak 2527 from cnoeabs.peaks (0.51, 1.03, 42.07 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 55 + HB3 LEU 55 OK 100 100 100 100 2.0-2.6 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 3.0-3.2 3.7=100 HA LYS 82 - HG LEU 55 far 0 75 0 - 8.1-8.7 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): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 55 + HG LEU 55 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 ARG 81 - HG LEU 55 far 4 77 5 - 4.0-4.8 QG1 VAL 83 - HG LEU 55 far 0 95 0 - 5.4-6.4 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): 1 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 far 0 99 0 - 4.2-6.7 QD1 LEU 3 - HG LEU 55 far 0 82 0 - 8.9-9.5 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 3.5-3.9 2544/2.1=100...(8) 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 1 assignment used, quality = 1.00: * H LEU 55 + QD1 LEU 55 OK 100 100 100 100 4.1-4.5 6910=99, 2.9/2538=88...(14) 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 2 assignments used, quality = 0.99: * HA LEU 55 + QD1 LEU 55 OK 99 100 100 99 1.9-2.6 4.0=59, 6915/2544=49...(15) HA LYS 82 - QD1 LEU 55 far 0 75 0 - 7.0-7.6 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 2.1-3.2 3.1=100 HB3 ARG 81 + QD1 LEU 55 OK 65 77 100 84 2.8-3.5 4.0/9280=29, 3.0/9257=24...(11) QG1 VAL 83 - QD1 LEU 55 far 0 95 0 - 5.2-5.4 HG2 LYS 82 - QD1 LEU 55 far 0 68 0 - 9.0-9.6 HG12 ILE 52 - QD1 LEU 55 far 0 97 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. Peak 2541 from cnoeabs.peaks (0.96, 0.44, 22.30 ppm; 3.13 A): 1 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 far 0 73 0 - 3.6-4.6 QG2 VAL 5 - QD1 LEU 55 far 0 94 0 - 4.2-4.2 QG2 THR 80 - QD1 LEU 55 far 0 96 0 - 5.0-5.3 QG2 VAL 83 - QD1 LEU 55 far 0 100 0 - 5.6-6.5 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 3.2-3.5 6919=88, 6915/2538=52...(18) H THR 84 - QD1 LEU 55 far 0 98 0 - 9.9-10.5 Violated in 4 structures by 0.00 A. Peak 2545 from cnoeabs.peaks (8.64, 0.51, 26.14 ppm; 5.02 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 55 + QD2 LEU 55 OK 100 100 100 100 4.1-4.4 4.8=100 H ALA 18 - QD2 LEU 55 far 0 93 0 - 8.3-9.0 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 - 8.1-8.5 HA LEU 27 - QD2 LEU 55 far 0 94 0 - 8.1-8.8 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 2.2-2.7 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): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 55 + QD2 LEU 55 OK 100 100 100 100 2.0-2.6 3.1=100 HB3 ARG 81 - QD2 LEU 55 far 0 77 0 - 4.3-4.9 QG1 VAL 83 - QD2 LEU 55 far 0 95 0 - 4.8-5.3 HG12 ILE 52 - QD2 LEU 55 far 0 97 0 - 9.1-10.0 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 2.1-2.7 2.1/8195=52, 8197/2.1=33...(25) HB2 ARG 81 - QD2 LEU 55 far 0 73 0 - 5.3-6.0 QG2 VAL 83 - QD2 LEU 55 far 0 100 0 - 5.5-5.8 QG2 THR 80 - QD2 LEU 55 far 0 96 0 - 6.7-7.0 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 0 99 0 - 4.4-6.5 QD1 LEU 3 - QD2 LEU 55 far 0 82 0 - 6.2-7.0 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 4.9-5.1 6920=100, 2544/2.1=100...(9) H THR 84 - QD2 LEU 55 far 0 98 0 - 9.8-10.2 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 4 assignments used, quality = 1.00: * HB ILE 56 + HA ILE 56 OK 100 100 100 100 3.0-3.0 3.0=100 HB VAL 78 - HA ILE 56 far 0 95 0 - 5.4-6.0 HB3 GLU 63 - HA ILE 56 far 0 96 0 - 9.3-9.6 HD2 ARG 81 - HA ILE 56 far 0 61 0 - 9.5-10.8 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 2.2-2.3 3.2=100 QD1 ILE 7 - HA ILE 56 far 0 91 0 - 6.7-7.3 Violated in 0 structures by 0.00 A. Peak 2557 from cnoeabs.peaks (1.53, 4.88, 59.98 ppm; 3.85 A): 1 out of 7 assignments used, quality = 1.00: * HG12 ILE 56 + HA ILE 56 OK 100 100 100 100 2.9-3.1 3.9=95, 6924/3.0=61...(14) HG LEU 6 - HA ILE 56 far 0 100 0 - 4.8-5.1 HG LEU 57 - HA ILE 56 far 0 77 0 - 5.5-6.0 HG3 ARG 79 - HA ILE 56 far 0 100 0 - 5.6-9.5 HB ILE 7 - HA ILE 56 far 0 99 0 - 6.2-6.3 HG2 ARG 79 - HA ILE 56 far 0 100 0 - 7.1-9.6 HG3 ARG 30 - HA ILE 56 far 0 100 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 2558 from cnoeabs.peaks (0.71, 4.88, 59.98 ppm; 4.84 A): 6 out of 17 assignments used, quality = 1.00: * HG13 ILE 56 + HA ILE 56 OK 100 100 100 100 2.6-2.7 3.9=100 QD1 ILE 56 + HA ILE 56 OK 100 100 100 100 3.9-3.9 4.2=100 QD1 ILE 8 + HA ILE 56 OK 98 100 100 98 4.3-4.9 2600/6930=64, 2594=48...(7) QG1 VAL 5 + HA ILE 56 OK 93 98 100 95 4.0-4.5 178/8216=73, 8167/3.0=36...(6) QG1 VAL 58 + HA ILE 56 OK 93 100 100 93 4.5-4.7 10714/6930=56...(6) QD2 LEU 6 + HA ILE 56 OK 28 81 35 100 5.1-5.2 3.1/8223=70, 3.1/8221=67...(9) QG2 VAL 78 - HA ILE 56 far 0 100 0 - 5.6-5.9 QG1 VAL 78 - HA ILE 56 far 0 75 0 - 6.0-6.6 QG2 VAL 58 - HA ILE 56 far 0 59 0 - 6.2-6.7 QD1 LEU 64 - HA ILE 56 far 0 82 0 - 6.3-6.8 QD1 LEU 42 - HA ILE 56 far 0 84 0 - 6.9-7.5 HG3 ARG 81 - HA ILE 56 far 0 85 0 - 7.7-8.7 HG13 ILE 93 - HA ILE 56 far 0 79 0 - 7.8-8.7 QD2 LEU 14 - HA ILE 56 far 0 100 0 - 8.1-8.6 QG2 ILE 93 - HA ILE 56 far 0 65 0 - 8.4-8.9 QD1 ILE 52 - HA ILE 56 far 0 92 0 - 9.5-10.9 QD1 LEU 14 - HA ILE 56 far 0 63 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 2559 from cnoeabs.peaks (0.71, 4.88, 59.98 ppm; 4.36 A): 5 out of 16 assignments used, quality = 1.00: * QD1 ILE 56 + HA ILE 56 OK 100 100 100 100 3.9-3.9 4.2=100 HG13 ILE 56 + HA ILE 56 OK 100 100 100 100 2.6-2.7 3.9=100 QD1 ILE 8 + HA ILE 56 OK 90 100 95 94 4.3-4.9 2600/6930=52...(7) QG1 VAL 5 + HA ILE 56 OK 83 93 100 90 4.0-4.5 6067/8216=62...(6) QG1 VAL 58 + HA ILE 56 OK 67 98 80 86 4.5-4.7 10714/6930=43...(6) QD2 LEU 6 - HA ILE 56 far 0 91 0 - 5.1-5.2 QG2 VAL 78 - HA ILE 56 far 0 97 0 - 5.6-5.9 QG1 VAL 78 - HA ILE 56 far 0 61 0 - 6.0-6.6 QG2 VAL 58 - HA ILE 56 far 0 73 0 - 6.2-6.7 QD1 LEU 64 - HA ILE 56 far 0 70 0 - 6.3-6.8 QD1 LEU 42 - HA ILE 56 far 0 93 0 - 6.9-7.5 HG3 ARG 81 - HA ILE 56 far 0 73 0 - 7.7-8.7 HG13 ILE 93 - HA ILE 56 far 0 65 0 - 7.8-8.7 QD2 LEU 14 - HA ILE 56 far 0 100 0 - 8.1-8.6 QD1 ILE 52 - HA ILE 56 far 0 98 0 - 9.5-10.9 QD1 LEU 14 - HA ILE 56 far 0 77 0 - 9.7-9.9 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...(13) H VAL 5 - HA ILE 56 far 0 99 0 - 6.9-7.1 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 2.5-2.6 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 1 assignment used, quality = 1.00: * HA ILE 56 + HB ILE 56 OK 100 100 100 100 3.0-3.0 3.0=100 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 - 8.5-9.3 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 6 assignments used, quality = 1.00: * HG12 ILE 56 + HB ILE 56 OK 100 100 100 100 2.5-2.6 2.9=100 HG3 ARG 79 - HB ILE 56 far 0 100 0 - 4.9-8.0 HG2 ARG 79 - HB ILE 56 far 0 100 0 - 6.4-8.6 HG LEU 6 - HB ILE 56 far 0 100 0 - 7.0-7.4 HG LEU 57 - HB ILE 56 far 0 77 0 - 7.1-7.7 HB ILE 7 - HB ILE 56 far 0 99 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 2566 from cnoeabs.peaks (0.71, 1.76, 38.18 ppm; 3.08 A): 2 out of 13 assignments used, quality = 1.00: * HG13 ILE 56 + HB ILE 56 OK 100 100 100 100 3.0-3.0 2.9=100 QD1 ILE 56 + HB ILE 56 OK 98 100 100 98 2.2-2.4 3.2=86, 2596/2.1=37...(11) QG2 VAL 78 - HB ILE 56 far 0 100 0 - 3.8-4.1 QG1 VAL 58 - HB ILE 56 far 0 100 0 - 3.8-4.2 QD1 LEU 64 - HB ILE 56 far 0 82 0 - 4.3-5.0 QD1 ILE 8 - HB ILE 56 far 0 100 0 - 4.6-5.2 QG2 VAL 58 - HB ILE 56 far 0 59 0 - 5.1-5.8 QG1 VAL 78 - HB ILE 56 far 0 75 0 - 5.2-5.9 QG1 VAL 5 - HB ILE 56 far 0 98 0 - 6.2-6.7 QD1 LEU 42 - HB ILE 56 far 0 84 0 - 6.2-6.9 QD2 LEU 6 - HB ILE 56 far 0 81 0 - 6.9-7.1 HG3 ARG 81 - HB ILE 56 far 0 85 0 - 7.1-8.1 QD2 LEU 14 - HB ILE 56 far 0 100 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 2567 from cnoeabs.peaks (0.71, 1.76, 38.18 ppm; 3.24 A): 2 out of 13 assignments used, quality = 1.00: * QD1 ILE 56 + HB ILE 56 OK 100 100 100 100 2.2-2.4 3.2=100 HG13 ILE 56 + HB ILE 56 OK 100 100 100 100 3.0-3.0 2.9=100 QG2 VAL 78 - HB ILE 56 far 0 97 0 - 3.8-4.1 QG1 VAL 58 - HB ILE 56 far 0 98 0 - 3.8-4.2 QD1 LEU 64 - HB ILE 56 far 0 70 0 - 4.3-5.0 QD1 ILE 8 - HB ILE 56 far 0 100 0 - 4.6-5.2 QG2 VAL 58 - HB ILE 56 far 0 73 0 - 5.1-5.8 QG1 VAL 78 - HB ILE 56 far 0 61 0 - 5.2-5.9 QG1 VAL 5 - HB ILE 56 far 0 93 0 - 6.2-6.7 QD1 LEU 42 - HB ILE 56 far 0 93 0 - 6.2-6.9 QD2 LEU 6 - HB ILE 56 far 0 91 0 - 6.9-7.1 HG3 ARG 81 - HB ILE 56 far 0 73 0 - 7.1-8.1 QD2 LEU 14 - HB ILE 56 far 0 100 0 - 9.6-10.1 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 4.2-4.3 4.4=100 H VAL 5 - HB ILE 56 far 0 99 0 - 9.4-9.6 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 3.8-3.8 4.0=100 H GLU 35 - QG2 ILE 56 far 0 97 0 - 8.4-9.2 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 2.2-2.3 3.2=100 HA THR 31 - QG2 ILE 56 far 0 99 0 - 6.7-7.1 HA ARG 30 - QG2 ILE 56 far 0 75 0 - 9.0-9.3 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 7 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 - 5.0-5.7 HB3 GLU 63 - QG2 ILE 56 far 0 96 0 - 5.8-6.0 HB2 LYS 66 - QG2 ILE 56 far 0 100 0 - 6.6-7.1 HD2 ARG 81 - QG2 ILE 56 far 0 61 0 - 7.8-9.4 HB3 LYS 82 - QG2 ILE 56 far 0 100 0 - 8.2-8.6 HB2 LYS 39 - QG2 ILE 56 far 0 68 0 - 8.3-9.4 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 12 assignments used, quality = 1.00: * HG12 ILE 56 + QG2 ILE 56 OK 100 100 100 100 3.2-3.2 3.2=100 HG LEU 6 - QG2 ILE 56 far 0 100 0 - 5.3-5.5 HG3 ARG 79 - QG2 ILE 56 far 0 100 0 - 5.9-8.7 HG LEU 57 - QG2 ILE 56 far 0 77 0 - 6.1-6.5 HB ILE 7 - QG2 ILE 56 far 0 99 0 - 6.3-6.6 HG2 ARG 79 - QG2 ILE 56 far 0 100 0 - 7.2-9.2 HG2 LYS 66 - QG2 ILE 56 far 0 57 0 - 7.8-8.3 HG3 LYS 66 - QG2 ILE 56 far 0 61 0 - 8.1-8.4 HD3 LYS 82 - QG2 ILE 56 far 0 68 0 - 8.6-9.3 HG3 ARG 30 - QG2 ILE 56 far 0 100 0 - 9.0-10.0 HG3 LYS 33 - QG2 ILE 56 far 0 82 0 - 9.1-9.5 HG2 LYS 33 - QG2 ILE 56 far 0 95 0 - 9.9-10.3 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 87 100 100 87 2.3-2.4 3.2=49, 2.1/2596=25...(13) QD1 ILE 56 + QG2 ILE 56 OK 85 100 100 85 1.9-2.1 3.0=56, 10682/9734=21...(13) QG1 VAL 58 + QG2 ILE 56 OK 70 100 100 70 2.1-2.3 10223/9734=22...(13) QD1 ILE 8 + QG2 ILE 56 OK 67 100 100 67 2.1-2.6 8313=29, 2.1/8312=15...(11) QG2 VAL 58 - QG2 ILE 56 far 0 59 0 - 3.7-4.2 QD1 LEU 64 - QG2 ILE 56 far 0 82 0 - 3.9-4.5 QG2 VAL 78 - QG2 ILE 56 far 0 100 0 - 4.4-4.6 QD2 LEU 6 - QG2 ILE 56 far 0 81 0 - 4.6-5.0 QD1 LEU 42 - QG2 ILE 56 far 0 84 0 - 4.8-5.3 QG1 VAL 78 - QG2 ILE 56 far 0 75 0 - 5.2-5.8 QG1 VAL 5 - QG2 ILE 56 far 0 98 0 - 5.2-5.6 HG3 ARG 81 - QG2 ILE 56 far 0 85 0 - 6.8-8.0 QD2 LEU 14 - QG2 ILE 56 far 0 100 0 - 7.0-7.4 QD1 LEU 14 - QG2 ILE 56 far 0 63 0 - 8.3-8.6 HG13 ILE 93 - QG2 ILE 56 far 0 79 0 - 8.6-9.2 QD1 ILE 52 - QG2 ILE 56 far 0 92 0 - 8.9-10.2 QG2 ILE 93 - QG2 ILE 56 far 0 65 0 - 9.0-9.4 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 88 100 100 88 2.3-2.4 3.2=50, 2.1/2596=26...(13) * QD1 ILE 56 + QG2 ILE 56 OK 86 100 100 86 1.9-2.1 3.0=58, 10682/9734=22...(13) QG1 VAL 58 + QG2 ILE 56 OK 69 98 100 70 2.1-2.3 10223/9734=22...(13) QD1 ILE 8 + QG2 ILE 56 OK 68 100 100 68 2.1-2.6 8313=30, 2.1/8312=16...(11) QG2 VAL 58 - QG2 ILE 56 far 0 73 0 - 3.7-4.2 QD1 LEU 64 - QG2 ILE 56 far 0 70 0 - 3.9-4.5 QG2 VAL 78 - QG2 ILE 56 far 0 97 0 - 4.4-4.6 QD2 LEU 6 - QG2 ILE 56 far 0 91 0 - 4.6-5.0 QD1 LEU 42 - QG2 ILE 56 far 0 93 0 - 4.8-5.3 QG1 VAL 78 - QG2 ILE 56 far 0 61 0 - 5.2-5.8 QG1 VAL 5 - QG2 ILE 56 far 0 93 0 - 5.2-5.6 HG3 ARG 81 - QG2 ILE 56 far 0 73 0 - 6.8-8.0 QD2 LEU 14 - QG2 ILE 56 far 0 100 0 - 7.0-7.4 QD1 LEU 14 - QG2 ILE 56 far 0 77 0 - 8.3-8.6 HG13 ILE 93 - QG2 ILE 56 far 0 65 0 - 8.6-9.2 QD1 ILE 52 - QG2 ILE 56 far 0 98 0 - 8.9-10.2 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 2.7-3.1 6932=100, 6930/3.2=63...(19) H VAL 5 - QG2 ILE 56 far 0 99 0 - 7.9-8.0 Violated in 0 structures by 0.00 A. Peak 2577 from cnoeabs.peaks (9.19, 1.53, 27.60 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 56 + HG12 ILE 56 OK 100 100 100 100 2.1-2.3 6924=100, 3.0/2557=78...(19) 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 2 assignments used, quality = 1.00: * HA ILE 56 + HG12 ILE 56 OK 100 100 100 100 2.9-3.1 3.9=100 HA THR 31 - HG12 ILE 56 far 0 99 0 - 9.6-10.2 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 2 assignments used, quality = 1.00: * HB ILE 56 + HG12 ILE 56 OK 100 100 100 100 2.5-2.6 2.9=100 HB VAL 78 + HG12 ILE 56 OK 92 95 100 97 2.5-3.2 9686=51, 3.0/9689=37...(11) 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 3.2-3.2 3.2=100 QD1 ILE 7 - HG12 ILE 56 far 0 91 0 - 9.2-9.9 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): 2 out of 15 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 far 0 100 0 - 3.1-3.6 QG1 VAL 78 - HG12 ILE 56 far 0 75 0 - 3.5-4.2 QD1 LEU 42 - HG12 ILE 56 far 0 84 0 - 5.2-5.8 QD1 ILE 8 - HG12 ILE 56 far 0 100 0 - 5.4-5.9 QG1 VAL 5 - HG12 ILE 56 far 0 98 0 - 5.6-6.3 QD2 LEU 6 - HG12 ILE 56 far 0 81 0 - 5.7-6.2 QG1 VAL 58 - HG12 ILE 56 far 0 100 0 - 5.7-5.9 QD1 LEU 64 - HG12 ILE 56 far 0 82 0 - 6.3-7.1 QG2 VAL 58 - HG12 ILE 56 far 0 59 0 - 7.2-7.8 QD1 ILE 52 - HG12 ILE 56 far 0 92 0 - 8.2-9.6 HG3 ARG 81 - HG12 ILE 56 far 0 85 0 - 8.4-10.0 QG2 ILE 93 - HG12 ILE 56 far 0 65 0 - 9.7-10.3 HG13 ILE 93 - HG12 ILE 56 far 0 79 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 2583 from cnoeabs.peaks (0.71, 1.53, 27.60 ppm; 2.89 A): 2 out of 14 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 poor 19 97 20 - 3.1-3.6 QG1 VAL 78 - HG12 ILE 56 far 0 61 0 - 3.5-4.2 QD1 LEU 42 - HG12 ILE 56 far 0 93 0 - 5.2-5.8 QD1 ILE 8 - HG12 ILE 56 far 0 100 0 - 5.4-5.9 QG1 VAL 5 - HG12 ILE 56 far 0 93 0 - 5.6-6.3 QD2 LEU 6 - HG12 ILE 56 far 0 91 0 - 5.7-6.2 QG1 VAL 58 - HG12 ILE 56 far 0 98 0 - 5.7-5.9 QD1 LEU 64 - HG12 ILE 56 far 0 70 0 - 6.3-7.1 QG2 VAL 58 - HG12 ILE 56 far 0 73 0 - 7.2-7.8 QD1 ILE 52 - HG12 ILE 56 far 0 98 0 - 8.2-9.6 HG3 ARG 81 - HG12 ILE 56 far 0 73 0 - 8.4-10.0 HG13 ILE 93 - HG12 ILE 56 far 0 65 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 2584 from cnoeabs.peaks (8.93, 1.53, 27.60 ppm; 5.24 A increased from 4.93 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 57 + HG12 ILE 56 OK 100 100 100 100 5.0-5.1 6932/3.2=93...(10) H VAL 5 - HG12 ILE 56 far 0 99 0 - 7.5-7.9 Violated in 0 structures by 0.00 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 3.4-3.7 6924/1.8=98, 4.9=95...(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 2.6-2.7 3.9=100 HA THR 31 - HG13 ILE 56 far 0 99 0 - 8.2-8.7 HA ARG 30 - HG13 ILE 56 far 0 75 0 - 9.8-10.1 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 5 assignments used, quality = 1.00: * HB ILE 56 + HG13 ILE 56 OK 100 100 100 100 3.0-3.0 2.9=100 HB VAL 78 + HG13 ILE 56 OK 87 95 95 96 4.0-4.7 9686/1.8=56, 2595/2.1=38...(9) HB2 LYS 66 - HG13 ILE 56 far 0 100 0 - 9.5-10.1 HB2 LYS 39 - HG13 ILE 56 far 0 68 0 - 9.6-10.7 HB3 GLU 63 - HG13 ILE 56 far 0 96 0 - 9.7-10.2 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 2.3-2.4 3.2=100 QD1 ILE 7 - HG13 ILE 56 far 0 91 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 2589 from cnoeabs.peaks (1.53, 0.71, 27.60 ppm; 3.25 A): 1 out of 7 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 far 0 100 0 - 4.2-4.8 HG3 ARG 79 - HG13 ILE 56 far 0 100 0 - 6.4-9.7 HG LEU 57 - HG13 ILE 56 far 0 77 0 - 8.1-8.6 HG2 ARG 79 - HG13 ILE 56 far 0 100 0 - 8.1-10.2 HB ILE 7 - HG13 ILE 56 far 0 99 0 - 8.3-8.5 HG3 ARG 30 - HG13 ILE 56 far 0 100 0 - 9.1-10.6 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 4.6-4.8 6932/3.2=92, 6930/3.9=88...(11) H VAL 5 - HG13 ILE 56 far 0 99 0 - 7.4-7.7 Violated in 0 structures by 0.00 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 3.5-3.6 6924/2.1=91, 5.0=77...(12) H GLU 35 - QD1 ILE 8 far 0 93 0 - 5.8-6.4 H ILE 56 - QD1 ILE 8 far 0 98 0 - 6.3-6.8 H GLU 35 - QD1 ILE 56 far 0 97 0 - 9.2-9.8 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 5 assignments used, quality = 1.00: * HA ILE 56 + QD1 ILE 56 OK 100 100 100 100 3.9-3.9 4.2=100 HA ILE 56 + QD1 ILE 8 OK 94 98 100 96 4.3-4.9 6930/2600=63, ~8312=42...(8) HA THR 31 - QD1 ILE 8 far 0 96 0 - 5.9-6.5 HA THR 31 - QD1 ILE 56 far 0 99 0 - 8.6-9.0 HA ARG 30 - QD1 ILE 8 far 0 70 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 2595 from cnoeabs.peaks (1.76, 0.71, 13.82 ppm; 3.37 A): 2 out of 16 assignments used, quality = 1.00: * HB ILE 56 + QD1 ILE 56 OK 100 100 100 100 2.2-2.4 3.2=100 HB VAL 78 + QD1 ILE 56 OK 78 95 100 83 2.5-3.3 9686/2.1=33, 2587/2.1=22...(9) HB3 GLU 63 - QD1 ILE 8 far 0 92 0 - 4.1-4.5 HB ILE 56 - QD1 ILE 8 far 0 98 0 - 4.6-5.2 HB2 LYS 66 - QD1 ILE 8 far 0 97 0 - 5.8-6.2 HB2 LYS 66 - QD1 ILE 56 far 0 100 0 - 6.6-7.2 HB2 LYS 39 - QD1 ILE 56 far 0 68 0 - 7.3-8.5 HB VAL 78 - QD1 ILE 8 far 0 90 0 - 7.5-8.2 HB2 LYS 39 - QD1 ILE 8 far 0 63 0 - 7.5-8.6 HG3 ARG 46 - QD1 ILE 56 far 0 87 0 - 7.9-10.5 HB3 GLU 63 - QD1 ILE 56 far 0 96 0 - 8.0-8.2 HD3 LYS 33 - QD1 ILE 8 far 0 55 0 - 8.2-9.0 HD2 LYS 33 - QD1 ILE 8 far 0 55 0 - 8.9-9.4 HB3 LYS 82 - QD1 ILE 8 far 0 98 0 - 9.0-9.5 HD2 ARG 81 - QD1 ILE 56 far 0 61 0 - 9.1-10.7 HD2 ARG 81 - QD1 ILE 8 far 0 57 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 2596 from cnoeabs.peaks (0.60, 0.71, 13.82 ppm; 2.92 A): 2 out of 4 assignments used, quality = 1.00: * QG2 ILE 56 + QD1 ILE 56 OK 98 100 100 98 1.9-2.1 3.0=90, 9734/10682=30...(14) QG2 ILE 56 + QD1 ILE 8 OK 75 98 100 77 2.1-2.6 8312/2.1=24...(12) QD1 ILE 7 - QD1 ILE 8 far 0 86 0 - 5.3-6.8 QD1 ILE 7 - QD1 ILE 56 far 0 91 0 - 8.2-9.1 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 22 assignments used, quality = 1.00: * HG12 ILE 56 + QD1 ILE 56 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 ARG 79 - QD1 ILE 56 far 0 100 0 - 5.2-7.6 HG LEU 6 - QD1 ILE 56 far 0 100 0 - 5.3-5.8 HG12 ILE 56 - QD1 ILE 8 far 0 98 0 - 5.4-5.9 HG LEU 6 - QD1 ILE 8 far 0 97 0 - 6.4-6.7 HG3 LYS 66 - QD1 ILE 8 far 0 57 0 - 6.6-7.1 HG3 LYS 33 - QD1 ILE 8 far 0 77 0 - 6.6-7.2 HG2 ARG 79 - QD1 ILE 56 far 0 100 0 - 6.7-8.4 HB ILE 7 - QD1 ILE 8 far 0 96 0 - 6.7-7.0 HG2 LYS 66 - QD1 ILE 8 far 0 53 0 - 6.9-7.5 HG2 LYS 33 - QD1 ILE 8 far 0 90 0 - 7.3-7.9 HG LEU 57 - QD1 ILE 8 far 0 72 0 - 7.5-8.1 HG LEU 57 - QD1 ILE 56 far 0 77 0 - 8.1-8.6 HG2 LYS 73 - QD1 ILE 56 far 0 59 0 - 8.2-8.8 HG2 LYS 66 - QD1 ILE 56 far 0 57 0 - 8.2-8.7 HG3 LYS 66 - QD1 ILE 56 far 0 61 0 - 8.5-8.9 HD3 LYS 82 - QD1 ILE 8 far 0 63 0 - 8.5-9.3 HB ILE 7 - QD1 ILE 56 far 0 99 0 - 8.7-8.9 HG3 ARG 79 - QD1 ILE 8 far 0 97 0 - 8.8-11.4 HG3 ARG 30 - QD1 ILE 56 far 0 100 0 - 9.1-10.5 HD3 LYS 53 - QD1 ILE 56 far 0 91 0 - 9.2-10.7 HG3 ARG 30 - QD1 ILE 8 far 0 98 0 - 9.3-10.3 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): 1 out of 4 assignments used, quality = 0.95: H LEU 57 + QD1 ILE 8 OK 95 98 100 98 4.1-4.8 10693/2.1=78...(6) ! H LEU 57 - QD1 ILE 56 far 0 100 0 - 5.3-5.4 H VAL 5 - QD1 ILE 56 far 0 99 0 - 7.9-8.2 H VAL 5 - QD1 ILE 8 far 0 95 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 2601 from cnoeabs.peaks (8.93, 5.39, 52.09 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 57 + HA LEU 57 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 2602 from cnoeabs.peaks (5.39, 5.39, 52.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 57 + HA LEU 57 OK 100 100 - 100 Peak 2603 from cnoeabs.peaks (1.20, 5.39, 52.09 ppm; 4.02 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 57 + HA LEU 57 OK 100 100 100 100 2.5-2.6 2.9=100 HB2 LEU 6 - HA LEU 57 far 0 96 0 - 6.7-7.0 QB ALA 18 - HA LEU 57 far 0 73 0 - 6.9-7.4 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 4 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 - 7.6-8.3 HB VAL 5 - HA LEU 57 far 0 63 0 - 8.7-9.3 HB ILE 93 - HA LEU 57 far 0 91 0 - 10.0-10.6 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 8 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 - 6.0-6.5 HG12 ILE 56 - HA LEU 57 far 0 77 0 - 6.5-6.5 HB ILE 7 - HA LEU 57 far 0 91 0 - 6.5-7.1 HG3 ARG 79 - HA LEU 57 far 0 70 0 - 6.6-9.6 HG2 ARG 79 - HA LEU 57 far 0 71 0 - 7.3-9.5 HG LEU 64 - HA LEU 57 far 0 91 0 - 7.5-8.1 HG LEU 6 - HA LEU 57 far 0 87 0 - 9.1-9.3 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 1.9-2.8 2.1/2642=72, 4.0=60...(14) QD1 LEU 57 + HA LEU 57 OK 72 73 100 99 1.9-2.7 2642=65, 9808/9797=31...(18) QG2 ILE 8 - HA LEU 57 far 0 99 0 - 6.4-6.9 QD2 LEU 38 - HA LEU 57 far 0 82 0 - 6.7-7.0 QD1 ILE 93 - HA LEU 57 far 0 84 0 - 6.8-7.8 QG2 ILE 7 - HA LEU 57 far 0 100 0 - 6.9-7.2 QG1 VAL 54 - HA LEU 57 far 0 70 0 - 7.1-7.6 QD1 LEU 6 - HA LEU 57 far 0 85 0 - 7.7-7.9 QG2 VAL 32 - HA LEU 57 far 0 65 0 - 7.9-8.3 QG2 ILE 15 - HA LEU 57 far 0 97 0 - 9.5-10.3 QD2 LEU 42 - HA LEU 57 far 0 79 0 - 9.6-9.9 QD1 ILE 15 - HA LEU 57 far 0 65 0 - 9.8-10.7 QD1 LEU 70 - HA LEU 57 far 0 92 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 2607 from cnoeabs.peaks (0.83, 5.39, 52.09 ppm; 3.36 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 57 + HA LEU 57 OK 100 100 100 100 1.9-2.7 2642=100, 2648/6945=45...(19) QD2 LEU 57 + HA LEU 57 OK 73 73 100 99 1.9-2.8 2.1/2642=71, 4.0=58...(14) QD2 LEU 64 - HA LEU 57 far 0 68 0 - 6.7-7.2 QD2 LEU 38 - HA LEU 57 far 0 100 0 - 6.7-7.0 QG2 ILE 7 - HA LEU 57 far 0 79 0 - 6.9-7.2 QG2 VAL 32 - HA LEU 57 far 0 100 0 - 7.9-8.3 QD1 LEU 38 - HA LEU 57 far 0 71 0 - 7.9-8.5 QD1 LEU 103 - HA LEU 57 far 0 63 0 - 9.3-21.9 QG2 ILE 15 - HA LEU 57 far 0 94 0 - 9.5-10.3 QD1 LEU 70 - HA LEU 57 far 0 98 0 - 9.9-10.8 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 2.1-2.1 6945=100, 2648/2642=38...(15) Violated in 0 structures by 0.00 A. Peak 2609 from cnoeabs.peaks (8.93, 1.20, 42.45 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 57 + HB2 LEU 57 OK 100 100 100 100 3.6-3.6 3.9=100 H ARG 19 - HB2 LEU 57 far 0 79 0 - 9.4-9.9 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 2.5-2.6 2.9=100 Violated in 0 structures by 0.00 A. Peak 2611 from cnoeabs.peaks (1.20, 1.20, 42.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 57 + HB2 LEU 57 OK 100 100 - 100 Peak 2612 from cnoeabs.peaks (1.82, 1.20, 42.45 ppm; 3.35 A): 1 out of 5 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 - 6.1-6.7 HB VAL 5 - HB2 LEU 57 far 0 63 0 - 8.1-8.7 HB ILE 93 - HB2 LEU 57 far 0 91 0 - 8.7-9.1 HB2 LYS 90 - HB2 LEU 57 far 0 98 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 2613 from cnoeabs.peaks (1.50, 1.20, 42.45 ppm; 4.18 A): 1 out of 9 assignments used, quality = 1.00: * HG LEU 57 + HB2 LEU 57 OK 100 100 100 100 2.4-2.7 3.0=100 HB ILE 7 - HB2 LEU 57 far 0 91 0 - 4.9-5.5 HB3 LEU 64 - HB2 LEU 57 far 0 99 0 - 8.0-8.4 HG12 ILE 56 - HB2 LEU 57 far 0 77 0 - 8.3-8.4 HG3 ARG 79 - HB2 LEU 57 far 0 70 0 - 8.4-11.7 HB2 LEU 14 - HB2 LEU 57 far 0 91 0 - 8.4-8.9 HG2 ARG 79 - HB2 LEU 57 far 0 71 0 - 9.0-11.3 HG LEU 6 - HB2 LEU 57 far 0 87 0 - 9.5-9.7 HG LEU 64 - HB2 LEU 57 far 0 91 0 - 9.9-10.4 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 11 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 2.2-2.4 3.1=100 QD1 ILE 93 - HB2 LEU 57 far 0 84 0 - 5.3-6.2 QG2 ILE 7 - HB2 LEU 57 far 0 100 0 - 5.5-5.9 QG2 ILE 8 - HB2 LEU 57 far 0 99 0 - 6.4-7.0 QD2 LEU 38 - HB2 LEU 57 far 0 82 0 - 7.5-7.9 QG2 ILE 15 - HB2 LEU 57 far 0 97 0 - 7.8-8.5 QG1 VAL 54 - HB2 LEU 57 far 0 70 0 - 8.1-8.5 QG2 VAL 32 - HB2 LEU 57 far 0 65 0 - 8.1-8.5 QD1 ILE 15 - HB2 LEU 57 far 0 65 0 - 8.2-9.1 QD1 LEU 6 - HB2 LEU 57 far 0 85 0 - 8.5-8.7 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 2.2-2.4 3.1=100 QD2 LEU 57 + HB2 LEU 57 OK 73 73 100 100 3.1-3.2 3.1=100 QG2 ILE 7 - HB2 LEU 57 far 0 79 0 - 5.5-5.9 QD2 LEU 38 - HB2 LEU 57 far 0 100 0 - 7.5-7.9 QG2 ILE 15 - HB2 LEU 57 far 0 94 0 - 7.8-8.5 QG2 VAL 32 - HB2 LEU 57 far 0 100 0 - 8.1-8.5 QD2 LEU 64 - HB2 LEU 57 far 0 68 0 - 8.4-8.9 QD1 LEU 38 - HB2 LEU 57 far 0 71 0 - 9.2-9.7 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 3.6-3.6 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 2.3-2.4 3.9=100 H VAL 5 - HB3 LEU 57 far 0 99 0 - 8.3-8.8 H ARG 19 - HB3 LEU 57 far 0 79 0 - 8.7-9.3 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 0 73 0 - 4.6-5.0 HB2 LEU 6 - HB3 LEU 57 far 0 96 0 - 6.0-6.2 HB2 LEU 29 - HB3 LEU 57 far 0 65 0 - 8.1-8.8 Violated in 0 structures by 0.00 A. Peak 2620 from cnoeabs.peaks (1.82, 1.82, 42.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 57 + HB3 LEU 57 OK 100 100 - 100 Peak 2621 from cnoeabs.peaks (1.50, 1.82, 42.45 ppm; 4.08 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 57 + HB3 LEU 57 OK 100 100 100 100 2.2-2.5 3.0=100 HB ILE 7 + HB3 LEU 57 OK 91 91 100 100 3.6-4.3 8277=62, 3.0/8272=61...(19) HG12 ILE 56 - HB3 LEU 57 far 0 77 0 - 7.1-7.4 HG3 ARG 79 - HB3 LEU 57 far 0 70 0 - 7.6-11.6 HG LEU 6 - HB3 LEU 57 far 0 87 0 - 7.8-8.1 HG2 ARG 79 - HB3 LEU 57 far 0 71 0 - 8.4-11.2 HB3 LEU 64 - HB3 LEU 57 far 0 99 0 - 8.7-9.1 HB2 LEU 14 - HB3 LEU 57 far 0 91 0 - 9.2-9.8 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 2.3-2.7 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 0 100 0 - 4.6-5.2 QD1 ILE 93 - HB3 LEU 57 far 0 84 0 - 4.9-5.6 QG2 ILE 8 - HB3 LEU 57 far 0 99 0 - 6.5-7.0 QD2 LEU 38 - HB3 LEU 57 far 0 82 0 - 6.6-7.1 QG1 VAL 54 - HB3 LEU 57 far 0 70 0 - 6.8-7.2 QG2 VAL 32 - HB3 LEU 57 far 0 65 0 - 7.1-7.5 QD1 LEU 6 - HB3 LEU 57 far 0 85 0 - 7.3-7.5 QG2 ILE 15 - HB3 LEU 57 far 0 97 0 - 7.3-8.1 QD1 ILE 15 - HB3 LEU 57 far 0 65 0 - 8.2-9.1 QD1 LEU 27 - HB3 LEU 57 far 0 82 0 - 8.9-9.4 QD2 LEU 42 - HB3 LEU 57 far 0 79 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 2623 from cnoeabs.peaks (0.83, 1.82, 42.45 ppm; 3.68 A): 2 out of 9 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 2.3-2.7 3.1=100 QG2 ILE 7 - HB3 LEU 57 far 0 79 0 - 4.6-5.2 QD2 LEU 38 - HB3 LEU 57 far 0 100 0 - 6.6-7.1 QG2 VAL 32 - HB3 LEU 57 far 0 100 0 - 7.1-7.5 QG2 ILE 15 - HB3 LEU 57 far 0 94 0 - 7.3-8.1 QD1 LEU 38 - HB3 LEU 57 far 0 71 0 - 8.3-8.8 QD2 LEU 64 - HB3 LEU 57 far 0 68 0 - 9.1-9.6 QD1 LEU 103 - HB3 LEU 57 far 0 63 0 - 9.9-22.1 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 4.4-4.5 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 4 assignments used, quality = 1.00: * H LEU 57 + HG LEU 57 OK 100 100 100 100 4.1-4.1 6939=100, 6940/2.1=94...(13) H VAL 5 - HG3 ARG 30 far 0 51 0 - 5.4-7.3 H VAL 5 - HG LEU 57 far 0 99 0 - 8.6-9.2 H ARG 19 - HG LEU 57 far 0 79 0 - 8.6-9.6 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): 1 out of 8 assignments used, quality = 1.00: * HB2 LEU 57 + HG LEU 57 OK 100 100 100 100 2.4-2.7 3.0=100 QB ALA 18 - HG LEU 57 poor 15 73 20 - 4.2-5.1 HB2 LEU 29 - HG3 ARG 30 far 0 28 0 - 6.1-8.0 HG2 LYS 40 - HG3 ARG 30 far 0 26 0 - 6.9-10.4 HB2 LEU 6 - HG3 ARG 30 far 0 47 0 - 7.2-8.3 HB2 LEU 6 - HG LEU 57 far 0 96 0 - 7.3-7.7 HB2 LEU 29 - HG LEU 57 far 0 65 0 - 8.1-8.8 QB ALA 18 - HG3 ARG 30 far 0 33 0 - 8.7-10.1 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 2.2-2.5 3.0=100 HB2 GLU 88 - HG LEU 57 far 0 96 0 - 6.3-7.2 HB ILE 93 - HG LEU 57 far 0 91 0 - 6.5-6.9 HB VAL 5 - HG LEU 57 far 0 63 0 - 6.5-7.1 HB VAL 5 - HG3 ARG 30 far 0 27 0 - 6.5-8.3 HB2 LYS 90 - HG LEU 57 far 0 98 0 - 8.7-9.2 HB3 LYS 90 - HG LEU 57 far 0 99 0 - 9.1-9.6 HB2 LEU 42 - HG3 ARG 30 far 0 47 0 - 9.5-11.6 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): 2 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 far 4 84 5 - 3.6-4.9 QD1 LEU 6 - HG3 ARG 30 far 0 40 0 - 4.9-6.3 QG2 VAL 32 - HG3 ARG 30 far 0 28 0 - 5.3-6.3 QG2 ILE 7 - HG LEU 57 far 0 100 0 - 6.0-6.6 QG1 VAL 54 - HG3 ARG 30 far 0 30 0 - 6.0-7.8 QD2 LEU 38 - HG3 ARG 30 far 0 38 0 - 6.7-8.3 QG2 ILE 7 - HG3 ARG 30 far 0 53 0 - 6.8-7.6 QG1 VAL 54 - HG LEU 57 far 0 70 0 - 7.3-7.7 QD2 LEU 42 - HG3 ARG 30 far 0 36 0 - 7.7-9.5 QG2 ILE 15 - HG3 ARG 30 far 0 49 0 - 7.8-9.1 QD1 LEU 27 - HG LEU 57 far 0 82 0 - 8.0-8.5 QG2 ILE 15 - HG LEU 57 far 0 97 0 - 8.2-9.1 QD2 LEU 38 - HG LEU 57 far 0 82 0 - 8.3-8.6 QG2 ILE 8 - HG LEU 57 far 0 99 0 - 8.3-8.8 QD1 LEU 6 - HG LEU 57 far 0 85 0 - 8.4-8.7 QG2 VAL 32 - HG LEU 57 far 0 65 0 - 8.9-9.1 QD1 ILE 93 - HG3 ARG 30 far 0 39 0 - 9.0-11.1 QD1 LEU 27 - HG3 ARG 30 far 0 38 0 - 9.0-11.0 QD2 LEU 57 - HG3 ARG 30 far 0 53 0 - 9.2-11.5 QD1 ILE 15 - HG LEU 57 far 0 65 0 - 9.5-10.4 QD1 ILE 76 - HG3 ARG 30 far 0 53 0 - 9.5-11.5 QG2 ILE 52 - HG3 ARG 30 far 0 47 0 - 9.8-11.7 QD1 ILE 15 - HG3 ARG 30 far 0 28 0 - 9.9-11.1 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 16 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 - 5.3-6.3 QG2 ILE 7 - HG LEU 57 far 0 79 0 - 6.0-6.6 QD2 LEU 38 - HG3 ARG 30 far 0 53 0 - 6.7-8.3 QG2 ILE 7 - HG3 ARG 30 far 0 36 0 - 6.8-7.6 QD1 LEU 38 - HG3 ARG 30 far 0 31 0 - 7.5-9.1 QG2 ILE 15 - HG3 ARG 30 far 0 46 0 - 7.8-9.1 QG2 ILE 15 - HG LEU 57 far 0 94 0 - 8.2-9.1 QD1 LEU 103 - HG LEU 57 far 0 63 0 - 8.2-21.0 QD2 LEU 38 - HG LEU 57 far 0 100 0 - 8.3-8.6 QG2 VAL 32 - HG LEU 57 far 0 100 0 - 8.9-9.1 QD2 LEU 57 - HG3 ARG 30 far 0 33 0 - 9.2-11.5 QD2 LEU 64 - HG LEU 57 far 0 68 0 - 9.4-10.0 QD1 ILE 76 - HG3 ARG 30 far 0 38 0 - 9.5-11.5 QD1 LEU 38 - HG LEU 57 far 0 71 0 - 9.6-10.1 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 5.5-5.5 2648/2.1=100...(9) Violated in 1 structures by 0.00 A. Peak 2633 from cnoeabs.peaks (8.93, 0.80, 25.48 ppm; 4.54 A): 1 out of 8 assignments used, quality = 1.00: * H LEU 57 + QD2 LEU 57 OK 100 100 100 100 2.3-2.9 6940=100, 6939/2.1=81...(15) H LEU 57 - QD2 LEU 38 far 3 64 5 - 4.8-5.2 H VAL 5 - QD1 LEU 6 far 0 64 0 - 5.1-5.5 H LEU 57 - QD1 LEU 6 far 0 68 0 - 5.5-5.7 H VAL 5 - QD2 LEU 57 far 0 99 0 - 5.9-7.7 H VAL 5 - QD2 LEU 38 far 0 61 0 - 7.5-8.0 H ARG 19 - QD2 LEU 57 far 0 79 0 - 8.0-9.9 H LEU 57 - QD1 LEU 70 far 0 61 0 - 8.9-9.9 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 1.9-2.8 4.0=100 HA LEU 57 - QD2 LEU 38 far 0 64 0 - 6.7-7.0 HA LEU 57 - QD1 LEU 6 far 0 68 0 - 7.7-7.9 HA LEU 57 - QD1 LEU 70 far 0 61 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 2635 from cnoeabs.peaks (1.20, 0.80, 25.48 ppm; 3.34 A): 3 out of 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 2.0-2.4 3.1=100 HB2 LEU 6 + QD2 LEU 38 OK 32 57 100 56 3.1-3.6 ~12070=23, 1.8/12071=12...(6) QB ALA 18 - QD2 LEU 57 far 0 73 0 - 4.4-5.9 HB2 LEU 6 - QD2 LEU 57 far 0 96 0 - 4.7-5.6 HB2 LEU 29 - QD2 LEU 57 far 0 65 0 - 6.4-8.4 QG2 THR 34 - QD2 LEU 38 far 0 53 0 - 6.5-7.0 HG2 LYS 40 - QD1 LEU 6 far 0 35 0 - 6.6-7.9 QG2 THR 34 - QD1 LEU 70 far 0 50 0 - 7.1-7.7 HG2 LYS 40 - QD2 LEU 38 far 0 32 0 - 7.5-8.7 HB2 LEU 6 - QD1 LEU 70 far 0 54 0 - 7.5-8.7 HB2 LEU 57 - QD2 LEU 38 far 0 64 0 - 7.5-7.9 HB2 LEU 29 - QD1 LEU 6 far 0 37 0 - 7.9-8.3 QB ALA 18 - QD2 LEU 38 far 0 40 0 - 8.1-8.6 QB ALA 18 - QD1 LEU 6 far 0 42 0 - 8.2-8.5 HB2 LEU 57 - QD1 LEU 6 far 0 68 0 - 8.5-8.7 QG2 THR 34 - QD1 LEU 6 far 0 56 0 - 8.6-9.1 HG2 LYS 40 - QD1 LEU 70 far 0 30 0 - 9.2-10.1 HB2 LEU 29 - QD2 LEU 38 far 0 35 0 - 9.5-10.0 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 34 assignments used, quality = 1.00: * HB3 LEU 57 + QD2 LEU 57 OK 100 100 100 100 2.3-2.7 3.1=100 HB3 LYS 66 + QD1 LEU 70 OK 28 32 100 87 3.4-3.8 1.8/9514=22...(16) HB3 LYS 39 + QD1 LEU 70 OK 20 30 75 88 2.8-5.3 ~10569=27, ~10822=24...(13) HB2 LYS 39 - QD1 LEU 70 poor 11 45 25 - 2.9-4.9 HB VAL 5 - QD2 LEU 57 far 0 63 0 - 4.4-6.5 HB2 LEU 42 - QD1 LEU 6 far 0 60 0 - 4.8-5.2 HB2 LEU 42 - QD1 LEU 70 far 0 54 0 - 5.5-6.4 HB ILE 93 - QD2 LEU 57 far 0 91 0 - 5.7-7.2 HB2 LEU 42 - QD2 LEU 38 far 0 57 0 - 5.8-6.2 HB3 LYS 66 - QD2 LEU 38 far 0 34 0 - 6.1-6.9 HB2 LYS 39 - QD2 LEU 38 far 0 47 0 - 6.2-6.7 HB3 LYS 39 - QD2 LEU 38 far 0 32 0 - 6.2-7.0 HB2 GLU 88 - QD2 LEU 57 far 0 96 0 - 6.4-7.1 HB VAL 5 - QD1 LEU 6 far 0 36 0 - 6.5-6.8 HB3 LEU 57 - QD2 LEU 38 far 0 64 0 - 6.6-7.1 HB2 LYS 39 - QD1 LEU 6 far 0 50 0 - 6.9-7.6 HB3 LYS 39 - QD1 LEU 6 far 0 35 0 - 6.9-7.6 HB3 LEU 57 - QD1 LEU 6 far 0 68 0 - 7.3-7.5 HB2 LYS 68 - QD1 LEU 70 far 0 56 0 - 7.4-8.0 HG3 ARG 46 - QD1 LEU 6 far 0 36 0 - 7.5-9.9 HB VAL 5 - QD2 LEU 38 far 0 34 0 - 8.0-8.5 HB2 LYS 53 - QD1 LEU 6 far 0 60 0 - 8.2-9.3 HG2 ARG 46 - QD1 LEU 6 far 0 68 0 - 8.2-10.5 HB2 LYS 53 - QD2 LEU 57 far 0 95 0 - 8.3-8.8 HB2 LYS 68 - QD2 LEU 38 far 0 59 0 - 8.5-9.1 HB2 LYS 90 - QD2 LEU 57 far 0 98 0 - 8.7-9.4 HB2 LYS 68 - QD2 LEU 57 far 0 97 0 - 8.7-10.0 HB3 LYS 66 - QD1 LEU 6 far 0 36 0 - 8.8-9.5 HB3 LYS 90 - QD2 LEU 57 far 0 99 0 - 8.9-9.7 HG3 ARG 46 - QD1 LEU 70 far 0 32 0 - 8.9-12.2 HB2 LYS 68 - QD1 LEU 6 far 0 62 0 - 9.2-9.7 HB2 GLU 104 - QD2 LEU 57 far 0 96 0 - 9.3-19.4 HG3 ARG 46 - QD2 LEU 38 far 0 34 0 - 9.4-12.1 HG2 ARG 46 - QD1 LEU 70 far 0 61 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 2637 from cnoeabs.peaks (1.50, 0.80, 25.48 ppm; 3.26 A): 2 out of 49 assignments used, quality = 1.00: * HG LEU 57 + QD2 LEU 57 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 6 + QD1 LEU 6 OK 53 53 100 100 2.1-2.1 2.1=100 HG12 ILE 56 - QD1 LEU 6 far 5 45 10 - 3.5-4.0 HG LEU 6 - QD2 LEU 38 far 0 49 0 - 4.1-4.7 HB ILE 7 - QD2 LEU 57 far 0 91 0 - 4.1-6.0 HG3 ARG 79 - QD2 LEU 57 far 0 70 0 - 4.2-7.6 HG12 ILE 56 - QD2 LEU 38 far 0 42 0 - 4.2-4.9 HG3 LYS 66 - QD1 LEU 70 far 0 59 0 - 4.3-4.6 HG2 ARG 79 - QD2 LEU 57 far 0 71 0 - 4.5-7.2 HG3 ARG 30 - QD1 LEU 6 far 0 46 0 - 4.9-6.3 HG2 LYS 66 - QD1 LEU 70 far 0 58 0 - 4.9-5.2 HG12 ILE 56 - QD2 LEU 57 far 0 77 0 - 5.1-5.2 HG2 LYS 73 - QD1 LEU 70 far 0 59 0 - 5.6-6.1 HG LEU 6 - QD2 LEU 57 far 0 87 0 - 6.0-7.3 HB3 LEU 64 - QD2 LEU 57 far 0 99 0 - 6.5-8.1 HG3 ARG 30 - QD2 LEU 38 far 0 44 0 - 6.7-8.3 HG3 LYS 33 - QD2 LEU 38 far 0 64 0 - 6.9-7.3 HB ILE 7 - QD2 LEU 38 far 0 53 0 - 6.9-7.3 HD3 LYS 40 - QD1 LEU 6 far 0 37 0 - 7.0-8.4 HG12 ILE 56 - QD1 LEU 70 far 0 40 0 - 7.1-8.2 HB ILE 7 - QD1 LEU 6 far 0 56 0 - 7.2-7.3 HD3 LYS 40 - QD2 LEU 38 far 0 35 0 - 7.2-9.0 HG LEU 64 - QD2 LEU 57 far 0 91 0 - 7.4-9.0 HD2 LYS 40 - QD2 LEU 38 far 0 34 0 - 7.4-9.0 HG3 ARG 79 - QD1 LEU 6 far 0 40 0 - 7.5-10.4 HD2 LYS 40 - QD1 LEU 6 far 0 36 0 - 7.6-8.9 HB3 LEU 64 - QD2 LEU 38 far 0 61 0 - 7.8-8.5 HG3 LYS 66 - QD2 LEU 38 far 0 62 0 - 7.9-8.5 HG2 LYS 66 - QD2 LEU 38 far 0 62 0 - 8.1-8.9 HB3 LEU 103 - QD2 LEU 57 far 0 90 0 - 8.2-19.3 HG LEU 64 - QD2 LEU 38 far 0 53 0 - 8.3-9.1 HG LEU 64 - QD1 LEU 70 far 0 50 0 - 8.3-8.6 HG LEU 57 - QD2 LEU 38 far 0 64 0 - 8.3-8.6 HG LEU 57 - QD1 LEU 6 far 0 68 0 - 8.4-8.7 HG3 ARG 79 - QD2 LEU 38 far 0 37 0 - 8.4-11.1 HG LEU 6 - QD1 LEU 70 far 0 47 0 - 8.5-9.7 HB3 LEU 64 - QD1 LEU 70 far 0 58 0 - 8.7-9.1 HG3 LYS 33 - QD1 LEU 6 far 0 68 0 - 8.7-9.2 HB2 ARG 91 - QD2 LEU 57 far 0 96 0 - 8.8-9.3 HD2 LYS 40 - QD1 LEU 70 far 0 32 0 - 8.9-10.2 HG2 ARG 79 - QD1 LEU 6 far 0 41 0 - 8.9-10.7 HG3 ARG 30 - QD2 LEU 57 far 0 79 0 - 9.2-11.5 HD3 LYS 40 - QD1 LEU 70 far 0 33 0 - 9.3-11.0 HG2 LYS 47 - QD1 LEU 6 far 0 65 0 - 9.5-10.7 HG2 LYS 53 - QD1 LEU 6 far 0 35 0 - 9.5-10.5 HB2 LEU 14 - QD2 LEU 57 far 0 91 0 - 9.6-10.3 HG2 LYS 73 - QD2 LEU 38 far 0 62 0 - 9.6-10.6 HG2 ARG 79 - QD2 LEU 38 far 0 39 0 - 9.9-11.6 HB3 LEU 64 - QD1 LEU 6 far 0 64 0 - 10.0-10.6 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 4 assignments used, quality = 1.00: * H VAL 58 + QD2 LEU 57 OK 100 100 100 100 3.7-4.6 2648/2.1=100...(9) H VAL 58 - QD2 LEU 38 far 0 64 0 - 6.7-7.1 H VAL 58 - QD1 LEU 6 far 0 68 0 - 8.4-8.6 H VAL 58 - QD1 LEU 70 far 0 61 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 2641 from cnoeabs.peaks (8.93, 0.83, 23.91 ppm; 4.59 A increased from 4.32 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 57 + QD1 LEU 57 OK 100 100 100 100 3.8-4.5 4.6=100 H VAL 5 - QD1 LEU 57 far 0 99 0 - 8.5-9.7 H ARG 19 - QD1 LEU 57 far 0 79 0 - 8.7-9.2 Violated in 0 structures by 0.00 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 1.9-2.7 4.0=48, 6945/2648=39...(20) 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 2.2-2.4 3.1=100 QB ALA 18 - QD1 LEU 57 far 0 73 0 - 4.8-5.2 HB2 LEU 6 - QD1 LEU 57 far 0 96 0 - 6.9-7.8 QG2 THR 34 - QD2 LEU 70 far 0 48 0 - 7.9-8.8 HB2 LEU 29 - QD1 LEU 57 far 0 65 0 - 8.7-9.3 HG2 LYS 40 - QD2 LEU 70 far 0 29 0 - 9.0-9.9 HB2 LEU 6 - QD2 LEU 70 far 0 52 0 - 9.8-10.5 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 15 assignments used, quality = 1.00: * HB3 LEU 57 + QD1 LEU 57 OK 100 100 100 100 3.1-3.2 3.1=100 HB2 GLU 88 + QD1 LEU 57 OK 31 96 35 91 3.8-4.9 9813/9808=41...(9) HB2 LYS 39 + QD2 LEU 70 OK 24 43 60 94 2.1-4.3 3.0/10569=40...(17) HB3 LYS 39 + QD2 LEU 70 OK 21 29 80 92 2.2-4.5 3.0/10569=40...(13) HB3 LYS 66 - QD2 LEU 70 far 0 30 0 - 5.4-6.1 HB2 LEU 42 - QD2 LEU 70 far 0 51 0 - 5.6-6.2 HB ILE 93 - QD1 LEU 57 far 0 91 0 - 6.5-6.8 HB VAL 5 - QD1 LEU 57 far 0 63 0 - 6.9-8.0 HB2 LYS 90 - QD1 LEU 57 far 0 98 0 - 7.2-7.9 HB3 LYS 90 - QD1 LEU 57 far 0 99 0 - 7.9-8.5 HG3 ARG 46 - QD2 LEU 70 far 0 30 0 - 8.2-11.6 HB2 LYS 68 - QD2 LEU 70 far 0 53 0 - 8.6-9.0 HG2 ARG 46 - QD2 LEU 70 far 0 58 0 - 9.1-11.5 HB2 LYS 53 - QD1 LEU 57 far 0 95 0 - 9.7-11.1 HB2 LYS 68 - QD1 LEU 57 far 0 97 0 - 10.0-11.0 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 17 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 far 0 56 0 - 3.5-4.0 HG3 LYS 66 - QD2 LEU 70 far 0 57 0 - 5.5-6.3 HB ILE 7 - QD1 LEU 57 far 0 91 0 - 5.8-6.2 HG2 LYS 66 - QD2 LEU 70 far 0 56 0 - 6.1-7.0 HG3 ARG 79 - QD1 LEU 57 far 0 70 0 - 6.5-8.7 HG2 ARG 79 - QD1 LEU 57 far 0 71 0 - 6.5-7.8 HG12 ILE 56 - QD1 LEU 57 far 0 77 0 - 6.6-7.7 HB3 LEU 64 - QD1 LEU 57 far 0 99 0 - 6.8-7.2 HB2 ARG 91 - QD1 LEU 57 far 0 96 0 - 7.2-7.7 HB2 LEU 14 - QD1 LEU 57 far 0 91 0 - 7.9-8.8 HG LEU 64 - QD1 LEU 57 far 0 91 0 - 8.1-8.5 HG LEU 6 - QD1 LEU 57 far 0 87 0 - 8.5-9.5 HD2 LYS 40 - QD2 LEU 70 far 0 30 0 - 9.1-10.4 HG12 ILE 56 - QD2 LEU 70 far 0 38 0 - 9.2-9.9 HB3 LEU 103 - QD1 LEU 57 far 0 90 0 - 9.4-20.9 HD3 LYS 40 - QD2 LEU 70 far 0 31 0 - 9.7-11.2 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 = 0.99: * H VAL 58 + QD1 LEU 57 OK 99 100 100 99 3.3-3.7 6945/2642=71, 6950=57...(10) 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 - 8.4-8.5 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 2.4-2.4 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 9 assignments used, quality = 1.00: * QG2 VAL 58 + HA VAL 58 OK 100 100 100 100 3.2-3.2 3.2=100 QD1 ILE 8 + HA VAL 58 OK 69 70 100 99 3.5-3.9 3.2/9374=54...(20) QD2 LEU 14 - HA VAL 58 far 0 71 0 - 4.9-5.4 QD1 LEU 14 - HA VAL 58 far 0 100 0 - 5.9-6.5 QD1 ILE 56 - HA VAL 58 far 0 73 0 - 7.3-7.5 HG13 ILE 56 - HA VAL 58 far 0 59 0 - 8.0-8.3 QD2 LEU 6 - HA VAL 58 far 0 99 0 - 8.3-8.6 QD1 LEU 29 - HA VAL 58 far 0 90 0 - 8.8-9.3 QD2 LEU 29 - HA VAL 58 far 0 71 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 2653 from cnoeabs.peaks (0.72, 5.25, 58.24 ppm; 3.21 A): 1 out of 12 assignments used, quality = 1.00: * QG1 VAL 58 + HA VAL 58 OK 100 100 100 100 2.4-2.5 3.2=100 QD1 ILE 8 - HA VAL 58 far 5 99 5 - 3.5-3.9 QD2 LEU 14 - HA VAL 58 far 0 98 0 - 4.9-5.4 QD1 LEU 64 - HA VAL 58 far 0 91 0 - 5.7-6.0 HG3 ARG 81 - HA VAL 58 far 0 93 0 - 7.2-10.4 QD1 ILE 56 - HA VAL 58 far 0 98 0 - 7.3-7.5 QD1 ILE 15 - HA VAL 58 far 0 59 0 - 7.5-8.6 QG1 VAL 5 - HA VAL 58 far 0 100 0 - 7.6-7.9 HG13 ILE 15 - HA VAL 58 far 0 70 0 - 7.9-8.9 HG13 ILE 56 - HA VAL 58 far 0 100 0 - 8.0-8.3 QD2 LEU 6 - HA VAL 58 far 0 70 0 - 8.3-8.6 QG2 VAL 78 - HA VAL 58 far 0 100 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 2654 from cnoeabs.peaks (8.80, 5.25, 58.24 ppm; 3.27 A): 2 out of 3 assignments used, quality = 1.00: * H SER 59 + HA VAL 58 OK 100 100 100 100 2.6-2.6 6958=100, 6959/3.0=50...(14) H ILE 8 + HA VAL 58 OK 96 100 100 96 3.0-3.3 8298=64, 6094/9374=41...(10) H ARG 81 - HA VAL 58 far 0 59 0 - 6.4-6.7 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 3.8-3.8 4.0=100 H ASP 61 - HB VAL 58 far 0 68 0 - 6.3-6.5 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 2.4-2.4 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): 2 out of 14 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 98 3.3-4.0 3.2/10701=34...(25) QD1 LEU 42 - HG3 MET 74 poor 15 61 25 - 2.5-5.3 QD2 LEU 14 - HB VAL 58 far 0 71 0 - 6.6-7.2 QD1 ILE 56 - HG3 MET 74 far 0 41 0 - 6.8-9.1 QD1 ILE 56 - HB VAL 58 far 0 73 0 - 7.3-7.5 QD1 LEU 14 - HB VAL 58 far 0 100 0 - 7.4-8.0 QG2 VAL 54 - HG3 MET 74 far 0 54 0 - 7.8-10.1 HG13 ILE 56 - HB VAL 58 far 0 59 0 - 8.6-8.9 QD2 LEU 6 - HB VAL 58 far 0 99 0 - 9.3-9.7 QD1 ILE 52 - HG3 MET 74 far 0 56 0 - 9.6-11.3 QD2 LEU 6 - HG3 MET 74 far 0 63 0 - 9.6-12.0 HG13 ILE 56 - HG3 MET 74 far 0 32 0 - 9.7-12.4 QD1 ILE 8 - HG3 MET 74 far 0 39 0 - 9.9-12.4 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 20 assignments used, quality = 1.00: * QG1 VAL 58 + HB VAL 58 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 8 + HB VAL 58 OK 43 99 45 97 3.3-4.0 3.2/10701=31...(25) QD1 LEU 42 - HG3 MET 74 poor 10 41 25 - 2.5-5.3 QD1 LEU 64 - HB VAL 58 far 0 91 0 - 4.9-5.3 QG1 VAL 78 - HG3 MET 74 far 0 50 0 - 6.2-8.1 QD2 LEU 14 - HB VAL 58 far 0 98 0 - 6.6-7.2 QG2 VAL 78 - HG3 MET 74 far 0 66 0 - 6.7-8.7 QD1 ILE 56 - HG3 MET 74 far 0 61 0 - 6.8-9.1 QD1 ILE 56 - HB VAL 58 far 0 98 0 - 7.3-7.5 HG3 ARG 81 - HB VAL 58 far 0 93 0 - 8.0-11.1 HG13 ILE 56 - HB VAL 58 far 0 100 0 - 8.6-8.9 QD1 ILE 15 - HB VAL 58 far 0 59 0 - 8.9-10.0 QG1 VAL 5 - HB VAL 58 far 0 100 0 - 9.2-9.6 QD2 LEU 6 - HB VAL 58 far 0 70 0 - 9.3-9.7 QD1 ILE 52 - HG3 MET 74 far 0 49 0 - 9.6-11.3 QG2 VAL 78 - HB VAL 58 far 0 100 0 - 9.6-9.8 QD2 LEU 6 - HG3 MET 74 far 0 39 0 - 9.6-12.0 HG13 ILE 56 - HG3 MET 74 far 0 65 0 - 9.7-12.4 QD1 ILE 8 - HG3 MET 74 far 0 63 0 - 9.9-12.4 HG13 ILE 15 - HB VAL 58 far 0 70 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 2660 from cnoeabs.peaks (8.80, 2.60, 33.16 ppm; 3.71 A): 1 out of 3 assignments used, quality = 1.00: * H SER 59 + HB VAL 58 OK 100 100 100 100 2.1-2.2 6959=100, 6960/2.1=71...(15) H ILE 8 - HB VAL 58 far 0 100 0 - 5.1-5.6 H ARG 81 - HB VAL 58 far 0 59 0 - 6.7-7.1 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 2.1-2.2 6953=100, 6954/2.1=70...(15) H ASP 61 - QG2 VAL 58 far 0 68 0 - 4.7-5.0 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): 1 out of 14 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 poor 19 91 25 85 2.3-2.8 3.1/9379=24...(19) QD1 ILE 8 - QG2 VAL 58 far 0 99 0 - 4.1-4.5 HG3 ARG 81 - QG2 VAL 58 far 0 93 0 - 5.1-7.7 QD1 ILE 56 - QG2 VAL 58 far 0 98 0 - 5.7-6.2 QD2 LEU 14 - QG2 VAL 58 far 0 98 0 - 6.2-6.7 HG13 ILE 56 - QG2 VAL 58 far 0 100 0 - 7.1-7.6 QG2 VAL 78 - QG2 VAL 58 far 0 100 0 - 7.1-7.8 QG1 VAL 5 - QG2 VAL 58 far 0 100 0 - 7.6-8.1 QD2 LEU 6 - QG2 VAL 58 far 0 70 0 - 8.5-8.9 QD1 LEU 42 - QG2 VAL 58 far 0 73 0 - 8.7-9.2 QG1 VAL 78 - QG2 VAL 58 far 0 85 0 - 8.7-9.7 QD1 ILE 15 - QG2 VAL 58 far 0 59 0 - 8.8-9.6 HG13 ILE 15 - QG2 VAL 58 far 0 70 0 - 9.7-10.4 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 2.6-3.1 6960=100, 6959/2.1=88...(17) H ARG 81 + QG2 VAL 58 OK 44 59 85 87 4.0-4.5 4.7/9755=38...(12) H ILE 8 - QG2 VAL 58 far 0 100 0 - 5.6-5.8 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 2.4-2.7 6954=100, 6953/2.1=84...(15) H ASP 61 - QG1 VAL 58 far 0 68 0 - 6.8-6.9 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 2.4-2.5 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 55 70 100 80 1.8-2.3 3.2/10224=22...(25) QD1 ILE 56 - QG1 VAL 58 far 0 73 0 - 4.4-4.6 HG13 ILE 56 - QG1 VAL 58 far 0 59 0 - 5.2-5.4 QD2 LEU 14 - QG1 VAL 58 far 0 71 0 - 6.1-6.6 QD2 LEU 6 - QG1 VAL 58 far 0 99 0 - 6.5-6.8 QD1 LEU 42 - QG1 VAL 58 far 0 98 0 - 7.0-7.4 QD1 LEU 14 - QG1 VAL 58 far 0 100 0 - 7.0-7.5 QD1 LEU 29 - QG1 VAL 58 far 0 90 0 - 8.2-8.6 QD2 LEU 29 - QG1 VAL 58 far 0 71 0 - 8.5-9.4 QG2 VAL 54 - QG1 VAL 58 far 0 91 0 - 8.7-8.9 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; 3.94 A increased from 3.71 A): 3 out of 3 assignments used, quality = 1.00: * H SER 59 + QG1 VAL 58 OK 100 100 100 100 3.6-3.7 6961=100, 6959/2.1=84...(14) H ILE 8 + QG1 VAL 58 OK 98 100 100 98 3.8-4.2 6094/10224=60...(12) H ARG 81 + QG1 VAL 58 OK 31 59 60 87 4.0-4.5 4.2/10223=48...(10) 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 - 6.8-7.1 H ARG 81 - HA SER 59 far 0 59 0 - 8.1-8.5 Violated in 0 structures by 0.00 A. Peak 2674 from cnoeabs.peaks (5.06, 5.06, 59.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 59 + HA SER 59 OK 100 100 - 100 Peak 2675 from cnoeabs.peaks (4.16, 5.06, 59.32 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 59 + HA SER 59 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 SER 85 - HA SER 59 far 0 73 0 - 9.2-9.5 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 2.3-3.0 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 3.2-3.4 3.6=100 H LEU 64 - HA SER 59 far 0 98 0 - 7.0-7.2 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 2.6-3.7 4.0=100 H ILE 8 - HB2 SER 59 far 0 100 0 - 5.7-7.9 H ARG 81 - HB2 SER 59 far 0 59 0 - 9.6-10.8 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 2.5-3.0 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 3.3-4.4 4.6=100 H LEU 64 - HB2 SER 59 far 0 98 0 - 7.7-8.6 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 2.5-3.4 4.0=100 H ILE 8 - HB3 SER 59 far 0 100 0 - 5.5-7.1 H ARG 81 - HB3 SER 59 far 0 59 0 - 9.4-10.6 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 2.3-3.0 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 - 8.7-10.7 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 - 7.7-8.8 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 0 98 0 - 5.4-5.6 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 2 assignments used, quality = 1.00: * HB2 ASN 60 + HA ASN 60 OK 100 100 100 100 3.0-3.0 3.0=100 HE3 LYS 82 - HA ASN 60 far 0 63 0 - 5.1-6.1 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 2.3-2.4 3.0=100 Violated in 0 structures by 0.00 A. Peak 2692 from cnoeabs.peaks (6.87, 4.81, 52.01 ppm; 4.82 A increased from 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 60 + HA ASN 60 OK 100 100 100 100 4.5-4.6 4.5=100 Violated in 0 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 2.4-2.4 3.6=100 H VAL 58 - HA ASN 60 far 0 68 0 - 7.6-7.8 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 2.9-3.0 4.0=100 H LEU 64 + HB2 ASN 60 OK 90 98 100 92 4.1-4.3 7011/9453=51...(6) 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 2 assignments used, quality = 1.00: * HA ASN 60 + HB2 ASN 60 OK 100 100 100 100 3.0-3.0 3.0=100 HA THR 34 - HB2 ASN 60 far 0 75 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 2697 from cnoeabs.peaks (2.89, 2.89, 40.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 60 + HB2 ASN 60 OK 100 100 - 100 Peak 2698 from cnoeabs.peaks (3.06, 2.89, 40.34 ppm; 2.90 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 60 + HB2 ASN 60 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2699 from cnoeabs.peaks (6.87, 2.89, 40.34 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 60 + HB2 ASN 60 OK 100 100 100 100 2.1-2.2 3.5=100 Violated in 0 structures by 0.00 A. Peak 2700 from cnoeabs.peaks (7.37, 2.89, 40.34 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 60 + HB2 ASN 60 OK 100 100 100 100 3.4-3.5 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 3.2-3.4 6992=100, 6993/1.8=91...(5) H VAL 58 - HB2 ASN 60 far 0 68 0 - 7.7-7.9 Violated in 0 structures by 0.00 A. Peak 2702 from cnoeabs.peaks (7.73, 3.06, 40.34 ppm; 4.59 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 60 + HB3 ASN 60 OK 100 100 100 100 3.8-3.9 4.0=100 H LEU 64 - HB3 ASN 60 far 0 98 0 - 5.3-5.6 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 1 assignment used, quality = 1.00: * HA ASN 60 + HB3 ASN 60 OK 100 100 100 100 2.3-2.4 3.0=100 Violated in 0 structures by 0.00 A. Peak 2704 from cnoeabs.peaks (2.89, 3.06, 40.34 ppm; 2.96 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASN 60 + HB3 ASN 60 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 82 - HB3 ASN 60 far 0 63 0 - 7.4-8.2 HE3 LYS 66 - HB3 ASN 60 far 0 99 0 - 9.5-13.0 HB2 ASN 10 - HB3 ASN 60 far 0 65 0 - 9.9-11.3 HE2 LYS 66 - HB3 ASN 60 far 0 100 0 - 10.0-12.3 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 2.9-3.2 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 3.8-3.9 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 2.5-2.6 6993=100, 6992/1.8=80...(4) H VAL 58 - HB3 ASN 60 far 0 68 0 - 8.9-9.1 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 - 7.6-8.1 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 2.5-2.9 3.0=100 HG3 GLU 63 - HA ASP 61 far 0 100 0 - 6.3-7.0 Violated in 0 structures by 0.00 A. Peak 2712 from cnoeabs.peaks (2.73, 4.37, 57.35 ppm; 3.64 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 61 + HA ASP 61 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 82 - HA ASP 61 far 0 100 0 - 4.1-5.3 HB2 ASP 65 - HA ASP 61 far 0 94 0 - 4.9-5.1 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 3.6-3.6 3.6=100 H GLU 63 + HA ASP 61 OK 84 91 95 98 4.6-4.8 7027/9470=67...(8) 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 3.2-3.6 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 2.5-2.9 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 HB2 ASP 65 - HB2 ASP 61 far 0 94 0 - 4.4-4.7 HE3 LYS 40 - HB2 ASP 36 far 0 55 0 - 5.0-10.3 HE2 LYS 82 - HB2 ASP 61 far 0 100 0 - 5.8-7.0 HE2 LYS 40 - HB3 ASP 36 far 0 57 0 - 5.9-9.0 HE3 LYS 40 - HB3 ASP 36 far 0 55 0 - 6.1-8.9 HE2 LYS 40 - HB2 ASP 36 far 0 57 0 - 6.5-10.0 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 2.7-3.5 7003=100, 7004/1.8=86...(7) H GLU 63 - HB2 ASP 61 far 0 91 0 - 5.2-5.8 Violated in 0 structures by 0.00 A. Peak 2719 from cnoeabs.peaks (8.58, 2.73, 40.38 ppm; 4.43 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 61 + HB3 ASP 61 OK 100 100 100 100 2.1-2.8 4.0=100 H ASP 61 - HB2 ASP 65 far 0 76 0 - 6.5-6.9 H VAL 58 - HB3 ASP 61 far 0 68 0 - 9.7-10.6 H VAL 58 - HB2 ASP 65 far 0 44 0 - 10.0-10.3 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 2.4-3.0 3.0=100 HA ASP 61 - HB2 ASP 65 far 0 76 0 - 4.9-5.1 HA ARG 81 - HB2 ASP 65 far 0 76 0 - 9.8-10.6 HA ARG 81 - HB3 ASP 61 far 0 100 0 - 10.0-11.8 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 - 4.4-4.7 HG3 GLU 63 - HB3 ASP 61 far 0 100 0 - 6.9-8.3 HG3 GLU 63 - HB2 ASP 65 far 0 75 0 - 7.6-8.1 HG3 GLN 72 - HB2 ASP 65 far 0 54 0 - 9.9-10.6 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): 1 out of 4 assignments used, quality = 1.00: * H GLU 62 + HB3 ASP 61 OK 100 100 100 100 2.4-3.9 7004=100, 7003/1.8=93...(9) H GLU 62 - HB2 ASP 65 far 0 76 0 - 4.7-5.1 H GLU 63 - HB3 ASP 61 far 0 91 0 - 5.1-6.1 H GLU 63 - HB2 ASP 65 far 0 64 0 - 5.3-5.6 Violated in 0 structures by 0.00 A. Peak 2724 from cnoeabs.peaks (8.40, 4.12, 59.59 ppm; 3.69 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 62 + HA GLU 62 OK 100 100 100 100 2.8-2.8 3.0=100 H GLU 63 + HA GLU 62 OK 91 91 100 100 3.6-3.6 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 1 assignment used, quality = 1.00: * HB2 GLU 62 + HA GLU 62 OK 100 100 100 100 2.7-3.0 3.0=100 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 2.6-3.0 3.0=100 HB2 LEU 64 - HA GLU 62 far 0 87 0 - 5.0-5.1 HG2 GLU 69 - HA GLU 62 far 0 61 0 - 6.8-7.5 HB2 GLU 69 - HA GLU 62 far 0 61 0 - 7.6-7.9 HB3 GLU 35 - HA GLU 62 far 0 99 0 - 8.6-10.2 HB3 GLU 69 - HA GLU 62 far 0 61 0 - 9.0-9.3 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 2.1-3.5 4.0=68, 1.8/2749=39...(19) HG3 GLU 62 + HA GLU 62 OK 97 100 100 97 2.2-3.5 4.0=68, 1.8/2749=40...(12) HG2 GLU 63 - HA GLU 62 far 0 73 0 - 5.7-7.3 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 2.1-3.5 4.0=68, 1.8/2749=39...(19) * HG3 GLU 62 + HA GLU 62 OK 97 100 100 97 2.2-3.5 4.0=68, 1.8/2749=40...(12) HG2 GLU 63 - HA GLU 62 far 0 73 0 - 5.7-7.3 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 3.6-3.6 3.6=100 H GLU 62 + HA GLU 62 OK 91 91 100 100 2.8-2.8 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 3.2-3.4 7044=100, 7064/7060=71...(9) H GLU 69 - HA GLU 62 far 0 94 0 - 7.9-8.0 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 2.5-3.0 2858=99, 1.8/2864=79...(5) HB3 ASP 61 + HA GLU 62 OK 22 94 25 94 4.2-5.6 7004/3.0=59...(6) HE2 LYS 82 - HA GLU 62 far 0 87 0 - 8.8-10.1 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 3.2-3.7 2864=100, 1.8/2858=87...(4) 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 2.8-3.5 4.0=100 H GLU 63 + HB2 GLU 62 OK 90 91 100 99 2.3-3.1 7015=87, 7016/1.8=73...(8) 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 - 7.8-8.3 HA LYS 47 - HB2 GLU 44 far 0 69 0 - 8.0-8.4 HB2 SER 59 - HB2 GLU 62 far 0 63 0 - 8.7-10.7 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 13 assignments used, quality = 1.00: * HB3 GLU 62 + HB2 GLU 62 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 43 - HB3 GLU 44 far 0 66 0 - 4.1-4.5 HB3 GLU 43 - HB2 GLU 44 far 0 66 0 - 4.5-4.9 HB2 LEU 64 - HB2 GLU 62 far 0 87 0 - 6.5-6.8 HB3 GLU 35 - HB2 GLU 62 far 0 99 0 - 7.2-8.8 HG2 GLU 28 - HB2 GLU 44 far 0 65 0 - 8.1-10.4 HG3 GLU 28 - HB2 GLU 44 far 0 65 0 - 8.5-10.5 HB2 GLU 69 - HB2 GLU 62 far 0 61 0 - 8.7-9.5 HG2 GLU 69 - HB2 GLU 62 far 0 61 0 - 8.8-9.8 HG2 GLU 28 - HB3 GLU 44 far 0 65 0 - 8.8-11.3 HG3 GLU 28 - HB3 GLU 44 far 0 65 0 - 9.3-11.3 HB3 GLU 37 - HB2 GLU 44 far 0 46 0 - 9.7-10.2 HB2 MET 74 - HB2 GLU 44 far 0 64 0 - 9.8-11.0 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: HG3 GLU 62 + HB2 GLU 62 OK 100 100 100 100 2.2-3.0 2.9=100 * HG2 GLU 62 + HB2 GLU 62 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 GLU 63 - HB2 GLU 62 far 4 73 5 - 3.5-5.9 HB2 TYR 4 - HB2 GLU 44 far 0 61 0 - 7.5-8.7 HB2 GLU 48 - HB2 GLU 44 far 0 50 0 - 8.7-10.2 HB2 TYR 4 - HB3 GLU 44 far 0 61 0 - 9.2-10.3 HB2 GLU 48 - HB3 GLU 44 far 0 50 0 - 9.4-10.8 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: * HG3 GLU 62 + HB2 GLU 62 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 GLU 62 + HB2 GLU 62 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 GLU 63 - HB2 GLU 62 far 4 73 5 - 3.5-5.9 HB2 TYR 4 - HB2 GLU 44 far 0 61 0 - 7.5-8.7 HB2 GLU 48 - HB2 GLU 44 far 0 50 0 - 8.7-10.2 HB2 TYR 4 - HB3 GLU 44 far 0 61 0 - 9.2-10.3 HB2 GLU 48 - HB3 GLU 44 far 0 50 0 - 9.4-10.8 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 2 assignments used, quality = 1.00: * H GLU 63 + HB2 GLU 62 OK 100 100 100 100 2.3-3.1 7015=100, 7016/1.8=89...(8) H GLU 62 + HB2 GLU 62 OK 91 91 100 100 2.8-3.5 4.0=100 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 2.1-2.2 7007=100, 7006/1.8=87...(13) H GLU 63 + HB3 GLU 62 OK 90 91 100 99 2.7-3.5 7016=87, 7015/1.8=71...(6) 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 2.6-3.0 3.0=100 HB2 SER 59 - HB3 GLU 62 far 0 63 0 - 8.7-10.9 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 1 assignment used, quality = 1.00: * HB2 GLU 62 + HB3 GLU 62 OK 100 100 100 100 1.8-1.8 1.8=100 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 2.6-3.0 2.9=100 HG2 GLU 63 - HB3 GLU 62 far 0 73 0 - 4.3-6.9 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 2.6-3.0 2.9=100 HG2 GLU 63 - HB3 GLU 62 far 0 73 0 - 4.3-6.9 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 100 100 100 100 2.7-3.5 7016=100, 7015/1.8=87...(6) H GLU 62 + HB3 GLU 62 OK 91 91 100 100 2.1-2.2 4.0=100 Violated in 0 structures by 0.00 A. Peak 2748 from cnoeabs.peaks (8.40, 2.26, 36.63 ppm; 4.37 A increased from 3.68 A): 3 out of 4 assignments used, quality = 1.00: H GLU 62 + HG3 GLU 62 OK 100 100 100 100 2.9-4.6 7007/2.9=87, 7006/2.9=78...(10) * H GLU 62 + HG2 GLU 62 OK 100 100 100 100 3.8-4.6 7007/2.9=87, 7006/2.9=78...(10) H GLU 63 + HG2 GLU 62 OK 64 91 75 94 4.1-5.0 7016/2.9=66, 7015/2.9=65...(4) H GLU 63 - HG3 GLU 62 far 5 91 5 - 4.7-5.0 Violated in 0 structures by 0.00 A. Peak 2749 from cnoeabs.peaks (4.12, 2.26, 36.63 ppm; 3.22 A): 2 out of 5 assignments used, quality = 0.99: * HA GLU 62 + HG2 GLU 62 OK 91 100 95 95 2.1-3.5 4.0=54, 2728/1.8=31...(19) HA GLU 62 + HG3 GLU 62 OK 88 100 95 92 2.2-3.5 4.0=54, 2728/1.8=31...(12) HA GLU 23 - HG2 GLU 23 far 2 41 5 - 3.5-3.8 HA LYS 24 - HG2 GLU 23 far 0 46 0 - 6.2-6.6 HA GLU 99 - HG2 GLU 95 far 0 93 0 - 6.4-9.5 Violated in 0 structures by 0.00 A. Peak 2750 from cnoeabs.peaks (2.02, 2.26, 36.63 ppm; 3.06 A): 3 out of 16 assignments used, quality = 1.00: HB2 GLU 62 + HG3 GLU 62 OK 100 100 100 100 2.2-3.0 2.9=100 * HB2 GLU 62 + HG2 GLU 62 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 GLU 37 + HG2 GLU 37 OK 37 37 100 100 2.3-3.0 3.0=100 HB2 GLU 98 - HG2 GLU 95 far 0 68 0 - 4.4-6.8 HB2 GLU 99 - HG2 GLU 95 far 0 70 0 - 4.5-9.3 HB3 LYS 94 - HG2 GLU 95 far 0 91 0 - 5.0-7.4 HB3 GLU 99 - HG2 GLU 95 far 0 78 0 - 5.7-9.1 HB3 GLU 98 - HG2 GLU 95 far 0 70 0 - 5.8-8.5 HB2 MET 21 - HG2 GLU 23 far 0 30 0 - 6.6-7.6 HB2 GLU 35 - HG2 GLU 37 far 0 70 0 - 6.7-8.8 HG12 ILE 93 - HG2 GLU 95 far 0 78 0 - 7.1-10.7 HB2 GLU 35 - HG2 GLU 62 far 0 99 0 - 8.3-11.5 HG12 ILE 93 - HG2 GLU 23 far 0 44 0 - 8.5-10.0 HB2 GLU 35 - HG3 GLU 62 far 0 99 0 - 9.2-12.9 QE MET 74 - HG2 GLU 37 far 0 67 0 - 9.4-10.7 HB2 MET 21 - HG2 GLU 95 far 0 57 0 - 9.5-12.2 Violated in 0 structures by 0.00 A. Peak 2751 from cnoeabs.peaks (2.09, 2.26, 36.63 ppm; 2.54 A): 4 out of 26 assignments used, quality = 0.95: HB3 GLU 62 + HG3 GLU 62 OK 74 100 90 83 2.3-3.0 2.9=66, 3.0/2756=15...(8) HG3 GLU 37 + HG2 GLU 37 OK 60 60 100 100 1.8-1.8 1.8=100 HB3 GLU 37 + HG2 GLU 37 OK 31 39 90 89 2.3-2.9 3.0=60, 3.0/1581=24...(12) HB2 GLU 23 + HG2 GLU 23 OK 25 55 50 91 2.7-3.0 2.9=68, 3.0/1016=23...(11) ! HB3 GLU 62 - HG2 GLU 62 far 15 100 15 - 2.6-3.0 HB3 LEU 38 - HG2 GLU 37 far 0 65 0 - 5.6-7.8 QE MET 21 - HG2 GLU 95 far 0 90 0 - 6.1-8.0 HB2 MET 21 - HG2 GLU 23 far 0 27 0 - 6.6-7.6 HB3 GLU 35 - HG2 GLU 62 far 0 99 0 - 6.8-10.1 QE MET 21 - HG2 GLU 23 far 0 53 0 - 6.8-7.6 HB2 LEU 64 - HG3 GLU 62 far 0 87 0 - 7.0-8.3 HG2 GLU 69 - HG3 GLU 62 far 0 61 0 - 7.0-10.2 HB2 LEU 64 - HG2 GLU 62 far 0 87 0 - 7.1-8.3 HB3 GLU 35 - HG2 GLU 37 far 0 70 0 - 7.1-9.4 HG2 GLU 69 - HG2 GLU 62 far 0 61 0 - 7.2-9.6 HB2 GLU 69 - HG3 GLU 62 far 0 61 0 - 7.6-10.0 HB2 GLU 69 - HG2 GLU 62 far 0 61 0 - 7.6-9.8 HB3 GLU 35 - HG3 GLU 62 far 0 99 0 - 7.7-11.5 HB3 GLU 88 - HG2 GLU 95 far 0 89 0 - 8.1-10.7 HB3 GLU 69 - HG3 GLU 62 far 0 61 0 - 8.7-11.2 HG3 GLU 28 - HG2 GLU 23 far 0 41 0 - 8.8-11.2 HB3 GLU 69 - HG2 GLU 62 far 0 61 0 - 8.8-10.9 HB2 GLU 16 - HG2 GLU 23 far 0 51 0 - 9.0-9.9 HG2 GLU 28 - HG2 GLU 23 far 0 41 0 - 9.2-11.6 HB2 MET 21 - HG2 GLU 95 far 0 52 0 - 9.5-12.2 HB3 GLU 43 - HG2 GLU 37 far 0 56 0 - 9.9-12.1 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; 3.87 A increased from 3.65 A): 2 out of 6 assignments used, quality = 0.94: H GLU 62 + HG3 GLU 62 OK 76 91 85 99 2.9-4.6 7007/2.9=66, 7006/2.9=57...(10) H GLU 95 + HG2 GLU 95 OK 76 76 100 100 2.4-3.8 7541=81, 7542/1.8=67...(14) H GLU 62 - HG2 GLU 62 far 14 91 15 - 3.8-4.6 ! H GLU 63 - HG2 GLU 62 far 5 100 5 - 4.1-5.0 H ILE 93 - HG2 GLU 95 far 4 80 5 - 4.1-7.5 H GLU 63 - HG3 GLU 62 far 0 100 0 - 4.7-5.0 Violated in 0 structures by 0.00 A. Peak 2755 from cnoeabs.peaks (8.40, 2.26, 36.63 ppm; 4.37 A increased from 3.68 A): 3 out of 4 assignments used, quality = 1.00: * H GLU 62 + HG3 GLU 62 OK 100 100 100 100 2.9-4.6 7007/2.9=87, 7006/2.9=78...(10) H GLU 62 + HG2 GLU 62 OK 100 100 100 100 3.8-4.6 7007/2.9=87, 7006/2.9=78...(10) H GLU 63 + HG2 GLU 62 OK 64 91 75 94 4.1-5.0 7016/2.9=66, 7015/2.9=65...(4) H GLU 63 - HG3 GLU 62 far 5 91 5 - 4.7-5.0 Violated in 0 structures by 0.00 A. Peak 2756 from cnoeabs.peaks (4.12, 2.26, 36.63 ppm; 3.22 A): 2 out of 5 assignments used, quality = 0.99: HA GLU 62 + HG2 GLU 62 OK 91 100 95 95 2.1-3.5 4.0=54, 2728/1.8=31...(19) * HA GLU 62 + HG3 GLU 62 OK 88 100 95 92 2.2-3.5 4.0=54, 2728/1.8=31...(12) HA GLU 23 - HG2 GLU 23 far 2 41 5 - 3.5-3.8 HA LYS 24 - HG2 GLU 23 far 0 46 0 - 6.2-6.6 HA GLU 99 - HG2 GLU 95 far 0 93 0 - 6.4-9.5 Violated in 0 structures by 0.00 A. Peak 2757 from cnoeabs.peaks (2.02, 2.26, 36.63 ppm; 3.06 A): 3 out of 16 assignments used, quality = 1.00: * HB2 GLU 62 + HG3 GLU 62 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 GLU 62 + HG2 GLU 62 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 GLU 37 + HG2 GLU 37 OK 37 37 100 100 2.3-3.0 3.0=100 HB2 GLU 98 - HG2 GLU 95 far 0 68 0 - 4.4-6.8 HB2 GLU 99 - HG2 GLU 95 far 0 70 0 - 4.5-9.3 HB3 LYS 94 - HG2 GLU 95 far 0 91 0 - 5.0-7.4 HB3 GLU 99 - HG2 GLU 95 far 0 78 0 - 5.7-9.1 HB3 GLU 98 - HG2 GLU 95 far 0 70 0 - 5.8-8.5 HB2 MET 21 - HG2 GLU 23 far 0 30 0 - 6.6-7.6 HB2 GLU 35 - HG2 GLU 37 far 0 70 0 - 6.7-8.8 HG12 ILE 93 - HG2 GLU 95 far 0 78 0 - 7.1-10.7 HB2 GLU 35 - HG2 GLU 62 far 0 99 0 - 8.3-11.5 HG12 ILE 93 - HG2 GLU 23 far 0 44 0 - 8.5-10.0 HB2 GLU 35 - HG3 GLU 62 far 0 99 0 - 9.2-12.9 QE MET 74 - HG2 GLU 37 far 0 67 0 - 9.4-10.7 HB2 MET 21 - HG2 GLU 95 far 0 57 0 - 9.5-12.2 Violated in 0 structures by 0.00 A. Peak 2758 from cnoeabs.peaks (2.09, 2.26, 36.63 ppm; 2.54 A): 4 out of 26 assignments used, quality = 0.95: * HB3 GLU 62 + HG3 GLU 62 OK 74 100 90 83 2.3-3.0 2.9=66, 3.0/2756=15...(8) HG3 GLU 37 + HG2 GLU 37 OK 60 60 100 100 1.8-1.8 1.8=100 HB3 GLU 37 + HG2 GLU 37 OK 31 39 90 89 2.3-2.9 3.0=60, 3.0/1581=24...(12) HB2 GLU 23 + HG2 GLU 23 OK 25 55 50 91 2.7-3.0 2.9=68, 3.0/1016=23...(11) HB3 GLU 62 - HG2 GLU 62 far 15 100 15 - 2.6-3.0 HB3 LEU 38 - HG2 GLU 37 far 0 65 0 - 5.6-7.8 QE MET 21 - HG2 GLU 95 far 0 90 0 - 6.1-8.0 HB2 MET 21 - HG2 GLU 23 far 0 27 0 - 6.6-7.6 HB3 GLU 35 - HG2 GLU 62 far 0 99 0 - 6.8-10.1 QE MET 21 - HG2 GLU 23 far 0 53 0 - 6.8-7.6 HB2 LEU 64 - HG3 GLU 62 far 0 87 0 - 7.0-8.3 HG2 GLU 69 - HG3 GLU 62 far 0 61 0 - 7.0-10.2 HB2 LEU 64 - HG2 GLU 62 far 0 87 0 - 7.1-8.3 HB3 GLU 35 - HG2 GLU 37 far 0 70 0 - 7.1-9.4 HG2 GLU 69 - HG2 GLU 62 far 0 61 0 - 7.2-9.6 HB2 GLU 69 - HG3 GLU 62 far 0 61 0 - 7.6-10.0 HB2 GLU 69 - HG2 GLU 62 far 0 61 0 - 7.6-9.8 HB3 GLU 35 - HG3 GLU 62 far 0 99 0 - 7.7-11.5 HB3 GLU 88 - HG2 GLU 95 far 0 89 0 - 8.1-10.7 HB3 GLU 69 - HG3 GLU 62 far 0 61 0 - 8.7-11.2 HG3 GLU 28 - HG2 GLU 23 far 0 41 0 - 8.8-11.2 HB3 GLU 69 - HG2 GLU 62 far 0 61 0 - 8.8-10.9 HB2 GLU 16 - HG2 GLU 23 far 0 51 0 - 9.0-9.9 HG2 GLU 28 - HG2 GLU 23 far 0 41 0 - 9.2-11.6 HB2 MET 21 - HG2 GLU 95 far 0 52 0 - 9.5-12.2 HB3 GLU 43 - HG2 GLU 37 far 0 56 0 - 9.9-12.1 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; 3.87 A increased from 3.65 A): 2 out of 6 assignments used, quality = 0.94: H GLU 62 + HG3 GLU 62 OK 76 91 85 99 2.9-4.6 7007/2.9=66, 7006/2.9=57...(10) H GLU 95 + HG2 GLU 95 OK 76 76 100 100 2.4-3.8 7541=81, 7542/1.8=67...(14) H GLU 62 - HG2 GLU 62 far 14 91 15 - 3.8-4.6 H GLU 63 - HG2 GLU 62 far 5 100 5 - 4.1-5.0 H ILE 93 - HG2 GLU 95 far 4 80 5 - 4.1-7.5 ! H GLU 63 - HG3 GLU 62 far 0 100 0 - 4.7-5.0 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 2.8-2.8 2.9=100 H GLU 62 - HA GLU 63 far 0 91 0 - 5.3-5.4 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 2.5-2.6 3.0=100 HG3 GLU 35 - HA GLU 63 far 0 100 0 - 6.1-8.6 HG2 GLU 35 - HA GLU 63 far 0 100 0 - 6.6-9.4 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 3 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 0 98 0 - 4.5-4.9 HB ILE 56 - HA GLU 63 far 0 96 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 2766 from cnoeabs.peaks (2.29, 3.91, 58.27 ppm; 3.83 A increased from 3.60 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 63 + HA GLU 63 OK 100 100 100 100 2.4-3.7 3.8=98, 1.8/2767=75...(16) HG2 GLU 62 - HA GLU 63 far 0 73 0 - 4.3-6.2 HG3 GLU 62 - HA GLU 63 far 0 73 0 - 5.4-6.6 Violated in 0 structures by 0.00 A. Peak 2767 from cnoeabs.peaks (2.52, 3.91, 58.27 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 63 + HA GLU 63 OK 100 100 100 100 2.9-3.6 3.8=96, 1.8/2766=73...(17) HB2 ASP 61 - HA GLU 63 far 0 100 0 - 7.5-8.0 Violated in 0 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 3.5-3.5 3.6=100 H ASN 60 - HA GLU 63 far 0 98 0 - 5.5-5.7 H GLU 37 - HA GLU 63 far 0 87 0 - 9.8-10.9 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 3.8-4.1 7061=99, 7070/2771=67...(10) H SER 9 - HA GLU 63 far 0 99 0 - 9.2-9.5 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 3 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 0 100 0 - 4.5-4.9 HB ILE 56 - HA GLU 63 far 0 100 0 - 8.2-8.7 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 2.9-3.3 2896=77, 7070/2769=50...(10) HB ILE 8 - HA GLU 63 far 0 70 0 - 5.7-6.2 HB3 LYS 68 - HA GLU 63 far 0 99 0 - 8.5-8.9 HB2 LYS 68 - HA GLU 63 far 0 88 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 2772 from cnoeabs.peaks (8.38, 2.20, 29.93 ppm; 3.73 A increased from 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=70...(14) H GLU 62 - HB2 GLU 63 far 0 91 0 - 6.2-6.3 Violated in 0 structures by 0.00 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 2.5-2.6 3.0=100 HA GLU 35 - HB2 GLU 63 far 0 82 0 - 7.3-8.5 HB3 SER 9 - HB2 GLU 63 far 0 98 0 - 7.7-9.4 HA LEU 38 - HB2 GLU 63 far 0 57 0 - 9.0-9.7 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 - 6.7-7.1 HB ILE 56 - HB2 GLU 63 far 0 96 0 - 7.2-7.8 HB3 LYS 82 - HB2 GLU 63 far 0 97 0 - 8.8-9.0 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 3 assignments used, quality = 1.00: * HG2 GLU 63 + HB2 GLU 63 OK 100 100 100 100 2.4-2.7 3.0=100 HG2 GLU 62 - HB2 GLU 63 far 0 73 0 - 6.7-8.2 HG3 GLU 62 - HB2 GLU 63 far 0 73 0 - 7.6-8.2 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 2.9-3.0 3.0=100 HB2 ASP 61 - HB2 GLU 63 far 0 100 0 - 8.2-8.6 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 2 assignments used, quality = 1.00: * H LEU 64 + HB2 GLU 63 OK 100 100 100 100 3.6-3.9 7031=100, 7032/1.8=74...(8) H ASN 60 + HB2 GLU 63 OK 98 98 100 100 3.9-3.9 9413=93, 9414/1.8=75...(13) Violated in 0 structures by 0.00 A. Peak 2779 from cnoeabs.peaks (8.38, 1.78, 29.93 ppm; 4.31 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 63 + HB3 GLU 63 OK 100 100 100 100 2.3-2.6 4.0=100 H GLU 62 - HB3 GLU 63 far 0 91 0 - 4.7-5.0 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 - 8.1-10.0 HA GLU 35 - HB3 GLU 63 far 0 82 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 2781 from cnoeabs.peaks (2.20, 1.78, 29.93 ppm; 3.34 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 63 + HB3 GLU 63 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 35 - HB3 GLU 63 far 0 100 0 - 9.0-11.5 HG2 GLU 35 - HB3 GLU 63 far 0 100 0 - 9.5-12.2 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 2.4-2.9 3.0=100 HG2 GLU 62 - HB3 GLU 63 far 0 73 0 - 6.2-7.5 HG3 GLU 62 - HB3 GLU 63 far 0 73 0 - 7.0-7.4 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 2.2-2.4 3.0=100 HB2 ASP 61 - HB3 GLU 63 far 0 100 0 - 6.8-7.1 Violated in 0 structures by 0.00 A. Peak 2785 from cnoeabs.peaks (7.72, 1.78, 29.93 ppm; 4.06 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 64 + HB3 GLU 63 OK 100 100 100 100 2.8-2.9 7032=94, 7031/1.8=81...(12) H ASN 60 + HB3 GLU 63 OK 98 98 100 100 2.5-2.7 9414=97, 9413/1.8=72...(13) Violated in 0 structures by 0.00 A. Peak 2786 from cnoeabs.peaks (8.38, 2.29, 36.00 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 63 + HG2 GLU 63 OK 100 100 100 100 2.6-3.9 7023/1.8=87, 2772/3.0=63...(13) H GLU 62 - HG2 GLU 63 far 0 91 0 - 5.2-6.5 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 8 assignments used, quality = 1.00: * HA GLU 63 + HG2 GLU 63 OK 100 100 100 100 2.4-3.7 3.8=100 HA GLU 43 + HG3 GLU 43 OK 26 26 100 100 2.2-3.8 3.7=100 HA TYR 41 - HG3 GLU 43 far 0 39 0 - 4.7-7.4 HA GLU 44 - HG3 GLU 43 far 0 33 0 - 6.2-6.6 HB3 SER 9 - HG2 GLU 63 far 0 98 0 - 7.0-10.5 HA GLU 35 - HG2 GLU 63 far 0 82 0 - 7.4-9.0 HB3 SER 9 - HG3 GLU 16 far 0 98 0 - 8.6-11.0 HA GLU 35 - HG3 GLU 43 far 0 29 0 - 9.9-11.6 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 10 assignments used, quality = 0.99: * HB2 GLU 63 + HG2 GLU 63 OK 93 100 100 93 2.4-2.7 3.0=67, 3.0/2766=26...(11) HB3 GLU 16 + HG3 GLU 16 OK 68 73 100 93 2.2-2.9 3.0=67, 1.8/701=24...(13) HG2 GLU 43 + HG3 GLU 43 OK 41 41 100 100 1.8-1.8 1.8=100 HB3 GLU 16 - HG2 GLU 23 far 0 35 0 - 7.7-10.7 HG3 GLU 35 - HG2 GLU 63 far 0 100 0 - 7.7-11.1 HG3 PRO 86 - HG3 GLU 16 far 0 100 0 - 8.9-11.1 HG2 GLU 35 - HG3 GLU 43 far 0 42 0 - 9.1-11.6 HG2 GLU 35 - HG2 GLU 63 far 0 100 0 - 9.2-11.4 HG3 GLU 35 - HG3 GLU 43 far 0 42 0 - 9.4-11.5 HB3 GLU 75 - HG3 GLU 43 far 0 41 0 - 9.5-12.7 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 11 assignments used, quality = 1.00: * HB3 GLU 63 + HG2 GLU 63 OK 100 100 100 100 2.4-2.9 3.0=100 HB2 LEU 42 - HG3 GLU 43 far 1 28 5 - 3.9-5.2 HG3 ARG 46 - HG3 GLU 43 far 0 41 0 - 5.0-9.3 HB2 LYS 39 - HG3 GLU 43 far 0 35 0 - 5.1-6.9 HG3 ARG 19 - HG2 GLU 23 far 0 49 0 - 5.7-7.1 HG3 ARG 19 - HG3 GLU 16 far 0 94 0 - 6.5-8.0 HB2 LYS 66 - HG2 GLU 63 far 0 98 0 - 6.7-8.3 HB ILE 93 - HG2 GLU 23 far 0 42 0 - 9.1-10.0 HB ILE 56 - HG2 GLU 63 far 0 96 0 - 9.4-10.4 HB3 LYS 82 - HG2 GLU 63 far 0 97 0 - 10.0-10.6 HB2 GLU 28 - HG2 GLU 23 far 0 30 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 2790 from cnoeabs.peaks (2.29, 2.29, 36.00 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 GLU 63 + HG2 GLU 63 OK 100 100 - 100 HG3 GLU 16 + HG3 GLU 16 OK 100 100 - 100 HG2 GLU 23 + HG2 GLU 23 OK 42 42 - 100 HG3 GLU 43 + HG3 GLU 43 OK 29 29 - 100 Peak 2791 from cnoeabs.peaks (2.52, 2.29, 36.00 ppm; 3.05 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 63 + HG2 GLU 63 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 23 + HG2 GLU 23 OK 42 42 100 100 1.8-1.8 1.8=100 HG2 MET 74 - HG3 GLU 43 far 0 40 0 - 6.2-8.3 HB3 ASP 36 - HG3 GLU 43 far 0 41 0 - 7.9-11.7 HB2 ASP 36 - HG3 GLU 43 far 0 40 0 - 8.2-11.3 HB2 ASP 61 - HG2 GLU 63 far 0 100 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 2792 from cnoeabs.peaks (7.72, 2.29, 36.00 ppm; 4.73 A): 1 out of 7 assignments used, quality = 0.98: H ASN 60 + HG2 GLU 63 OK 98 98 100 100 3.9-4.7 9412=95, 9411/1.8=77...(12) ! H LEU 64 - HG2 GLU 63 far 10 100 10 - 4.7-5.3 H MET 21 - HG2 GLU 23 far 3 33 10 - 4.9-6.1 H ALA 25 - HG2 GLU 23 far 0 55 0 - 6.1-6.7 H MET 74 - HG3 GLU 43 far 0 28 0 - 8.6-10.4 H GLU 37 - HG3 GLU 43 far 0 32 0 - 8.7-10.9 H MET 21 - HG3 GLU 16 far 0 71 0 - 8.8-10.1 Violated in 0 structures by 0.00 A. Peak 2793 from cnoeabs.peaks (8.38, 2.52, 36.00 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 63 + HG3 GLU 63 OK 100 100 100 100 2.3-2.6 7023=100, 2786/1.8=63...(14) H GLU 62 - HG3 GLU 63 far 0 91 0 - 4.6-5.1 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 2.9-3.6 3.8=100 HA GLU 35 - HG3 GLU 63 far 0 82 0 - 7.7-9.2 HB3 SER 9 - HG3 GLU 63 far 0 98 0 - 8.7-10.1 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 2.9-3.0 3.0=100 HG3 GLU 35 - HG3 GLU 63 far 0 100 0 - 8.4-10.7 HB3 GLU 16 - HG3 GLU 23 far 0 35 0 - 8.9-12.0 HG2 GLU 35 - HG3 GLU 63 far 0 100 0 - 8.9-11.2 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 6 assignments used, quality = 1.00: * HB3 GLU 63 + HG3 GLU 63 OK 100 100 100 100 2.2-2.4 3.0=100 HG3 ARG 19 - HG3 GLU 23 far 0 49 0 - 6.3-7.4 HB2 LYS 66 - HG3 GLU 63 far 0 98 0 - 7.2-8.3 HB2 GLU 28 - HG3 GLU 23 far 0 30 0 - 8.4-9.3 HB ILE 93 - HG3 GLU 23 far 0 42 0 - 8.9-9.7 HB3 LYS 82 - HG3 GLU 63 far 0 97 0 - 9.2-10.4 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 4 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 far 0 73 0 - 5.3-7.0 HG3 GLU 62 - HG3 GLU 63 far 0 73 0 - 5.8-6.8 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 4.5-4.7 7024/7023=84...(9) H ASN 60 + HG3 GLU 63 OK 98 98 100 100 3.1-4.5 9411=94, 9412/1.8=85...(10) H ALA 25 - HG3 GLU 23 far 0 55 0 - 5.6-6.0 H MET 21 - HG3 GLU 23 far 0 33 0 - 5.7-6.9 Violated in 0 structures by 0.00 A. Peak 2800 from cnoeabs.peaks (7.72, 3.75, 58.94 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 64 + HA LEU 64 OK 100 100 100 100 2.9-2.9 3.0=100 H ASN 60 - HA LEU 64 far 0 98 0 - 5.5-6.0 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 3.0-3.0 3.0=100 HB2 GLU 69 - HA LEU 64 far 0 97 0 - 7.5-7.8 HG2 GLU 69 - HA LEU 64 far 0 97 0 - 7.6-8.1 HB3 GLU 62 - HA LEU 64 far 0 87 0 - 7.6-8.1 HB3 GLU 69 - HA LEU 64 far 0 97 0 - 9.2-9.5 HB3 GLU 35 - HA LEU 64 far 0 73 0 - 9.3-10.5 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 2.3-2.4 3.0=100 HG LEU 64 + HA LEU 64 OK 98 99 100 100 2.9-3.1 2827=63, 2.1/2843=63...(22) HD2 LYS 82 - HA LEU 64 far 0 75 0 - 5.3-6.6 HG2 LYS 66 - HA LEU 64 far 0 100 0 - 6.5-7.1 HG LEU 38 - HA LEU 64 far 0 75 0 - 6.5-7.4 HG3 LYS 66 - HA LEU 64 far 0 100 0 - 7.5-7.9 HB2 LEU 38 - HA LEU 64 far 0 68 0 - 8.6-9.6 HG LEU 57 - HA LEU 64 far 0 99 0 - 9.7-10.1 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 2.9-3.1 2827=64, 2.1/2843=63...(22) HB3 LEU 64 + HA LEU 64 OK 99 99 100 100 2.3-2.4 3.0=100 HD2 LYS 82 - HA LEU 64 far 0 91 0 - 5.3-6.6 HG2 LYS 66 - HA LEU 64 far 0 99 0 - 6.5-7.1 HG LEU 38 - HA LEU 64 far 0 91 0 - 6.5-7.4 HG3 LYS 66 - HA LEU 64 far 0 98 0 - 7.5-7.9 HB2 LEU 38 - HA LEU 64 far 0 85 0 - 8.6-9.6 HG LEU 57 - HA LEU 64 far 0 91 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 2805 from cnoeabs.peaks (0.86, 3.75, 58.94 ppm; 4.22 A increased from 3.97 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 64 + HA LEU 64 OK 100 100 100 100 4.0-4.0 4.0=100 HG13 ILE 8 - HA LEU 64 far 0 85 0 - 6.3-8.4 QD1 LEU 38 - HA LEU 64 far 0 100 0 - 6.5-7.3 QD1 LEU 57 - HA LEU 64 far 0 68 0 - 7.1-7.6 QG2 VAL 32 - HA LEU 64 far 0 75 0 - 8.3-9.1 Violated in 0 structures by 0.00 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 2.3-2.7 2843=88, 2.1/2827=49...(26) QG1 VAL 58 + HA LEU 64 OK 90 91 100 100 2.2-2.5 2.1/9475=61, 9385=56...(21) QD1 ILE 8 - HA LEU 64 far 0 73 0 - 4.5-5.0 QD1 ILE 56 - HA LEU 64 far 0 70 0 - 5.2-5.6 QG2 VAL 78 - HA LEU 64 far 0 92 0 - 6.9-7.4 HG13 ILE 56 - HA LEU 64 far 0 82 0 - 7.3-7.6 HG3 ARG 81 - HA LEU 64 far 0 100 0 - 8.0-9.6 QD1 LEU 6 - HA LEU 64 far 0 79 0 - 8.3-8.9 QG1 VAL 78 - HA LEU 64 far 0 100 0 - 8.9-9.7 QG1 VAL 54 - HA LEU 64 far 0 92 0 - 8.9-9.4 QD2 LEU 42 - HA LEU 64 far 0 85 0 - 9.0-9.6 QG1 VAL 5 - HA LEU 64 far 0 96 0 - 9.7-10.1 QD2 LEU 14 - HA LEU 64 far 0 71 0 - 9.7-10.2 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 - 6.1-6.4 H GLN 72 - HA LEU 64 far 0 98 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 2808 from cnoeabs.peaks (8.48, 3.75, 58.94 ppm; 4.68 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 67 + HA LEU 64 OK 100 100 100 100 3.4-3.7 7081=100, 2.9/2981=83...(13) H ARG 79 - HA LEU 64 far 0 93 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 2809 from cnoeabs.peaks (1.34, 3.75, 58.94 ppm; 3.72 A): 1 out of 5 assignments used, quality = 1.00: * QB ALA 67 + HA LEU 64 OK 100 100 100 100 2.2-2.6 2981=100, 9732/9476=54...(16) HB2 LYS 82 - HA LEU 64 far 0 100 0 - 5.3-5.9 HG3 LYS 68 - HA LEU 64 far 0 98 0 - 6.4-6.5 HG12 ILE 8 - HA LEU 64 far 0 84 0 - 7.1-7.8 HB2 LEU 70 - HA LEU 64 far 0 73 0 - 8.1-8.9 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 2.2-2.3 7038/1.8=86, 3.9=78...(22) H ASN 60 - HB2 LEU 64 far 0 98 0 - 5.2-5.6 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 3.0-3.0 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 97 99 100 99 2.6-2.7 3.0=92, 2827/3.0=32...(11) HD2 LYS 82 - HB2 LEU 64 far 4 75 5 - 3.2-4.3 HG2 LYS 66 - HB2 LEU 64 far 0 100 0 - 6.7-7.4 HG3 LYS 66 - HB2 LEU 64 far 0 100 0 - 8.1-8.6 HG LEU 38 - HB2 LEU 64 far 0 75 0 - 9.3-10.1 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: HB3 LEU 64 + HB2 LEU 64 OK 99 99 100 100 1.8-1.8 1.8=100 * HG LEU 64 + HB2 LEU 64 OK 99 100 100 99 2.6-2.7 3.0=92, 2827/3.0=33...(11) HD2 LYS 82 - HB2 LEU 64 far 5 91 5 - 3.2-4.3 HG2 LYS 66 - HB2 LEU 64 far 0 99 0 - 6.7-7.4 HG3 LYS 66 - HB2 LEU 64 far 0 98 0 - 8.1-8.6 HG LEU 38 - HB2 LEU 64 far 0 91 0 - 9.3-10.1 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 2.0-2.1 3.1=100 QD1 LEU 57 - HB2 LEU 64 far 0 68 0 - 8.3-8.6 HG13 ILE 8 - HB2 LEU 64 far 0 85 0 - 8.8-10.7 QD1 LEU 38 - HB2 LEU 64 far 0 100 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 2816 from cnoeabs.peaks (0.74, 2.11, 41.70 ppm; 3.82 A): 1 out of 6 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 far 0 91 0 - 4.2-4.6 QD1 ILE 8 - HB2 LEU 64 far 0 73 0 - 6.6-7.2 QD1 ILE 56 - HB2 LEU 64 far 0 70 0 - 7.6-8.0 HG3 ARG 81 - HB2 LEU 64 far 0 100 0 - 8.2-10.5 QG2 VAL 78 - HB2 LEU 64 far 0 92 0 - 8.8-9.5 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 2.5-2.6 7049=100, 2825/1.8=64...(26) H GLU 69 - HB2 LEU 64 far 0 94 0 - 7.4-7.7 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 2.8-2.9 7037=100, 2810/1.8=72...(21) H ASN 60 - HB3 LEU 64 far 0 98 0 - 4.4-5.1 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 2.3-2.4 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 5 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 - 7.5-8.1 HG2 GLU 69 - HB3 LEU 64 far 0 97 0 - 8.9-9.4 HB2 GLU 69 - HB3 LEU 64 far 0 97 0 - 9.3-9.6 HB VAL 83 - HB3 LEU 64 far 0 100 0 - 9.5-9.7 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 5 assignments used, quality = 1.00: * QD2 LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.6-2.8 3.1=100 QD1 LEU 57 - HB3 LEU 64 far 0 68 0 - 6.8-7.2 HG13 ILE 8 - HB3 LEU 64 far 0 85 0 - 7.4-9.8 QD1 LEU 38 - HB3 LEU 64 far 0 100 0 - 8.5-9.2 QG2 VAL 32 - HB3 LEU 64 far 0 75 0 - 9.8-10.6 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 9 assignments used, quality = 1.00: * QD1 LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.2-2.3 3.1=100 QG1 VAL 58 + HB3 LEU 64 OK 91 91 100 100 3.1-3.6 2.1/9379=63, 9383=53...(18) QD1 ILE 8 - HB3 LEU 64 far 0 73 0 - 5.8-6.4 HG3 ARG 81 - HB3 LEU 64 far 0 100 0 - 6.8-9.1 QD1 ILE 56 - HB3 LEU 64 far 0 70 0 - 6.9-7.3 QG2 VAL 78 - HB3 LEU 64 far 0 92 0 - 8.2-8.9 HG13 ILE 56 - HB3 LEU 64 far 0 82 0 - 9.1-9.5 QD2 LEU 14 - HB3 LEU 64 far 0 71 0 - 9.4-9.9 QD1 LEU 6 - HB3 LEU 64 far 0 79 0 - 10.0-10.6 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 3.9-4.0 7049/1.8=95...(23) H GLU 69 - HB3 LEU 64 far 0 94 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 2826 from cnoeabs.peaks (7.72, 1.48, 27.00 ppm; 4.47 A increased from 3.97 A): 1 out of 8 assignments used, quality = 1.00: * H LEU 64 + HG LEU 64 OK 100 100 100 100 4.3-4.4 7037/3.0=86, 7039/2.1=81...(11) H SER 49 - HG13 ILE 52 far 0 63 0 - 5.0-7.0 H GLU 37 - HG LEU 38 far 0 64 0 - 6.9-7.2 H ASN 60 - HG LEU 64 far 0 98 0 - 7.4-7.9 HD22 ASN 51 - HG13 ILE 52 far 0 41 0 - 7.5-9.5 H LEU 64 - HG LEU 38 far 0 81 0 - 8.0-8.8 H VAL 78 - HG13 ILE 52 far 0 34 0 - 9.3-10.6 H ASN 60 - HG LEU 38 far 0 76 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 2827 from cnoeabs.peaks (3.75, 1.48, 27.00 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 64 + HG LEU 64 OK 100 100 100 100 2.9-3.1 2843/2.1=80, 4.3=69...(22) HA LEU 64 - HG LEU 38 far 0 81 0 - 6.5-7.4 HA3 GLY 100 - HG13 ILE 52 far 0 37 0 - 8.6-11.3 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 17 assignments used, quality = 1.00: * HB2 LEU 64 + HG LEU 64 OK 100 100 100 100 2.6-2.7 3.0=100 HB3 GLU 88 - HG3 ARG 91 far 0 28 0 - 5.7-7.5 HB3 GLU 35 - HG LEU 38 far 0 52 0 - 5.8-6.7 QE MET 21 - HG3 ARG 91 far 0 47 0 - 6.3-7.8 HG2 GLU 88 - HG3 ARG 91 far 0 35 0 - 6.3-8.9 HG2 GLU 69 - HG LEU 64 far 0 97 0 - 6.6-7.4 HG2 GLU 44 - HG13 ILE 52 far 0 52 0 - 6.9-8.2 HB3 GLU 37 - HG LEU 38 far 0 76 0 - 6.9-7.7 HB2 GLU 69 - HG LEU 64 far 0 97 0 - 7.4-7.9 HB2 GLU 69 - HG LEU 38 far 0 75 0 - 7.5-8.3 HG3 GLU 37 - HG LEU 38 far 0 80 0 - 8.2-8.9 HB3 GLU 69 - HG LEU 38 far 0 75 0 - 8.6-9.5 HB VAL 83 - HG3 ARG 91 far 0 52 0 - 8.7-10.6 HB3 GLU 62 - HG LEU 64 far 0 87 0 - 8.7-8.9 HB3 GLU 69 - HG LEU 64 far 0 97 0 - 8.9-9.4 HB2 LEU 64 - HG LEU 38 far 0 81 0 - 9.3-10.1 HG2 GLU 69 - HG LEU 38 far 0 75 0 - 9.4-10.1 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): 3 out of 16 assignments used, quality = 1.00: * QD2 LEU 64 + HG LEU 64 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 38 + HG LEU 38 OK 80 80 100 100 2.1-2.1 2.1=100 QD1 LEU 2 + HG13 ILE 52 OK 53 55 100 98 2.2-3.6 12039=70, 10640/2.1=33...(19) QG2 VAL 32 - HG LEU 38 far 0 54 0 - 4.1-4.2 HG13 ILE 8 - HG LEU 38 far 0 62 0 - 4.9-5.6 QG2 ILE 76 - HG13 ILE 52 far 0 54 0 - 5.5-6.5 QD1 LEU 103 - HG3 ARG 91 far 0 52 0 - 6.3-20.4 QD1 LEU 57 - HG3 ARG 91 far 0 28 0 - 6.6-8.1 QD2 LEU 103 - HG3 ARG 91 far 0 27 0 - 7.1-19.4 QD1 LEU 57 - HG LEU 64 far 0 68 0 - 8.1-8.5 QD1 LEU 38 - HG LEU 64 far 0 100 0 - 8.2-9.1 QG2 ILE 76 - HG LEU 38 far 0 68 0 - 8.6-9.2 HG13 ILE 8 - HG LEU 64 far 0 85 0 - 9.1-11.4 QD2 LEU 64 - HG LEU 38 far 0 81 0 - 9.3-10.0 QD1 LEU 57 - HG LEU 38 far 0 47 0 - 9.6-10.6 QD1 LEU 103 - HG13 ILE 52 far 0 65 0 - 9.6-16.5 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 35 assignments used, quality = 1.00: * QD1 LEU 64 + HG LEU 64 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 8 + HG LEU 38 OK 39 52 100 74 2.8-3.3 12201=23, 8855/3.7=21...(10) QG2 ILE 52 + HG13 ILE 52 OK 33 34 100 97 3.1-3.2 3.2=92, 2377/2.1=25...(12) QD1 ILE 56 - HG LEU 38 poor 15 49 30 - 3.1-3.7 QD1 LEU 6 - HG LEU 38 far 0 57 0 - 4.0-4.7 HG13 ILE 56 - HG LEU 38 far 0 60 0 - 4.5-5.2 QG1 VAL 58 - HG LEU 64 far 0 91 0 - 4.7-5.1 QG1 VAL 58 - HG LEU 38 far 0 68 0 - 4.8-5.4 QD2 LEU 42 - HG LEU 38 far 0 62 0 - 5.2-5.9 QG1 VAL 78 - HG13 ILE 52 far 0 65 0 - 5.9-7.4 QG1 VAL 54 - HG13 ILE 52 far 0 55 0 - 5.9-6.9 QG1 VAL 54 - HG LEU 38 far 0 69 0 - 6.1-6.8 QG2 VAL 78 - HG LEU 38 far 0 69 0 - 6.1-6.7 QD1 ILE 56 - HG LEU 64 far 0 70 0 - 6.3-6.8 QG1 VAL 78 - HG LEU 38 far 0 80 0 - 6.6-7.3 QD2 LEU 27 - HG13 ILE 52 far 0 61 0 - 6.6-8.0 QG2 VAL 78 - HG LEU 64 far 0 92 0 - 6.8-7.8 QD1 ILE 8 - HG LEU 64 far 0 73 0 - 7.0-7.6 QD2 LEU 42 - HG13 ILE 52 far 0 49 0 - 7.0-7.8 QD1 ILE 93 - HG3 ARG 91 far 0 36 0 - 7.3-8.2 QD1 LEU 64 - HG LEU 38 far 0 81 0 - 7.4-8.4 QD1 LEU 27 - HG13 ILE 52 far 0 47 0 - 7.6-8.6 QG2 ILE 93 - HG3 ARG 91 far 0 50 0 - 7.7-8.4 HG13 ILE 93 - HG3 ARG 91 far 0 52 0 - 7.7-8.4 HG3 ARG 81 - HG3 ARG 91 far 0 52 0 - 7.8-10.4 QD1 LEU 6 - HG13 ILE 52 far 0 44 0 - 7.9-8.6 HG3 ARG 81 - HG LEU 64 far 0 100 0 - 8.0-9.3 QG2 VAL 78 - HG13 ILE 52 far 0 55 0 - 8.4-9.9 QG1 VAL 5 - HG LEU 38 far 0 74 0 - 8.9-9.4 HG13 ILE 56 - HG LEU 64 far 0 82 0 - 9.0-9.6 QG1 VAL 78 - HG LEU 64 far 0 100 0 - 9.3-10.4 QG1 VAL 5 - HG13 ILE 52 far 0 59 0 - 9.3-10.3 QG1 VAL 5 - HG3 ARG 91 far 0 47 0 - 9.3-10.3 QD1 ILE 56 - HG13 ILE 52 far 0 38 0 - 9.4-10.4 QD1 LEU 27 - HG3 ARG 91 far 0 37 0 - 9.6-10.4 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 3.4-3.6 7052/2.1=85, 7049/3.0=84...(19) H GLU 69 - HG LEU 64 far 0 94 0 - 5.7-6.3 H GLU 69 - HG LEU 38 far 0 71 0 - 6.8-7.7 H GLN 72 - HG LEU 38 far 0 76 0 - 8.2-8.9 H ASP 65 - HG LEU 38 far 0 81 0 - 8.5-9.2 H GLN 72 - HG LEU 64 far 0 98 0 - 9.4-10.0 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 3.9-4.1 7039=100, 7038/3.1=84...(16) H ASN 60 - QD2 LEU 64 far 0 98 0 - 5.8-6.4 HD22 ASN 51 - QD1 LEU 103 far 0 37 0 - 6.9-15.7 H SER 49 - QD1 LEU 103 far 0 58 0 - 9.3-19.3 H VAL 78 - QD1 LEU 103 far 0 31 0 - 9.5-16.7 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 4.0-4.0 4.0=100 HA3 GLY 100 - QD1 LEU 103 far 2 33 5 - 4.4-10.3 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 12 assignments used, quality = 1.00: * HB2 LEU 64 + QD2 LEU 64 OK 100 100 100 100 2.0-2.1 3.1=100 HG3 GLU 104 - QD1 LEU 103 far 5 54 10 - 3.4-8.0 HG2 GLU 104 - QD1 LEU 103 far 2 33 5 - 3.6-8.9 HG2 GLU 69 - QD2 LEU 64 far 0 97 0 - 6.7-7.5 HB3 GLU 62 - QD2 LEU 64 far 0 87 0 - 7.1-7.5 HB2 GLU 69 - QD2 LEU 64 far 0 97 0 - 7.6-8.2 QE MET 21 - QD1 LEU 103 far 0 55 0 - 8.4-17.3 HB3 GLU 69 - QD2 LEU 64 far 0 97 0 - 8.9-9.4 HB3 GLU 88 - QD1 LEU 103 far 0 33 0 - 8.9-23.7 HB VAL 83 - QD2 LEU 64 far 0 100 0 - 9.0-9.5 HB3 GLU 88 - QD2 LEU 64 far 0 68 0 - 9.9-10.6 HG2 GLU 88 - QD2 LEU 64 far 0 79 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 2837 from cnoeabs.peaks (1.49, 0.86, 25.46 ppm; 3.15 A): 4 out of 16 assignments used, quality = 1.00: * HB3 LEU 64 + QD2 LEU 64 OK 100 100 100 100 2.6-2.8 3.1=100 HG LEU 64 + QD2 LEU 64 OK 99 99 100 100 2.1-2.1 2.1=100 HD2 LYS 82 + QD2 LEU 64 OK 55 75 80 91 2.8-3.7 3.5/10252=36...(14) HB3 LEU 103 + QD1 LEU 103 OK 36 36 100 100 2.1-3.2 3.1=100 HD2 LYS 53 - QD1 LEU 103 far 0 38 0 - 5.3-10.4 HG2 LYS 53 - QD1 LEU 103 far 0 42 0 - 5.9-12.5 HG3 ARG 91 - QD1 LEU 103 far 0 30 0 - 6.3-20.4 HG3 LYS 53 - QD1 LEU 103 far 0 48 0 - 6.6-12.1 HG2 LYS 66 - QD2 LEU 64 far 0 100 0 - 7.2-7.9 HG LEU 2 - QD1 LEU 103 far 0 45 0 - 8.1-16.3 HG LEU 57 - QD1 LEU 103 far 0 57 0 - 8.2-21.0 HG3 LYS 66 - QD2 LEU 64 far 0 100 0 - 8.4-9.0 HB2 ARG 91 - QD1 LEU 103 far 0 59 0 - 8.7-22.4 HG LEU 38 - QD2 LEU 64 far 0 75 0 - 9.3-10.0 HG LEU 57 - QD2 LEU 64 far 0 99 0 - 9.4-10.0 HG13 ILE 52 - QD1 LEU 103 far 0 36 0 - 9.6-16.5 Violated in 0 structures by 0.00 A. Peak 2838 from cnoeabs.peaks (1.48, 0.86, 25.46 ppm; 3.15 A): 3 out of 15 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 2.6-2.8 3.1=100 HD2 LYS 82 + QD2 LEU 64 OK 67 91 80 92 2.8-3.7 3.5/10252=36...(14) HD2 LYS 53 - QD1 LEU 103 far 0 49 0 - 5.3-10.4 HG2 LYS 53 - QD1 LEU 103 far 0 52 0 - 5.9-12.5 HG3 ARG 91 - QD1 LEU 103 far 0 41 0 - 6.3-20.4 HG3 LYS 53 - QD1 LEU 103 far 0 56 0 - 6.6-12.1 HG2 LYS 66 - QD2 LEU 64 far 0 99 0 - 7.2-7.9 HG LEU 2 - QD1 LEU 103 far 0 33 0 - 8.1-16.3 HG LEU 57 - QD1 LEU 103 far 0 49 0 - 8.2-21.0 HG3 LYS 66 - QD2 LEU 64 far 0 98 0 - 8.4-9.0 HB2 ARG 91 - QD1 LEU 103 far 0 59 0 - 8.7-22.4 HG LEU 38 - QD2 LEU 64 far 0 91 0 - 9.3-10.0 HG LEU 57 - QD2 LEU 64 far 0 91 0 - 9.4-10.0 HG13 ILE 52 - QD1 LEU 103 far 0 47 0 - 9.6-16.5 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 25 assignments used, quality = 1.00: * QD1 LEU 64 + QD2 LEU 64 OK 100 100 100 100 2.0-2.1 2.1=100 QG1 VAL 58 - QD2 LEU 64 far 0 91 0 - 4.9-5.2 HG3 ARG 81 - QD2 LEU 64 far 0 100 0 - 5.8-7.8 QG2 ILE 52 - QD1 LEU 103 far 0 31 0 - 6.6-13.9 QD1 ILE 56 - QD2 LEU 64 far 0 70 0 - 6.9-7.3 QD1 ILE 8 - QD2 LEU 64 far 0 73 0 - 7.0-7.4 QG2 VAL 78 - QD2 LEU 64 far 0 92 0 - 7.2-8.0 QD1 LEU 27 - QD1 LEU 103 far 0 42 0 - 7.2-13.7 QG2 ILE 93 - QD1 LEU 103 far 0 58 0 - 7.5-16.3 QG1 VAL 5 - QD1 LEU 103 far 0 54 0 - 7.6-16.5 HG3 ARG 81 - QD1 LEU 103 far 0 60 0 - 7.7-22.6 HG13 ILE 93 - QD1 LEU 103 far 0 60 0 - 8.3-20.3 QD2 LEU 27 - QD1 LEU 103 far 0 56 0 - 8.4-13.0 QD1 LEU 64 - QD1 LEU 103 far 0 60 0 - 8.5-19.6 QD1 ILE 93 - QD1 LEU 103 far 0 41 0 - 8.5-18.4 QG2 VAL 78 - QD1 LEU 103 far 0 50 0 - 8.6-15.5 QG1 VAL 78 - QD1 LEU 103 far 0 59 0 - 9.1-14.8 QG1 VAL 54 - QD1 LEU 103 far 0 50 0 - 9.2-15.5 QG1 VAL 78 - QD2 LEU 64 far 0 100 0 - 9.2-10.2 HG13 ILE 56 - QD2 LEU 64 far 0 82 0 - 9.3-9.8 QD1 ILE 56 - QD1 LEU 103 far 0 34 0 - 9.6-16.9 QD2 LEU 14 - QD2 LEU 64 far 0 71 0 - 9.6-10.2 QG1 VAL 54 - QD2 LEU 64 far 0 92 0 - 9.8-10.3 QG1 VAL 5 - QD2 LEU 64 far 0 96 0 - 9.9-10.6 QD1 LEU 6 - QD2 LEU 64 far 0 79 0 - 9.9-10.4 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 3 assignments used, quality = 1.00: * H ASP 65 + QD2 LEU 64 OK 100 100 100 100 3.3-3.8 7052=100, 7049/3.1=73...(19) H GLU 69 - QD2 LEU 64 far 0 94 0 - 6.4-7.0 H GLN 72 - QD2 LEU 64 far 0 98 0 - 9.6-10.2 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...(15) H ASN 60 - QD1 LEU 64 far 0 98 0 - 5.6-6.2 H VAL 78 - QD1 LEU 64 far 0 63 0 - 8.6-9.6 H SER 85 - QD1 LEU 64 far 0 79 0 - 9.6-9.8 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 2.3-2.7 4.0=57, 2827/2.1=54...(26) 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 8 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 - 7.2-8.1 HB2 GLU 69 - QD1 LEU 64 far 0 97 0 - 7.6-8.3 HB VAL 83 - QD1 LEU 64 far 0 100 0 - 8.0-8.2 HB3 GLU 62 - QD1 LEU 64 far 0 87 0 - 8.4-8.7 HB3 GLU 88 - QD1 LEU 64 far 0 68 0 - 8.9-9.3 HB3 GLU 69 - QD1 LEU 64 far 0 97 0 - 8.9-9.5 HG2 GLU 88 - QD1 LEU 64 far 0 79 0 - 9.5-11.3 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 9 assignments used, quality = 1.00: * HB3 LEU 64 + QD1 LEU 64 OK 99 100 100 99 2.2-2.3 3.1=87, 3.0/2843=42...(19) 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 - 3.8-4.6 HG LEU 57 - QD1 LEU 64 far 0 99 0 - 7.3-7.9 HG LEU 38 - QD1 LEU 64 far 0 75 0 - 7.4-8.4 HG2 LYS 66 - QD1 LEU 64 far 0 100 0 - 7.7-8.3 HG3 LYS 66 - QD1 LEU 64 far 0 100 0 - 8.8-9.2 HB2 LEU 38 - QD1 LEU 64 far 0 68 0 - 9.3-10.4 HB ILE 7 - QD1 LEU 64 far 0 73 0 - 9.9-10.4 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 8 assignments used, quality = 1.00: * HG LEU 64 + QD1 LEU 64 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 64 + QD1 LEU 64 OK 98 99 100 99 2.2-2.3 3.1=87, 3.0/2843=42...(17) HD2 LYS 82 - QD1 LEU 64 far 0 91 0 - 3.8-4.6 HG LEU 57 - QD1 LEU 64 far 0 91 0 - 7.3-7.9 HG LEU 38 - QD1 LEU 64 far 0 91 0 - 7.4-8.4 HG2 LYS 66 - QD1 LEU 64 far 0 99 0 - 7.7-8.3 HG3 LYS 66 - QD1 LEU 64 far 0 98 0 - 8.8-9.2 HB2 LEU 38 - QD1 LEU 64 far 0 85 0 - 9.3-10.4 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 2.0-2.1 2.1=100 QD1 LEU 57 - QD1 LEU 64 far 0 68 0 - 5.1-5.4 HG13 ILE 8 - QD1 LEU 64 far 0 85 0 - 6.6-8.9 QD1 LEU 38 - QD1 LEU 64 far 0 100 0 - 6.8-7.7 QG2 VAL 32 - QD1 LEU 64 far 0 75 0 - 8.3-9.2 QD1 LEU 103 - QD1 LEU 64 far 0 100 0 - 8.5-19.6 HG13 ILE 7 - QD1 LEU 64 far 0 75 0 - 9.2-10.4 QG2 ILE 76 - QD1 LEU 64 far 0 91 0 - 9.6-10.5 QD2 LEU 103 - QD1 LEU 64 far 0 65 0 - 10.0-18.8 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): 1 out of 3 assignments used, quality = 1.00: * H ASP 65 + QD1 LEU 64 OK 100 100 100 100 4.5-4.6 4.9=100 H GLU 69 - QD1 LEU 64 far 0 94 0 - 6.1-6.7 H GLN 72 - QD1 LEU 64 far 0 98 0 - 8.4-9.3 Violated in 0 structures by 0.00 A. Peak 2850 from cnoeabs.peaks (7.92, 4.31, 57.27 ppm; 3.40 A): 1 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 far 0 94 0 - 3.8-4.1 H GLN 72 - HA ASP 65 far 0 98 0 - 8.0-8.3 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 2.7-2.9 3.0=100 HB3 ASP 61 - HA ASP 65 far 0 94 0 - 7.7-8.3 HE2 LYS 82 - HA ASP 65 far 0 87 0 - 9.5-10.8 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 2.8-3.0 3.0=100 HB3 TYR 41 - HA ASP 36 far 0 48 0 - 8.7-9.0 HG3 MET 74 - HA ASP 36 far 0 41 0 - 8.7-11.2 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 - 6.7-7.1 H LYS 73 - HA ASP 65 far 0 59 0 - 9.3-9.9 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 3.6-3.8 7100=93, 7115/7118=47...(19) H ASP 36 + HA ASP 36 OK 48 48 100 100 2.8-2.8 3.0=100 H GLU 43 - HA ASP 36 far 0 47 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 2856 from cnoeabs.peaks (1.84, 4.31, 57.27 ppm; 3.48 A): 0 out of 6 assignments used, quality = 0.00: HB3 LYS 39 - HA ASP 36 poor 9 36 25 - 3.3-4.7 HB3 LYS 68 - HA ASP 65 far 0 71 0 - 4.2-4.5 ! HB2 LYS 68 - HA ASP 65 far 0 100 0 - 4.8-5.2 HB3 LYS 66 - HA ASP 65 far 0 88 0 - 5.7-5.9 HB2 LEU 42 - HA ASP 36 far 0 30 0 - 8.0-8.5 HB3 LYS 66 - HA ASP 36 far 0 37 0 - 9.2-10.8 Violated in 15 structures by 0.17 A. Peak 2857 from cnoeabs.peaks (1.87, 4.31, 57.27 ppm; 3.48 A): 0 out of 6 assignments used, quality = 0.00: HB3 LYS 39 - HA ASP 36 poor 12 46 25 - 3.3-4.7 ! HB3 LYS 68 - HA ASP 65 far 0 100 0 - 4.2-4.5 HB2 LYS 68 - HA ASP 65 far 0 71 0 - 4.8-5.2 HB3 LYS 66 - HA ASP 65 far 0 99 0 - 5.7-5.9 HG LEU 42 - HA ASP 36 far 0 35 0 - 8.6-9.3 HB3 LYS 66 - HA ASP 36 far 0 46 0 - 9.2-10.8 Violated in 15 structures by 0.17 A. Peak 2858 from cnoeabs.peaks (4.12, 2.71, 40.20 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 62 + HB2 ASP 65 OK 100 100 100 100 2.5-3.0 2732=82, 2864/1.8=79...(5) HA GLU 62 - HB3 ASP 61 poor 19 76 25 - 4.2-5.6 HB2 SER 59 - HB3 ASP 61 far 0 41 0 - 9.0-10.4 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 2.1-2.2 7055=100, 2865/1.8=75...(12) H ASP 65 - HB3 ASP 61 far 0 76 0 - 5.6-6.1 H GLU 69 - HB2 ASP 65 far 0 94 0 - 6.0-6.2 Violated in 0 structures by 0.00 A. Peak 2860 from cnoeabs.peaks (4.31, 2.71, 40.20 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 65 + HB2 ASP 65 OK 100 100 100 100 2.7-2.9 3.0=100 HA ASP 65 - HB3 ASP 61 far 0 76 0 - 7.7-8.3 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 - 6.7-8.0 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 3.0-3.4 7066=100, 7067/1.8=83...(11) H LYS 66 - HB3 ASP 61 far 0 76 0 - 7.4-8.5 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 = 0.98: * HA GLU 62 + HB3 ASP 65 OK 98 100 100 98 3.2-3.7 2858/1.8=72, 2733=68...(4) HA GLN 72 - HB3 ASP 77 far 0 69 0 - 7.8-8.3 HA GLU 104 - HB3 ASP 77 far 0 99 0 - 9.5-20.6 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 3.0-3.3 7056=98, 7055/1.8=81...(9) H GLU 69 - HB3 ASP 65 far 0 94 0 - 5.0-5.3 H GLN 72 - HB3 ASP 65 far 0 98 0 - 9.4-9.8 H GLN 72 - HB3 ASP 77 far 0 96 0 - 9.7-10.1 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 2.8-3.0 3.0=100 HA LEU 103 - HB3 ASP 77 far 0 96 0 - 6.9-17.4 Violated in 0 structures by 0.00 A. Peak 2867 from cnoeabs.peaks (2.71, 2.64, 40.20 ppm; 2.47 A): 1 out of 3 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 - 6.7-8.0 HB3 ASN 51 - HB3 ASP 77 far 0 57 0 - 8.6-10.0 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 2.4-2.7 7067=100, 7066/1.8=81...(12) Violated in 0 structures by 0.00 A. Peak 2870 from cnoeabs.peaks (7.80, 4.08, 58.43 ppm; 3.36 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 66 + HA LYS 66 OK 100 100 100 100 2.8-2.8 3.0=100 H ASN 26 - HA LYS 24 poor 7 34 20 - 3.6-3.8 H LYS 20 - HA GLU 17 far 3 56 5 - 3.4-4.3 H LYS 73 - HA LYS 66 far 0 59 0 - 7.7-8.0 H LYS 20 - HA LYS 24 far 0 65 0 - 8.6-9.3 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 11 assignments used, quality = 1.00: * HB2 LYS 66 + HA LYS 66 OK 100 100 100 100 2.4-2.6 3.0=100 HG3 ARG 46 + HA ARG 46 OK 72 73 100 98 2.2-3.2 4.1=50, 3.0/2105=30...(21) HD2 LYS 90 - HA GLU 17 far 0 42 0 - 5.8-6.2 HG3 ARG 19 - HA GLU 17 far 0 58 0 - 6.4-7.5 HB ILE 15 - HA GLU 17 far 0 30 0 - 7.6-7.8 HB ILE 93 - HA GLU 17 far 0 30 0 - 8.2-9.0 HB3 GLU 63 - HA LYS 66 far 0 98 0 - 8.3-8.6 HB2 LYS 39 - HA LYS 66 far 0 73 0 - 8.4-10.7 HB ILE 93 - HA LYS 24 far 0 36 0 - 9.0-9.6 HB VAL 78 - HA ARG 46 far 0 81 0 - 9.1-10.3 HB ILE 56 - HA LYS 66 far 0 100 0 - 9.3-9.7 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 15 assignments used, quality = 1.00: * HB3 LYS 66 + HA LYS 66 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 ARG 46 + HA ARG 46 OK 42 50 85 97 2.1-3.6 4.1=48, 1.8/2096=32...(21) HB2 LYS 20 - HA GLU 17 far 0 41 0 - 4.6-5.0 HB3 LYS 90 - HA GLU 17 far 0 42 0 - 6.1-6.9 HB2 ARG 19 - HA GLU 17 far 0 37 0 - 6.5-7.2 HB3 LYS 68 - HA LYS 66 far 0 99 0 - 6.8-7.0 HB2 LYS 20 - HA LYS 24 far 0 47 0 - 7.0-8.6 HB2 LYS 68 - HA LYS 66 far 0 88 0 - 7.1-7.3 HB VAL 54 - HA ARG 46 far 0 69 0 - 7.8-8.8 HG LEU 42 - HA ARG 46 far 0 52 0 - 7.8-8.4 HB3 LYS 39 - HA LYS 66 far 0 100 0 - 8.2-11.1 HB2 LYS 12 - HA GLU 17 far 0 59 0 - 8.8-9.5 HB2 ARG 19 - HA LYS 24 far 0 44 0 - 9.7-10.4 HB2 LYS 53 - HA ARG 46 far 0 75 0 - 9.9-11.0 HB3 LYS 12 - HA GLU 17 far 0 58 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 2874 from cnoeabs.peaks (1.49, 4.08, 58.43 ppm; 3.26 A): 2 out of 19 assignments used, quality = 1.00: * HG2 LYS 66 + HA LYS 66 OK 100 100 100 100 2.9-3.2 3.7=67, 7071/3.0=53...(25) HG3 LYS 24 + HA LYS 24 OK 56 60 95 100 2.1-3.6 3.7=70, 6386/3.0=35...(44) HG2 LYS 20 - HA GLU 17 poor 7 34 20 - 2.0-5.8 HG3 LYS 66 - HA LYS 66 far 0 100 0 - 3.7-3.8 HG2 LYS 47 - HA ARG 46 far 0 87 0 - 5.0-6.8 HG2 LYS 73 - HA LYS 66 far 0 100 0 - 6.4-7.5 HG LEU 38 - HA LYS 66 far 0 73 0 - 6.8-7.4 HG13 ILE 52 - HA ARG 46 far 0 54 0 - 7.2-7.5 HB2 LEU 38 - HA LYS 66 far 0 65 0 - 7.2-8.5 HG LEU 64 - HA LYS 66 far 0 99 0 - 7.2-7.5 HB2 LEU 27 - HA LYS 24 far 0 40 0 - 7.8-8.5 HB2 LEU 14 - HA GLU 17 far 0 37 0 - 7.9-8.4 HG3 LYS 24 - HA GLU 17 far 0 52 0 - 8.0-10.8 HG2 LYS 20 - HA LYS 24 far 0 40 0 - 8.3-9.5 HB3 LEU 64 - HA LYS 66 far 0 100 0 - 8.4-8.6 HG3 LYS 13 - HA GLU 17 far 0 58 0 - 8.6-9.8 HG2 LYS 53 - HA ARG 46 far 0 64 0 - 8.9-9.9 HB ILE 7 - HA GLU 17 far 0 37 0 - 9.2-9.6 HG LEU 2 - HA ARG 46 far 0 69 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 2875 from cnoeabs.peaks (1.49, 4.08, 58.43 ppm; 3.26 A): 2 out of 19 assignments used, quality = 1.00: HG2 LYS 66 + HA LYS 66 OK 100 100 100 100 2.9-3.2 3.7=67, 7072/3.0=53...(24) HG3 LYS 24 + HA LYS 24 OK 58 61 95 100 2.1-3.6 3.7=70, 6386/3.0=36...(44) HG2 LYS 20 - HA GLU 17 poor 6 32 20 - 2.0-5.8 ! HG3 LYS 66 - HA LYS 66 far 0 100 0 - 3.7-3.8 HG2 LYS 47 - HA ARG 46 far 0 87 0 - 5.0-6.8 HG2 LYS 73 - HA LYS 66 far 0 100 0 - 6.4-7.5 HG LEU 38 - HA LYS 66 far 0 70 0 - 6.8-7.4 HG13 ILE 52 - HA ARG 46 far 0 50 0 - 7.2-7.5 HB2 LEU 38 - HA LYS 66 far 0 61 0 - 7.2-8.5 HG LEU 64 - HA LYS 66 far 0 98 0 - 7.2-7.5 HB2 LEU 27 - HA LYS 24 far 0 37 0 - 7.8-8.5 HB2 LEU 14 - HA GLU 17 far 0 40 0 - 7.9-8.4 HG3 LYS 24 - HA GLU 17 far 0 53 0 - 8.0-10.8 HG2 LYS 20 - HA LYS 24 far 0 37 0 - 8.3-9.5 HB3 LEU 64 - HA LYS 66 far 0 100 0 - 8.4-8.6 HG3 LYS 13 - HA GLU 17 far 0 58 0 - 8.6-9.8 HG2 LYS 53 - HA ARG 46 far 0 60 0 - 8.9-9.9 HB ILE 7 - HA GLU 17 far 0 40 0 - 9.2-9.6 HG LEU 2 - HA ARG 46 far 0 72 0 - 9.5-10.9 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 13 assignments used, quality = 1.00: * HD2 LYS 66 + HA LYS 66 OK 100 100 100 100 2.8-3.6 1.8/2942=81, 2931=60...(42) HG2 LYS 24 + HA LYS 24 OK 61 61 100 100 2.2-3.7 3.7=100 HG3 LYS 90 - HA GLU 17 poor 17 52 40 85 3.9-4.6 12027/2.9=33...(13) HG3 LYS 47 - HA ARG 46 far 0 73 0 - 5.1-6.4 HG2 ARG 19 - HA GLU 17 far 0 52 0 - 6.2-8.5 HG LEU 27 - HA LYS 24 far 0 67 0 - 7.1-7.6 HG3 LYS 73 - HA LYS 66 far 0 100 0 - 7.5-8.7 HD2 LYS 94 - HA LYS 24 far 0 53 0 - 8.1-10.8 HG2 LYS 24 - HA GLU 17 far 0 53 0 - 8.3-11.7 HD3 LYS 94 - HA LYS 24 far 0 67 0 - 9.6-12.4 HB3 LEU 29 - HA LYS 24 far 0 67 0 - 9.7-10.0 HB3 LEU 29 - HA GLU 17 far 0 58 0 - 9.8-10.4 HD2 LYS 94 - HA GLU 17 far 0 46 0 - 10.0-13.5 Violated in 0 structures by 0.00 A. Peak 2877 from cnoeabs.peaks (1.70, 4.08, 58.43 ppm; 3.27 A): 2 out of 27 assignments used, quality = 1.00: * HD3 LYS 66 + HA LYS 66 OK 100 100 100 100 2.0-2.0 2942=79, 2943/3.0=46...(39) HG LEU 70 + HA LYS 66 OK 25 100 30 84 3.4-4.0 7152/7139=28...(15) HD2 LYS 20 - HA GLU 17 poor 18 45 80 50 2.0-4.5 905=11, 458/2.9=11...(12) HD2 LYS 24 - HA LYS 24 poor 17 67 25 - 2.0-4.6 HD3 LYS 20 - HA GLU 17 poor 13 42 55 56 2.0-4.8 1.8/916=12, 905=9...(16) HG3 LYS 20 - HA GLU 17 poor 8 42 20 - 2.6-4.9 HD3 LYS 24 - HA LYS 24 far 0 67 0 - 3.6-5.0 HD3 LYS 90 - HA GLU 17 far 0 58 0 - 4.2-6.1 HD2 LYS 47 - HA ARG 46 far 0 73 0 - 5.2-8.0 HB ILE 52 - HA ARG 46 far 0 59 0 - 5.7-6.3 HD2 LYS 90 - HA GLU 17 far 0 29 0 - 5.8-6.2 HB3 LEU 70 - HA LYS 66 far 0 97 0 - 6.0-6.5 HD3 LYS 47 - HA ARG 46 far 0 75 0 - 6.2-7.9 HD2 LYS 13 - HA GLU 17 far 0 59 0 - 6.5-10.3 HD3 LYS 13 - HA GLU 17 far 0 59 0 - 6.7-10.1 HG2 PRO 86 - HA GLU 17 far 0 57 0 - 6.8-7.5 HD2 LYS 73 - HA LYS 66 far 0 70 0 - 7.3-9.9 HD3 LYS 24 - HA GLU 17 far 0 58 0 - 7.4-10.9 HD3 LYS 73 - HA LYS 66 far 0 65 0 - 7.4-10.5 HD2 LYS 24 - HA GLU 17 far 0 58 0 - 7.5-10.2 HB ILE 15 - HA GLU 17 far 0 41 0 - 7.6-7.8 HG3 LYS 20 - HA LYS 24 far 0 49 0 - 7.8-10.1 HB2 LEU 2 - HA ARG 46 far 0 87 0 - 8.4-9.1 HG12 ILE 15 - HA GLU 17 far 0 57 0 - 8.8-9.5 HD3 LYS 20 - HA LYS 24 far 0 49 0 - 8.8-11.3 HD3 LYS 12 - HA GLU 17 far 0 59 0 - 9.4-12.7 HD2 LYS 12 - HA GLU 17 far 0 59 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 2878 from cnoeabs.peaks (2.90, 4.08, 58.43 ppm; 4.39 A increased from 4.13 A): 3 out of 13 assignments used, quality = 1.00: * HE2 LYS 66 + HA LYS 66 OK 100 100 100 100 2.5-4.5 2.9/2942=78, 2.9/2931=52...(45) HE3 LYS 66 + HA LYS 66 OK 90 100 90 100 2.5-4.8 2.9/2942=78, 2.9/2931=52...(46) HE3 LYS 20 + HA GLU 17 OK 29 51 80 72 2.6-5.4 3.0/916=15, 2964=14...(16) HE2 LYS 20 - HA GLU 17 poor 18 52 50 71 2.0-5.6 3.0/916=15, 3.0/916=13...(16) HE3 LYS 68 - HA LYS 66 far 0 98 0 - 5.8-8.8 HE2 LYS 68 - HA LYS 66 far 0 96 0 - 6.7-8.7 HE3 LYS 94 - HA LYS 24 far 0 60 0 - 7.6-13.5 HE3 LYS 20 - HA LYS 24 far 0 59 0 - 7.9-12.1 HE3 LYS 39 - HA LYS 66 far 0 94 0 - 7.9-11.0 HE2 LYS 39 - HA LYS 66 far 0 87 0 - 8.2-10.6 HE2 LYS 94 - HA LYS 24 far 0 51 0 - 8.9-13.2 HE2 LYS 20 - HA LYS 24 far 0 60 0 - 9.2-11.8 HB2 ASN 60 - HA LYS 66 far 0 100 0 - 9.8-10.0 Violated in 0 structures by 0.00 A. Peak 2879 from cnoeabs.peaks (2.90, 4.08, 58.43 ppm; 4.13 A increased from 3.89 A): 3 out of 16 assignments used, quality = 0.98: HE2 LYS 66 + HA LYS 66 OK 90 100 90 100 2.5-4.5 2.9/2942=72, 2.9/2931=47...(45) * HE3 LYS 66 + HA LYS 66 OK 75 100 75 100 2.5-4.8 2.9/2942=72, 2.9/2931=47...(47) HE3 LYS 90 + HA GLU 17 OK 22 33 90 75 3.3-5.3 ~10433=31, 938=18...(14) HE2 LYS 20 - HA GLU 17 poor 19 56 35 - 2.0-5.6 HE3 LYS 20 - HA GLU 17 poor 18 55 50 67 2.6-5.4 3.0/916=14, 2964=12...(15) HG2 MET 21 - HA GLU 17 far 0 28 0 - 4.9-7.0 HE3 LYS 68 - HA LYS 66 far 0 100 0 - 5.8-8.8 HE2 LYS 68 - HA LYS 66 far 0 99 0 - 6.7-8.7 HE3 LYS 94 - HA LYS 24 far 0 65 0 - 7.6-13.5 HE3 LYS 20 - HA LYS 24 far 0 64 0 - 7.9-12.1 HE3 LYS 39 - HA LYS 66 far 0 87 0 - 7.9-11.0 HE2 LYS 39 - HA LYS 66 far 0 77 0 - 8.2-10.6 HG2 MET 21 - HA LYS 24 far 0 33 0 - 8.4-9.0 HE2 LYS 94 - HA LYS 24 far 0 58 0 - 8.9-13.2 HE2 LYS 20 - HA LYS 24 far 0 64 0 - 9.2-11.8 HB2 ASN 60 - HA LYS 66 far 0 99 0 - 9.8-10.0 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 3.5-3.5 3.6=100 H VAL 54 - HA ARG 46 far 0 84 0 - 7.8-9.2 H LYS 53 - HA ARG 46 far 0 82 0 - 8.2-8.9 H LEU 29 - HA LYS 24 far 0 46 0 - 9.7-10.2 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 3.4-3.6 7119=100, 3103/2883=53...(13) H ASP 65 - HA LYS 66 far 0 94 0 - 5.3-5.4 H GLN 72 - HA LYS 66 far 0 100 0 - 7.0-7.4 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 = 0.93: * HB2 GLU 69 + HA LYS 66 OK 91 100 100 91 2.1-2.5 3102=50, 3095/2881=42...(15) HG2 GLU 69 + HA LYS 66 OK 24 100 30 81 2.9-4.0 3110/2881=37...(11) HB3 GLU 69 - HA LYS 66 far 5 100 5 - 3.5-4.0 HB3 GLU 16 - HA GLU 17 far 0 28 0 - 4.1-4.9 HB3 GLU 23 - HA LYS 24 far 0 49 0 - 4.2-4.5 HB3 PRO 86 - HA GLU 17 far 0 47 0 - 4.8-5.5 QE MET 21 - HA LYS 24 far 0 47 0 - 5.1-5.4 HB2 PRO 86 - HA GLU 17 far 0 58 0 - 5.2-6.0 QE MET 21 - HA GLU 17 far 0 41 0 - 6.9-7.9 HB2 GLU 75 - HA ARG 46 far 0 84 0 - 7.1-8.8 HG2 GLU 44 - HA ARG 46 far 0 85 0 - 7.2-8.7 HB2 LEU 64 - HA LYS 66 far 0 97 0 - 7.6-7.8 HB3 GLU 62 - HA LYS 66 far 0 61 0 - 8.0-8.3 HB3 GLU 23 - HA GLU 17 far 0 42 0 - 8.6-9.2 HB2 GLN 72 - HA LYS 66 far 0 63 0 - 8.6-9.3 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 = 0.93: HB2 GLU 69 + HA LYS 66 OK 91 100 100 91 2.1-2.5 3102=50, 3095/2881=42...(15) HG2 GLU 69 + HA LYS 66 OK 24 100 30 81 2.9-4.0 3110/2881=37...(11) ! HB3 GLU 69 - HA LYS 66 far 5 100 5 - 3.5-4.0 HB3 GLU 16 - HA GLU 17 far 0 28 0 - 4.1-4.9 HB3 GLU 23 - HA LYS 24 far 0 49 0 - 4.2-4.5 HB3 PRO 86 - HA GLU 17 far 0 47 0 - 4.8-5.5 QE MET 21 - HA LYS 24 far 0 47 0 - 5.1-5.4 HB2 PRO 86 - HA GLU 17 far 0 58 0 - 5.2-6.0 QE MET 21 - HA GLU 17 far 0 41 0 - 6.9-7.9 HB2 GLU 75 - HA ARG 46 far 0 84 0 - 7.1-8.8 HG2 GLU 44 - HA ARG 46 far 0 85 0 - 7.2-8.7 HB2 LEU 64 - HA LYS 66 far 0 97 0 - 7.6-7.8 HB3 GLU 62 - HA LYS 66 far 0 61 0 - 8.0-8.3 HB3 GLU 23 - HA GLU 17 far 0 42 0 - 8.6-9.2 HB2 GLN 72 - HA LYS 66 far 0 63 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 2884 from cnoeabs.peaks (3.91, 1.77, 31.73 ppm; 5.10 A increased from 4.08 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 63 + HB2 LYS 66 OK 100 100 100 100 4.5-4.9 2771/1.8=100...(10) HA GLU 35 + HB2 LYS 66 OK 41 82 85 58 4.5-5.6 10609/9514=23, ~12158=17...(6) HA LEU 38 - HB2 LYS 66 far 0 57 0 - 8.3-9.3 Violated in 0 structures by 0.00 A. Peak 2885 from cnoeabs.peaks (7.80, 1.77, 31.73 ppm; 3.69 A increased from 3.47 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 66 + HB2 LYS 66 OK 100 100 100 100 3.6-3.6 7069=96, 7070/1.8=90...(17) H LYS 73 - HB2 LYS 66 far 0 59 0 - 9.0-9.3 Violated in 0 structures by 0.00 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 2.4-2.6 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 39 - HB2 LYS 66 far 0 100 0 - 6.8-9.7 HB3 LYS 68 - HB2 LYS 66 far 0 99 0 - 8.2-8.5 HB2 LYS 68 - HB2 LYS 66 far 0 88 0 - 8.9-9.1 HB ILE 8 - HB2 LYS 66 far 0 70 0 - 9.2-9.8 HG LEU 42 - HB2 LYS 66 far 0 68 0 - 9.2-10.4 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 7 assignments used, quality = 1.00: * HG2 LYS 66 + HB2 LYS 66 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 LYS 66 + HB2 LYS 66 OK 100 100 100 100 2.4-2.5 3.0=100 HG LEU 38 - HB2 LYS 66 far 0 73 0 - 5.4-6.3 HB2 LEU 38 - HB2 LYS 66 far 0 65 0 - 5.4-6.7 HG2 LYS 73 - HB2 LYS 66 far 0 100 0 - 7.8-8.4 HG LEU 64 - HB2 LYS 66 far 0 99 0 - 8.4-8.7 HB3 LEU 64 - HB2 LYS 66 far 0 100 0 - 8.9-9.1 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 7 assignments used, quality = 1.00: * HG3 LYS 66 + HB2 LYS 66 OK 100 100 100 100 2.4-2.5 3.0=100 HG2 LYS 66 + HB2 LYS 66 OK 100 100 100 100 3.0-3.0 3.0=100 HG LEU 38 - HB2 LYS 66 far 0 70 0 - 5.4-6.3 HB2 LEU 38 - HB2 LYS 66 far 0 61 0 - 5.4-6.7 HG2 LYS 73 - HB2 LYS 66 far 0 100 0 - 7.8-8.4 HG LEU 64 - HB2 LYS 66 far 0 98 0 - 8.4-8.7 HB3 LEU 64 - HB2 LYS 66 far 0 100 0 - 8.9-9.1 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 2.4-3.7 3.6=100 HG3 LYS 73 - HB2 LYS 66 far 0 100 0 - 8.9-9.9 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 2.5-3.1 2943=94, 2942/3.0=52...(38) HG LEU 70 + HB2 LYS 66 OK 65 100 85 76 3.4-4.0 ~9516=23, 2.1/9514=20...(13) HB3 LEU 70 - HB2 LYS 66 far 0 97 0 - 5.8-6.3 HD2 LYS 73 - HB2 LYS 66 far 0 70 0 - 8.4-10.5 HD3 LYS 73 - HB2 LYS 66 far 0 65 0 - 8.7-11.3 Violated in 0 structures by 0.00 A. Peak 2893 from cnoeabs.peaks (2.90, 1.77, 31.73 ppm; 4.69 A increased from 4.41 A): 2 out of 7 assignments used, quality = 1.00: * HE2 LYS 66 + HB2 LYS 66 OK 100 100 100 100 2.0-4.8 4.7=97, 2.9/2943=85...(40) HE3 LYS 66 + HB2 LYS 66 OK 100 100 100 100 2.0-4.8 4.7=97, 2.9/2943=85...(42) HE3 LYS 39 - HB2 LYS 66 far 0 94 0 - 6.8-9.7 HE2 LYS 39 - HB2 LYS 66 far 0 87 0 - 7.2-9.5 HE3 LYS 68 - HB2 LYS 66 far 0 98 0 - 8.0-10.9 HE2 LYS 68 - HB2 LYS 66 far 0 96 0 - 8.7-10.6 HB2 ASN 60 - HB2 LYS 66 far 0 100 0 - 9.0-9.3 Violated in 0 structures by 0.00 A. Peak 2894 from cnoeabs.peaks (2.90, 1.77, 31.73 ppm; 4.66 A increased from 4.38 A): 2 out of 7 assignments used, quality = 1.00: * HE3 LYS 66 + HB2 LYS 66 OK 100 100 100 100 2.0-4.8 4.7=95, 2.9/2943=84...(42) HE2 LYS 66 + HB2 LYS 66 OK 100 100 100 100 2.0-4.8 4.7=95, 2.9/2943=84...(40) HE3 LYS 39 - HB2 LYS 66 far 0 87 0 - 6.8-9.7 HE2 LYS 39 - HB2 LYS 66 far 0 77 0 - 7.2-9.5 HE3 LYS 68 - HB2 LYS 66 far 0 100 0 - 8.0-10.9 HE2 LYS 68 - HB2 LYS 66 far 0 99 0 - 8.7-10.6 HB2 ASN 60 - HB2 LYS 66 far 0 99 0 - 9.0-9.3 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 3.6-3.8 7086=97, 7087/1.8=79...(17) Violated in 4 structures by 0.00 A. Peak 2896 from cnoeabs.peaks (3.91, 1.86, 31.73 ppm; 4.04 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 63 + HB3 LYS 66 OK 100 100 100 100 2.9-3.3 2771=100, 2769/7070=59...(10) HA ARG 91 - HB3 LYS 90 far 4 25 15 - 4.3-4.6 HA GLU 35 - HB3 LYS 66 far 0 82 0 - 4.9-6.3 HA ALA 89 - HB3 LYS 90 far 0 33 0 - 6.6-6.6 HA LEU 38 - HB3 LYS 66 far 0 57 0 - 8.7-9.5 HB2 SER 85 - HB3 LYS 90 far 0 34 0 - 9.7-11.2 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 2 assignments used, quality = 1.00: * H LYS 66 + HB3 LYS 66 OK 100 100 100 100 2.3-2.5 7070=100, 2885/1.8=62...(20) H LYS 20 - HB3 LYS 90 far 0 34 0 - 7.5-8.5 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 4 assignments used, quality = 1.00: * HA LYS 66 + HB3 LYS 66 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 17 - HB3 LYS 90 far 0 26 0 - 6.1-6.9 HA PRO 86 - HB3 LYS 90 far 0 33 0 - 6.8-7.3 HA LYS 20 - HB3 LYS 90 far 0 25 0 - 8.7-9.4 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 5 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 far 1 25 5 - 3.0-3.6 HB3 GLU 63 - HB3 LYS 66 far 0 98 0 - 5.8-6.2 HB2 LYS 39 - HB3 LYS 66 far 0 73 0 - 8.2-10.4 HB ILE 56 - HB3 LYS 66 far 0 100 0 - 8.6-9.0 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 12 assignments used, quality = 1.00: * HG2 LYS 66 + HB3 LYS 66 OK 100 100 100 100 2.4-2.5 3.0=100 HG3 LYS 66 + HB3 LYS 66 OK 100 100 100 100 2.4-2.5 3.0=100 HB2 ARG 91 - HB3 LYS 90 far 0 35 0 - 5.0-5.4 HG LEU 38 - HB3 LYS 66 far 0 73 0 - 5.4-6.2 HB2 LEU 38 - HB3 LYS 66 far 0 65 0 - 6.2-7.0 HG LEU 64 - HB3 LYS 66 far 0 99 0 - 7.2-7.4 HB3 LEU 64 - HB3 LYS 66 far 0 100 0 - 7.3-7.5 HG3 LYS 24 - HB3 LYS 90 far 0 31 0 - 8.0-10.2 HG2 LYS 73 - HB3 LYS 66 far 0 100 0 - 9.1-9.8 HG LEU 57 - HB3 LYS 90 far 0 34 0 - 9.1-9.6 HD2 LYS 82 - HB3 LYS 66 far 0 73 0 - 9.6-10.8 HG12 ILE 56 - HB3 LYS 66 far 0 57 0 - 10.0-10.5 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 12 assignments used, quality = 1.00: * HG3 LYS 66 + HB3 LYS 66 OK 100 100 100 100 2.4-2.5 3.0=100 HG2 LYS 66 + HB3 LYS 66 OK 100 100 100 100 2.4-2.5 3.0=100 HB2 ARG 91 - HB3 LYS 90 far 0 35 0 - 5.0-5.4 HG LEU 38 - HB3 LYS 66 far 0 70 0 - 5.4-6.2 HB2 LEU 38 - HB3 LYS 66 far 0 61 0 - 6.2-7.0 HG LEU 64 - HB3 LYS 66 far 0 98 0 - 7.2-7.4 HB3 LEU 64 - HB3 LYS 66 far 0 100 0 - 7.3-7.5 HG3 LYS 24 - HB3 LYS 90 far 0 32 0 - 8.0-10.2 HG2 LYS 73 - HB3 LYS 66 far 0 100 0 - 9.1-9.8 HG LEU 57 - HB3 LYS 90 far 0 34 0 - 9.1-9.6 HD2 LYS 82 - HB3 LYS 66 far 0 70 0 - 9.6-10.8 HG12 ILE 56 - HB3 LYS 66 far 0 61 0 - 10.0-10.5 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 5 assignments used, quality = 1.00: * HD2 LYS 66 + HB3 LYS 66 OK 100 100 100 100 3.7-4.2 3.6=100 HG3 LYS 90 + HB3 LYS 90 OK 31 31 100 100 2.2-2.2 2.8=100 HD2 LYS 94 - HB3 LYS 90 poor 11 27 40 - 4.0-7.7 HD3 LYS 94 - HB3 LYS 90 far 5 35 15 - 4.1-7.7 HG2 LYS 24 - HB3 LYS 90 far 0 32 0 - 7.6-9.9 Violated in 0 structures by 0.00 A. Peak 2904 from cnoeabs.peaks (1.70, 1.86, 31.73 ppm; 3.92 A increased from 3.48 A): 2 out of 12 assignments used, quality = 1.00: * HD3 LYS 66 + HB3 LYS 66 OK 100 100 100 100 3.5-3.8 3.6=100 HD3 LYS 90 + HB3 LYS 90 OK 35 35 100 100 2.9-4.1 3.6=100 HG LEU 70 - HB3 LYS 66 far 0 100 0 - 4.8-5.5 HB3 ARG 91 - HB3 LYS 90 far 0 30 0 - 5.6-6.0 HG3 LYS 20 - HB3 LYS 90 far 0 25 0 - 6.2-9.8 HD3 LYS 24 - HB3 LYS 90 far 0 35 0 - 6.5-9.8 HD2 LYS 24 - HB3 LYS 90 far 0 35 0 - 6.9-10.3 HD3 LYS 20 - HB3 LYS 90 far 0 25 0 - 6.9-10.2 HB3 LEU 70 - HB3 LYS 66 far 0 97 0 - 7.1-7.6 HG2 PRO 86 - HB3 LYS 90 far 0 34 0 - 7.9-9.4 HD2 LYS 20 - HB3 LYS 90 far 0 27 0 - 7.9-10.2 HD2 LYS 73 - HB3 LYS 66 far 0 70 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 2905 from cnoeabs.peaks (2.90, 1.86, 31.73 ppm; 5.19 A increased from 4.16 A): 2 out of 11 assignments used, quality = 1.00: * HE2 LYS 66 + HB3 LYS 66 OK 100 100 100 100 3.6-5.5 4.7=100 HE3 LYS 66 + HB3 LYS 66 OK 90 100 90 100 3.6-5.5 4.7=100 HE2 LYS 94 - HB3 LYS 90 far 0 26 0 - 6.0-9.1 HE3 LYS 94 - HB3 LYS 90 far 0 31 0 - 6.1-9.0 HE2 LYS 20 - HB3 LYS 90 far 0 31 0 - 6.2-11.7 HE3 LYS 20 - HB3 LYS 90 far 0 30 0 - 7.3-11.2 HB2 ASN 60 - HB3 LYS 66 far 0 100 0 - 7.4-7.7 HE3 LYS 68 - HB3 LYS 66 far 0 98 0 - 7.6-10.3 HE2 LYS 68 - HB3 LYS 66 far 0 96 0 - 7.9-10.0 HE3 LYS 39 - HB3 LYS 66 far 0 94 0 - 8.5-11.3 HE2 LYS 39 - HB3 LYS 66 far 0 87 0 - 8.9-11.1 Violated in 0 structures by 0.00 A. Peak 2906 from cnoeabs.peaks (2.90, 1.86, 31.73 ppm; 5.06 A increased from 4.05 A): 2 out of 11 assignments used, quality = 0.98: HE2 LYS 66 + HB3 LYS 66 OK 90 100 90 100 3.6-5.5 4.7=100 * HE3 LYS 66 + HB3 LYS 66 OK 85 100 85 100 3.6-5.5 4.7=100 HE2 LYS 94 - HB3 LYS 90 far 0 30 0 - 6.0-9.1 HE3 LYS 94 - HB3 LYS 90 far 0 34 0 - 6.1-9.0 HE2 LYS 20 - HB3 LYS 90 far 0 34 0 - 6.2-11.7 HE3 LYS 20 - HB3 LYS 90 far 0 33 0 - 7.3-11.2 HB2 ASN 60 - HB3 LYS 66 far 0 99 0 - 7.4-7.7 HE3 LYS 68 - HB3 LYS 66 far 0 100 0 - 7.6-10.3 HE2 LYS 68 - HB3 LYS 66 far 0 99 0 - 7.9-10.0 HE3 LYS 39 - HB3 LYS 66 far 0 87 0 - 8.5-11.3 HE2 LYS 39 - HB3 LYS 66 far 0 77 0 - 8.9-11.1 Violated in 0 structures by 0.00 A. Peak 2907 from cnoeabs.peaks (8.48, 1.86, 31.73 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 67 + HB3 LYS 66 OK 100 100 100 100 2.7-2.9 7087=100, 2895/1.8=75...(16) 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 4 assignments used, quality = 1.00: * H LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.1-2.5 7071=100, 7070/3.0=66...(25) H LYS 66 + HG3 LYS 66 OK 100 100 100 100 3.6-3.8 7072/1.8=84, 7070/3.0=66...(24) H SER 9 - HG3 LYS 33 far 0 71 0 - 5.3-5.4 HE ARG 30 - HG3 LYS 33 far 0 68 0 - 7.7-13.1 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 2.9-3.2 3.7=81, 3.0/7071=59...(25) HA LYS 66 + HG3 LYS 66 OK 95 100 95 100 3.7-3.8 3.7=81, 2942/2.9=53...(26) 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 6 assignments used, quality = 1.00: * HB2 LYS 66 + HG2 LYS 66 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.4-2.5 3.0=100 HB3 GLU 63 - HG2 LYS 66 far 0 98 0 - 6.4-7.5 HB3 GLU 63 - HG3 LYS 66 far 0 98 0 - 6.8-7.7 HB ILE 15 - HG3 LYS 33 far 0 39 0 - 8.6-9.1 HB2 LYS 39 - HG3 LYS 66 far 0 73 0 - 9.1-11.1 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 10 assignments used, quality = 1.00: * HB3 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.4-2.5 3.0=100 HB3 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.4-2.5 3.0=100 HB ILE 8 - HG3 LYS 33 far 0 43 0 - 7.9-8.5 HB3 LYS 68 - HG2 LYS 66 far 0 99 0 - 8.5-8.8 HB3 LYS 39 - HG3 LYS 66 far 0 100 0 - 8.6-11.6 HB2 LYS 68 - HG2 LYS 66 far 0 88 0 - 9.3-9.5 HB3 LYS 39 - HG2 LYS 66 far 0 100 0 - 9.6-12.6 HB ILE 8 - HG2 LYS 66 far 0 70 0 - 9.7-10.8 HB3 LYS 68 - HG3 LYS 66 far 0 99 0 - 9.7-9.9 HB ILE 8 - HG3 LYS 66 far 0 69 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 2912 from cnoeabs.peaks (1.49, 1.49, 24.58 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 LYS 66 + HG2 LYS 66 OK 100 100 - 100 HG3 LYS 66 + HG3 LYS 66 OK 100 100 - 100 HG3 LYS 33 + HG3 LYS 33 OK 68 68 - 100 Peak 2913 from cnoeabs.peaks (1.49, 1.49, 24.58 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG2 LYS 66 + HG2 LYS 66 OK 100 100 - 100 HG3 LYS 66 + HG3 LYS 66 OK 100 100 - 100 HG3 LYS 33 + HG3 LYS 33 OK 70 70 - 100 Reference assignment not found: HG3 LYS 66 - HG2 LYS 66 Peak 2914 from cnoeabs.peaks (1.60, 1.49, 24.58 ppm; 2.56 A): 2 out of 5 assignments used, quality = 0.94: HD2 LYS 66 + HG3 LYS 66 OK 88 100 100 88 2.2-2.5 2.9=66, 2932/3.0=14...(16) * HD2 LYS 66 + HG2 LYS 66 OK 49 100 55 89 2.4-3.0 2.9=66, 7073/7071=14...(17) HB2 ARG 30 - HG3 LYS 33 far 0 73 0 - 8.2-8.5 HG3 LYS 12 - HG3 LYS 33 far 0 72 0 - 9.4-10.9 HG2 ARG 19 - HG3 LYS 33 far 0 66 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 2915 from cnoeabs.peaks (1.70, 1.49, 24.58 ppm; 2.68 A): 3 out of 15 assignments used, quality = 0.98: * HD3 LYS 66 + HG2 LYS 66 OK 94 100 100 94 2.4-2.9 2.9=76, 2943/3.0=30...(16) HD3 LYS 33 + HG3 LYS 33 OK 57 58 100 98 2.3-3.0 3.0=74, ~1483=24...(48) HD3 LYS 66 + HG3 LYS 66 OK 23 100 25 93 2.8-3.0 2.9=76, 2943/3.0=30...(16) HD2 LYS 33 - HG3 LYS 33 far 9 58 15 - 2.7-3.0 HG LEU 70 - HG3 LYS 66 far 0 100 0 - 5.3-6.1 HG LEU 70 - HG2 LYS 66 far 0 100 0 - 5.6-6.5 HG12 ILE 15 - HG3 LYS 33 far 0 71 0 - 6.3-8.1 HD2 LYS 12 - HG3 LYS 33 far 0 73 0 - 7.6-10.8 HB3 LEU 70 - HG3 LYS 66 far 0 97 0 - 8.0-8.6 HD3 LYS 12 - HG3 LYS 33 far 0 73 0 - 8.1-10.5 HB3 LEU 70 - HG2 LYS 66 far 0 97 0 - 8.4-9.1 HB ILE 15 - HG3 LYS 33 far 0 52 0 - 8.6-9.1 HD2 LYS 73 - HG2 LYS 66 far 0 70 0 - 9.4-12.9 HD2 LYS 73 - HG3 LYS 66 far 0 69 0 - 9.6-12.5 HD3 LYS 73 - HG2 LYS 66 far 0 65 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 2916 from cnoeabs.peaks (2.90, 1.49, 24.58 ppm; 3.88 A increased from 3.65 A): 4 out of 15 assignments used, quality = 1.00: * HE2 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.2-3.8 3.6=100 HE2 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.4-4.1 3.6=100 HE3 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.3-3.8 3.6=100 HE3 LYS 66 + HG2 LYS 66 OK 80 100 80 100 2.1-4.2 3.6=100 HE3 LYS 68 - HG2 LYS 66 far 0 98 0 - 6.9-10.2 HB2 ASN 60 - HG2 LYS 66 far 0 100 0 - 7.2-8.3 HE2 LYS 68 - HG2 LYS 66 far 0 96 0 - 7.5-10.3 HB2 ASN 60 - HG3 LYS 66 far 0 100 0 - 7.6-8.5 HE3 LYS 39 - HG3 LYS 66 far 0 94 0 - 8.4-11.3 HB2 ASN 10 - HG3 LYS 33 far 0 45 0 - 8.6-9.2 HE3 LYS 68 - HG3 LYS 66 far 0 97 0 - 8.6-11.8 HE2 LYS 39 - HG3 LYS 66 far 0 87 0 - 9.0-11.1 HE2 LYS 68 - HG3 LYS 66 far 0 96 0 - 9.2-11.7 HE3 LYS 39 - HG2 LYS 66 far 0 94 0 - 9.4-12.6 HE2 LYS 39 - HG2 LYS 66 far 0 87 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 2917 from cnoeabs.peaks (2.90, 1.49, 24.58 ppm; 3.89 A increased from 3.67 A): 4 out of 15 assignments used, quality = 1.00: HE3 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.3-3.8 3.6=100 HE2 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.2-3.8 3.6=100 HE2 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.4-4.1 3.6=100 * HE3 LYS 66 + HG2 LYS 66 OK 80 100 80 100 2.1-4.2 3.6=100 HE3 LYS 68 - HG2 LYS 66 far 0 100 0 - 6.9-10.2 HB2 ASN 60 - HG2 LYS 66 far 0 99 0 - 7.2-8.3 HE2 LYS 68 - HG2 LYS 66 far 0 99 0 - 7.5-10.3 HB2 ASN 60 - HG3 LYS 66 far 0 99 0 - 7.6-8.5 HE3 LYS 39 - HG3 LYS 66 far 0 87 0 - 8.4-11.3 HB2 ASN 10 - HG3 LYS 33 far 0 53 0 - 8.6-9.2 HE3 LYS 68 - HG3 LYS 66 far 0 100 0 - 8.6-11.8 HE2 LYS 39 - HG3 LYS 66 far 0 77 0 - 9.0-11.1 HE2 LYS 68 - HG3 LYS 66 far 0 99 0 - 9.2-11.7 HE3 LYS 39 - HG2 LYS 66 far 0 87 0 - 9.4-12.6 HE2 LYS 39 - HG2 LYS 66 far 0 77 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 2918 from cnoeabs.peaks (8.48, 1.49, 24.58 ppm; 4.56 A): 2 out of 5 assignments used, quality = 1.00: * H ALA 67 + HG2 LYS 66 OK 100 100 100 100 4.2-4.6 7077/7071=86...(17) H VAL 32 + HG3 LYS 33 OK 72 73 100 99 4.3-4.6 10146=69, 3.0/10145=63...(6) H ALA 67 - HG3 LYS 66 far 0 100 0 - 5.0-5.2 H THR 31 - HG3 LYS 33 far 0 66 0 - 6.7-6.8 H ILE 7 - HG3 LYS 33 far 0 60 0 - 8.0-8.3 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 4 assignments used, quality = 1.00: H LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.1-2.5 7072=100, 7070/3.0=69...(25) * H LYS 66 + HG3 LYS 66 OK 100 100 100 100 3.6-3.8 7072/1.8=86, 7070/3.0=69...(24) H SER 9 - HG3 LYS 33 far 0 73 0 - 5.3-5.4 HE ARG 30 - HG3 LYS 33 far 0 71 0 - 7.7-13.1 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 2.9-3.2 3.7=80, 3.0/7072=59...(25) * HA LYS 66 + HG3 LYS 66 OK 95 100 95 100 3.7-3.8 3.7=80, 2942/2.9=53...(26) 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 6 assignments used, quality = 1.00: * HB2 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.4-2.5 3.0=100 HB2 LYS 66 + HG2 LYS 66 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 GLU 63 - HG2 LYS 66 far 0 98 0 - 6.4-7.5 HB3 GLU 63 - HG3 LYS 66 far 0 98 0 - 6.8-7.7 HB ILE 15 - HG3 LYS 33 far 0 41 0 - 8.6-9.1 HB2 LYS 39 - HG3 LYS 66 far 0 73 0 - 9.1-11.1 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 10 assignments used, quality = 1.00: * HB3 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.4-2.5 3.0=100 HB3 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.4-2.5 3.0=100 HB ILE 8 - HG3 LYS 33 far 0 45 0 - 7.9-8.5 HB3 LYS 68 - HG2 LYS 66 far 0 99 0 - 8.5-8.8 HB3 LYS 39 - HG3 LYS 66 far 0 100 0 - 8.6-11.6 HB2 LYS 68 - HG2 LYS 66 far 0 88 0 - 9.3-9.5 HB3 LYS 39 - HG2 LYS 66 far 0 100 0 - 9.6-12.6 HB ILE 8 - HG2 LYS 66 far 0 69 0 - 9.7-10.8 HB3 LYS 68 - HG3 LYS 66 far 0 99 0 - 9.7-9.9 HB ILE 8 - HG3 LYS 66 far 0 70 0 - 9.7-10.5 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; 2.55 A increased from 2.40 A): 2 out of 5 assignments used, quality = 0.93: * HD2 LYS 66 + HG3 LYS 66 OK 87 100 100 87 2.2-2.5 2.9=65, 2932/3.0=14...(16) HD2 LYS 66 + HG2 LYS 66 OK 48 100 55 88 2.4-3.0 2.9=65, 7073/7072=14...(17) HB2 ARG 30 - HG3 LYS 33 far 0 76 0 - 8.2-8.5 HG3 LYS 12 - HG3 LYS 33 far 0 74 0 - 9.4-10.9 HG2 ARG 19 - HG3 LYS 33 far 0 68 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 2926 from cnoeabs.peaks (1.70, 1.49, 24.58 ppm; 2.77 A increased from 2.61 A): 4 out of 15 assignments used, quality = 1.00: HD3 LYS 66 + HG2 LYS 66 OK 97 100 100 97 2.4-2.9 2.9=83, 2943/3.0=33...(16) * HD3 LYS 66 + HG3 LYS 66 OK 96 100 100 96 2.8-3.0 2.9=83, 2943/3.0=33...(16) HD2 LYS 33 + HG3 LYS 33 OK 60 61 100 99 2.7-3.0 3.0=82, 1483/1.8=42...(47) HD3 LYS 33 + HG3 LYS 33 OK 60 61 100 99 2.3-3.0 3.0=82, ~1483=26...(48) HG LEU 70 - HG3 LYS 66 far 0 100 0 - 5.3-6.1 HG LEU 70 - HG2 LYS 66 far 0 100 0 - 5.6-6.5 HG12 ILE 15 - HG3 LYS 33 far 0 74 0 - 6.3-8.1 HD2 LYS 12 - HG3 LYS 33 far 0 76 0 - 7.6-10.8 HB3 LEU 70 - HG3 LYS 66 far 0 97 0 - 8.0-8.6 HD3 LYS 12 - HG3 LYS 33 far 0 76 0 - 8.1-10.5 HB3 LEU 70 - HG2 LYS 66 far 0 97 0 - 8.4-9.1 HB ILE 15 - HG3 LYS 33 far 0 54 0 - 8.6-9.1 HD2 LYS 73 - HG2 LYS 66 far 0 69 0 - 9.4-12.9 HD2 LYS 73 - HG3 LYS 66 far 0 70 0 - 9.6-12.5 HD3 LYS 73 - HG2 LYS 66 far 0 65 0 - 9.9-13.4 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 + HG2 LYS 66 OK 100 100 100 100 2.2-3.8 3.6=100 HE3 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.3-3.8 3.6=100 * HE2 LYS 66 + HG3 LYS 66 OK 80 100 80 100 2.4-4.1 3.6=100 HE3 LYS 66 + HG2 LYS 66 OK 80 100 80 100 2.1-4.2 3.6=100 HE3 LYS 68 - HG2 LYS 66 far 0 97 0 - 6.9-10.2 HB2 ASN 60 - HG2 LYS 66 far 0 100 0 - 7.2-8.3 HE2 LYS 68 - HG2 LYS 66 far 0 96 0 - 7.5-10.3 HB2 ASN 60 - HG3 LYS 66 far 0 100 0 - 7.6-8.5 HE3 LYS 39 - HG3 LYS 66 far 0 94 0 - 8.4-11.3 HB2 ASN 10 - HG3 LYS 33 far 0 47 0 - 8.6-9.2 HE3 LYS 68 - HG3 LYS 66 far 0 98 0 - 8.6-11.8 HE2 LYS 39 - HG3 LYS 66 far 0 87 0 - 9.0-11.1 HE2 LYS 68 - HG3 LYS 66 far 0 96 0 - 9.2-11.7 HE3 LYS 39 - HG2 LYS 66 far 0 94 0 - 9.4-12.6 HE2 LYS 39 - HG2 LYS 66 far 0 87 0 - 10.0-12.3 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 2.3-3.8 3.6=100 HE2 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.2-3.8 3.6=100 HE3 LYS 66 + HG2 LYS 66 OK 80 100 80 100 2.1-4.2 3.6=100 HE2 LYS 66 + HG3 LYS 66 OK 80 100 80 100 2.4-4.1 3.6=100 HE3 LYS 68 - HG2 LYS 66 far 0 100 0 - 6.9-10.2 HB2 ASN 60 - HG2 LYS 66 far 0 99 0 - 7.2-8.3 HE2 LYS 68 - HG2 LYS 66 far 0 99 0 - 7.5-10.3 HB2 ASN 60 - HG3 LYS 66 far 0 99 0 - 7.6-8.5 HE3 LYS 39 - HG3 LYS 66 far 0 87 0 - 8.4-11.3 HB2 ASN 10 - HG3 LYS 33 far 0 55 0 - 8.6-9.2 HE3 LYS 68 - HG3 LYS 66 far 0 100 0 - 8.6-11.8 HE2 LYS 39 - HG3 LYS 66 far 0 77 0 - 9.0-11.1 HE2 LYS 68 - HG3 LYS 66 far 0 99 0 - 9.2-11.7 HE3 LYS 39 - HG2 LYS 66 far 0 87 0 - 9.4-12.6 HE2 LYS 39 - HG2 LYS 66 far 0 77 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 2929 from cnoeabs.peaks (8.48, 1.49, 24.58 ppm; 4.62 A): 2 out of 5 assignments used, quality = 1.00: H ALA 67 + HG2 LYS 66 OK 100 100 100 100 4.2-4.6 7077/7072=87...(17) H VAL 32 + HG3 LYS 33 OK 75 76 100 99 4.3-4.6 10146=76, 3.0/10145=66...(6) ! H ALA 67 - HG3 LYS 66 far 0 100 0 - 5.0-5.2 H THR 31 - HG3 LYS 33 far 0 68 0 - 6.7-6.8 H ILE 7 - HG3 LYS 33 far 0 62 0 - 8.0-8.3 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 6 assignments used, quality = 1.00: * H LYS 66 + HD2 LYS 66 OK 100 100 100 100 4.2-4.8 7073=100, 7074/1.8=97...(32) H LYS 20 + HG2 ARG 19 OK 84 84 100 100 4.0-5.1 4.9=100 HE ARG 30 - HG2 ARG 19 far 0 82 0 - 7.2-12.3 H SER 9 - HG2 ARG 19 far 0 84 0 - 8.8-10.5 H LYS 73 - HD2 LYS 66 far 0 59 0 - 9.0-11.0 H GLU 28 - HG2 ARG 19 far 0 86 0 - 10.0-12.9 Violated in 0 structures by 0.00 A. Peak 2931 from cnoeabs.peaks (4.08, 1.60, 27.82 ppm; 4.09 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 66 + HD2 LYS 66 OK 100 100 100 100 2.8-3.6 2942/1.8=88, 2876=56...(44) HA GLU 16 + HG2 ARG 19 OK 33 56 65 92 2.4-4.9 6280/6287=41, 798/3.0=33...(16) HA LYS 20 - HG2 ARG 19 far 0 67 0 - 6.1-6.5 HA GLU 17 - HG2 ARG 19 far 0 68 0 - 6.2-8.5 HA PRO 86 - HG2 ARG 19 far 0 82 0 - 9.3-11.5 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 7 assignments used, quality = 0.95: HG3 ARG 19 + HG2 ARG 19 OK 86 86 100 100 1.8-1.8 1.8=100 * HB2 LYS 66 + HD2 LYS 66 OK 65 100 65 99 2.4-3.7 3.6=59, 2943/1.8=54...(41) HB ILE 15 - HG2 ARG 19 far 0 49 0 - 4.1-7.0 HB2 LYS 39 - HD2 LYS 66 far 0 73 0 - 8.0-12.3 HB3 GLU 63 - HD2 LYS 66 far 0 98 0 - 8.8-9.7 HB2 GLU 28 - HG2 ARG 19 far 0 70 0 - 9.2-12.2 HB ILE 93 - HG2 ARG 19 far 0 49 0 - 9.6-10.7 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 10 assignments used, quality = 0.81: HB2 ARG 19 + HG2 ARG 19 OK 59 59 100 100 2.3-3.0 3.0=100 * HB3 LYS 66 + HD2 LYS 66 OK 55 100 55 100 3.7-4.2 3.6=100 HB2 LYS 20 - HG2 ARG 19 far 0 64 0 - 6.4-8.4 HB VAL 5 - HG2 ARG 19 far 0 87 0 - 7.0-9.2 HB2 LYS 12 - HG2 ARG 19 far 0 87 0 - 7.1-9.8 HB3 LYS 39 - HD2 LYS 66 far 0 100 0 - 7.3-12.5 HB3 LYS 12 - HG2 ARG 19 far 0 86 0 - 8.6-11.4 HB3 LYS 68 - HD2 LYS 66 far 0 99 0 - 9.6-10.4 HB3 LEU 57 - HG2 ARG 19 far 0 49 0 - 9.8-10.4 HB2 LYS 68 - HD2 LYS 66 far 0 88 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 2934 from cnoeabs.peaks (1.49, 1.60, 27.82 ppm; 2.96 A): 2 out of 14 assignments used, quality = 1.00: * HG2 LYS 66 + HD2 LYS 66 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 LYS 66 + HD2 LYS 66 OK 100 100 100 100 2.2-2.5 2.9=100 HG2 LYS 20 - HG2 ARG 19 far 0 54 0 - 5.8-7.8 HB ILE 7 - HG2 ARG 19 far 0 59 0 - 5.8-6.6 HG2 LYS 73 - HD2 LYS 66 far 0 100 0 - 7.1-9.7 HB2 LEU 38 - HD2 LYS 66 far 0 65 0 - 7.2-10.3 HG3 ARG 30 - HG2 ARG 19 far 0 45 0 - 7.3-11.5 HG LEU 38 - HD2 LYS 66 far 0 73 0 - 7.6-9.8 HB2 LEU 27 - HG2 ARG 19 far 0 54 0 - 9.0-11.5 HB2 LEU 14 - HG2 ARG 19 far 0 59 0 - 9.2-11.8 HG LEU 6 - HG2 ARG 19 far 0 54 0 - 9.3-11.9 HG LEU 64 - HD2 LYS 66 far 0 99 0 - 9.5-10.2 HG3 LYS 13 - HG2 ARG 19 far 0 86 0 - 9.7-13.3 HG3 LYS 33 - HG2 ARG 19 far 0 82 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 2935 from cnoeabs.peaks (1.49, 1.60, 27.82 ppm; 2.96 A): 2 out of 14 assignments used, quality = 1.00: * HG3 LYS 66 + HD2 LYS 66 OK 100 100 100 100 2.2-2.5 2.9=100 HG2 LYS 66 + HD2 LYS 66 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 LYS 20 - HG2 ARG 19 far 0 50 0 - 5.8-7.8 HB ILE 7 - HG2 ARG 19 far 0 62 0 - 5.8-6.6 HG2 LYS 73 - HD2 LYS 66 far 0 100 0 - 7.1-9.7 HB2 LEU 38 - HD2 LYS 66 far 0 61 0 - 7.2-10.3 HG3 ARG 30 - HG2 ARG 19 far 0 49 0 - 7.3-11.5 HG LEU 38 - HD2 LYS 66 far 0 70 0 - 7.6-9.8 HB2 LEU 27 - HG2 ARG 19 far 0 50 0 - 9.0-11.5 HB2 LEU 14 - HG2 ARG 19 far 0 62 0 - 9.2-11.8 HG LEU 6 - HG2 ARG 19 far 0 57 0 - 9.3-11.9 HG LEU 64 - HD2 LYS 66 far 0 98 0 - 9.5-10.2 HG3 LYS 13 - HG2 ARG 19 far 0 86 0 - 9.7-13.3 HG3 LYS 33 - HG2 ARG 19 far 0 83 0 - 10.0-10.9 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 17 assignments used, quality = 1.00: * HD3 LYS 66 + HD2 LYS 66 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 70 - HD2 LYS 66 far 0 100 0 - 3.5-6.2 HB ILE 15 - HG2 ARG 19 far 0 64 0 - 4.1-7.0 HD3 LYS 20 - HG2 ARG 19 far 0 65 0 - 4.4-9.2 HG3 LYS 20 - HG2 ARG 19 far 0 65 0 - 4.9-8.0 HG12 ILE 15 - HG2 ARG 19 far 0 85 0 - 5.2-7.2 HD2 LYS 20 - HG2 ARG 19 far 0 70 0 - 5.2-8.4 HD3 LYS 12 - HG2 ARG 19 far 0 87 0 - 5.6-11.5 HB3 LEU 70 - HD2 LYS 66 far 0 97 0 - 6.4-9.2 HD2 LYS 12 - HG2 ARG 19 far 0 87 0 - 6.7-10.0 HD2 LYS 73 - HD2 LYS 66 far 0 70 0 - 7.2-11.6 HD3 LYS 73 - HD2 LYS 66 far 0 65 0 - 7.9-12.4 HD3 LYS 13 - HG2 ARG 19 far 0 87 0 - 8.8-14.6 HD3 LYS 90 - HG2 ARG 19 far 0 86 0 - 9.5-11.7 HD2 LYS 13 - HG2 ARG 19 far 0 87 0 - 9.5-15.1 HD2 LYS 24 - HG2 ARG 19 far 0 86 0 - 9.7-13.2 HD3 LYS 24 - HG2 ARG 19 far 0 86 0 - 9.7-14.3 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 2.3-3.0 2.9=100 HE3 LYS 66 + HD2 LYS 66 OK 100 100 100 100 2.3-3.0 2.9=100 HE2 LYS 20 - HG2 ARG 19 far 0 78 0 - 5.2-10.0 HE3 LYS 39 - HD2 LYS 66 far 0 94 0 - 6.6-12.2 HE3 LYS 20 - HG2 ARG 19 far 0 77 0 - 6.7-9.8 HE2 LYS 39 - HD2 LYS 66 far 0 87 0 - 7.3-11.6 HE3 LYS 68 - HD2 LYS 66 far 0 98 0 - 8.0-11.9 HE2 LYS 68 - HD2 LYS 66 far 0 96 0 - 8.7-12.0 HB2 ASN 60 - HD2 LYS 66 far 0 100 0 - 9.3-10.8 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 2.3-3.0 2.9=100 HE2 LYS 66 + HD2 LYS 66 OK 100 100 100 100 2.3-3.0 2.9=100 HE2 LYS 20 - HG2 ARG 19 far 0 83 0 - 5.2-10.0 HE3 LYS 39 - HD2 LYS 66 far 0 87 0 - 6.6-12.2 HE3 LYS 20 - HG2 ARG 19 far 0 82 0 - 6.7-9.8 HE2 LYS 39 - HD2 LYS 66 far 0 77 0 - 7.3-11.6 HE3 LYS 68 - HD2 LYS 66 far 0 100 0 - 8.0-11.9 HE2 LYS 68 - HD2 LYS 66 far 0 99 0 - 8.7-12.0 HG2 MET 21 - HG2 ARG 19 far 0 45 0 - 8.9-10.7 HE3 LYS 90 - HG2 ARG 19 far 0 52 0 - 9.3-11.7 HB2 ASN 60 - HD2 LYS 66 far 0 99 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 2940 from cnoeabs.peaks (8.48, 1.60, 27.82 ppm; 6.50 A increased from 6.22 A): 1 out of 5 assignments used, quality = 1.00: * H ALA 67 + HD2 LYS 66 OK 100 100 100 100 5.6-6.3 7090=100, 7087/3.6=99...(17) H LEU 29 - HG2 ARG 19 poor 16 62 35 72 5.7-8.8 4.8/8518=48...(3) H THR 31 - HG2 ARG 19 poor 12 79 35 44 5.9-8.3 12050/8518=36...(3) H ILE 7 - HG2 ARG 19 far 7 72 10 - 6.5-7.9 H VAL 32 - HG2 ARG 19 far 0 87 0 - 8.0-9.0 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 3.3-3.9 7074=100, 7072/2.9=97...(29) H LYS 73 - HD3 LYS 66 far 0 59 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 2942 from cnoeabs.peaks (4.08, 1.70, 27.82 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 66 + HD3 LYS 66 OK 100 100 100 100 2.0-2.0 2877=64, 3.0/2943=54...(43) Violated in 0 structures by 0.00 A. Peak 2943 from cnoeabs.peaks (1.77, 1.70, 27.82 ppm; 3.54 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 66 + HD3 LYS 66 OK 100 100 100 100 2.5-3.1 3.6=94, 3.0/2942=54...(39) HB2 LYS 39 - HD3 LYS 66 far 0 73 0 - 8.6-11.7 HB3 GLU 63 - HD3 LYS 66 far 0 98 0 - 8.7-9.6 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 4 assignments used, quality = 1.00: * HB3 LYS 66 + HD3 LYS 66 OK 100 100 100 100 3.5-3.8 3.6=100 HB3 LYS 39 - HD3 LYS 66 far 0 100 0 - 8.3-11.9 HB3 LYS 68 - HD3 LYS 66 far 0 99 0 - 8.4-8.9 HB2 LYS 68 - HD3 LYS 66 far 0 88 0 - 8.8-9.2 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 - 6.7-8.4 HB2 LEU 38 - HD3 LYS 66 far 0 65 0 - 7.9-9.7 HG LEU 38 - HD3 LYS 66 far 0 73 0 - 7.9-8.9 HG LEU 64 - HD3 LYS 66 far 0 99 0 - 8.3-9.0 HB3 LEU 64 - HD3 LYS 66 far 0 100 0 - 9.3-10.0 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 - 6.7-8.4 HB2 LEU 38 - HD3 LYS 66 far 0 61 0 - 7.9-9.7 HG LEU 38 - HD3 LYS 66 far 0 70 0 - 7.9-8.9 HG LEU 64 - HD3 LYS 66 far 0 98 0 - 8.3-9.0 HB3 LEU 64 - HD3 LYS 66 far 0 100 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 2947 from cnoeabs.peaks (1.60, 1.70, 27.82 ppm; 2.49 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 66 + HD3 LYS 66 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 73 - HD3 LYS 66 far 0 100 0 - 7.9-9.7 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 2.3-3.0 2.9=100 HE3 LYS 66 + HD3 LYS 66 OK 100 100 100 100 2.3-3.0 2.9=100 HE3 LYS 68 - HD3 LYS 66 far 0 98 0 - 6.6-10.5 HE2 LYS 68 - HD3 LYS 66 far 0 96 0 - 7.4-10.5 HE3 LYS 39 - HD3 LYS 66 far 0 94 0 - 7.9-11.8 HE2 LYS 39 - HD3 LYS 66 far 0 87 0 - 8.1-11.2 HB2 ASN 60 - HD3 LYS 66 far 0 100 0 - 9.7-10.6 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 2.3-3.0 2.9=100 HE2 LYS 66 + HD3 LYS 66 OK 100 100 100 100 2.3-3.0 2.9=100 HE3 LYS 68 - HD3 LYS 66 far 0 100 0 - 6.6-10.5 HE2 LYS 68 - HD3 LYS 66 far 0 99 0 - 7.4-10.5 HE3 LYS 39 - HD3 LYS 66 far 0 87 0 - 7.9-11.8 HE2 LYS 39 - HD3 LYS 66 far 0 77 0 - 8.1-11.2 HB2 ASN 60 - HD3 LYS 66 far 0 99 0 - 9.7-10.6 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 5.0-5.3 7077/7074=94...(15) Violated in 0 structures by 0.00 A. Peak 2952 from cnoeabs.peaks (7.80, 2.90, 41.80 ppm; 5.39 A increased from 4.54 A): 5 out of 18 assignments used, quality = 1.00: * H LYS 66 + HE2 LYS 66 OK 100 100 100 100 4.2-5.7 7072/3.6=93, 7074/2.9=92...(26) H LYS 66 + HE3 LYS 66 OK 89 99 90 100 2.7-5.8 7071/3.6=93, 7074/2.9=92...(25) H LYS 20 + HE2 LYS 20 OK 86 86 100 100 3.1-5.5 6309/3.6=86, 893/3.6=82...(13) H LYS 20 + HE3 LYS 20 OK 84 84 100 100 4.1-5.6 6309/3.6=86, 893/3.6=82...(15) H LYS 66 + HE3 LYS 68 OK 27 95 40 71 5.3-8.3 7101/7.2=36...(8) H LYS 66 - HE2 LYS 68 far 9 92 10 - 5.6-8.2 H LYS 73 - HE2 LYS 39 far 0 36 0 - 6.9-10.0 H GLU 99 - HE2 LYS 94 far 0 69 0 - 7.0-10.6 H GLU 99 - HE3 LYS 94 far 0 89 0 - 7.1-10.3 H TYR 41 - HE3 LYS 39 far 0 74 0 - 7.5-9.0 H LYS 73 - HE3 LYS 68 far 0 52 0 - 7.8-10.3 H LYS 73 - HE3 LYS 39 far 0 45 0 - 8.0-10.6 H TYR 41 - HE2 LYS 39 far 0 61 0 - 8.1-9.4 H LYS 73 - HE2 LYS 68 far 0 49 0 - 8.2-11.0 H LYS 73 - HE2 LYS 66 far 0 59 0 - 8.3-11.8 H ASN 26 - HE3 LYS 94 far 0 50 0 - 8.4-13.7 H LYS 73 - HE3 LYS 66 far 0 58 0 - 8.4-11.8 H ASN 26 - HE2 LYS 94 far 0 36 0 - 9.1-13.9 Violated in 0 structures by 0.00 A. Peak 2953 from cnoeabs.peaks (4.08, 2.90, 41.80 ppm; 4.43 A increased from 3.94 A): 5 out of 18 assignments used, quality = 1.00: * HA LYS 66 + HE2 LYS 66 OK 100 100 100 100 2.5-4.5 2942/2.9=79, 2931/2.9=52...(45) HA LYS 66 + HE3 LYS 66 OK 94 99 95 100 2.5-4.8 2942/2.9=79, 2931/2.9=52...(47) HA GLU 17 + HE3 LYS 20 OK 37 68 80 68 2.6-5.4 916/3.0=13, 2878=12...(14) HA GLU 17 + HE2 LYS 20 OK 26 70 55 68 2.0-5.6 916/3.0=13, 916/3.0=12...(14) HA LYS 20 + HE2 LYS 20 OK 21 69 30 100 4.2-6.1 848/3.6=57, 6.3=34...(87) HA GLU 16 - HE2 LYS 20 poor 14 57 25 - 3.2-6.7 HA LYS 20 - HE3 LYS 20 far 7 67 10 - 2.7-6.2 HA GLU 16 - HE3 LYS 20 far 3 56 5 - 4.6-7.5 HA LYS 66 - HE3 LYS 68 far 0 95 0 - 5.8-8.8 HA LYS 66 - HE2 LYS 68 far 0 92 0 - 6.7-8.7 HA LYS 24 - HE3 LYS 94 far 0 75 0 - 7.6-13.5 HA PRO 86 - HE2 LYS 20 far 0 84 0 - 7.7-11.6 HA LYS 24 - HE3 LYS 20 far 0 71 0 - 7.9-12.1 HA LYS 66 - HE3 LYS 39 far 0 87 0 - 7.9-11.0 HA LYS 66 - HE2 LYS 39 far 0 73 0 - 8.2-10.6 HA PRO 86 - HE3 LYS 20 far 0 83 0 - 8.7-12.0 HA LYS 24 - HE2 LYS 94 far 0 56 0 - 8.9-13.2 HA LYS 24 - HE2 LYS 20 far 0 73 0 - 9.2-11.8 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 33 assignments used, quality = 0.96: HB2 LYS 66 + HE3 LYS 66 OK 74 99 75 100 2.0-4.8 2943/2.9=70, 4.7=64...(31) HB2 LYS 39 + HE3 LYS 39 OK 57 57 100 100 2.2-3.5 4.9=56, 1686/3.0=35...(58) HB2 LYS 39 + HE2 LYS 39 OK 46 46 100 100 2.7-4.0 4.9=56, 1686/3.0=35...(61) * HB2 LYS 66 + HE2 LYS 66 OK 35 100 35 100 2.0-4.8 2943/2.9=70, 4.7=64...(32) HD2 LYS 90 - HE2 LYS 20 far 0 67 0 - 6.0-11.8 HB ILE 56 - HE3 LYS 68 far 0 94 0 - 6.2-9.8 HG3 ARG 19 - HE2 LYS 20 far 0 88 0 - 6.6-9.4 HB ILE 56 - HE2 LYS 68 far 0 92 0 - 6.7-10.1 HB2 LYS 66 - HE3 LYS 39 far 0 87 0 - 6.8-9.7 HB ILE 93 - HE3 LYS 94 far 0 52 0 - 6.9-8.8 HB ILE 15 - HE2 LYS 20 far 0 50 0 - 6.9-10.7 HB ILE 93 - HE2 LYS 94 far 0 38 0 - 7.0-9.1 HB2 LYS 66 - HE2 LYS 39 far 0 73 0 - 7.2-9.5 HD2 LYS 90 - HE3 LYS 20 far 0 65 0 - 7.3-11.3 HD2 LYS 90 - HE2 LYS 94 far 0 51 0 - 7.4-11.9 HB2 LYS 39 - HE3 LYS 66 far 0 71 0 - 7.7-12.9 HG3 ARG 19 - HE3 LYS 20 far 0 86 0 - 7.9-9.7 HD2 LYS 90 - HE3 LYS 94 far 0 69 0 - 8.0-11.8 HB2 LYS 39 - HE2 LYS 66 far 0 73 0 - 8.0-12.9 HB3 GLU 63 - HE3 LYS 66 far 0 97 0 - 8.0-10.8 HB2 LYS 66 - HE3 LYS 68 far 0 95 0 - 8.0-10.9 HB3 LYS 82 - HE3 LYS 68 far 0 94 0 - 8.1-11.7 HB ILE 15 - HE3 LYS 20 far 0 49 0 - 8.3-11.4 HB VAL 78 - HE2 LYS 68 far 0 86 0 - 8.4-11.7 HB3 LYS 82 - HE2 LYS 68 far 0 92 0 - 8.4-12.2 HB3 GLU 63 - HE3 LYS 68 far 0 91 0 - 8.4-12.0 HB VAL 78 - HE3 LYS 68 far 0 89 0 - 8.5-11.5 HG3 ARG 46 - HE2 LYS 39 far 0 61 0 - 8.6-12.9 HB2 LYS 66 - HE2 LYS 68 far 0 92 0 - 8.7-10.6 HB3 GLU 63 - HE2 LYS 66 far 0 98 0 - 8.8-10.8 HB ILE 93 - HE2 LYS 20 far 0 50 0 - 9.0-12.4 HB3 GLU 63 - HE2 LYS 68 far 0 88 0 - 9.1-12.0 HB ILE 93 - HE3 LYS 20 far 0 49 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 2955 from cnoeabs.peaks (1.86, 2.90, 41.80 ppm; 3.48 A): 9 out of 34 assignments used, quality = 1.00: HB3 LYS 39 + HE3 LYS 39 OK 86 87 100 99 2.0-3.4 4.9=35, ~1686=24...(38) HB3 LYS 39 + HE2 LYS 39 OK 51 73 70 99 2.0-4.3 4.9=35, ~1686=24...(39) HB3 LYS 68 + HE3 LYS 68 OK 49 92 55 98 2.0-4.5 5.0=34, 3014/3.6=19...(60) HB3 LYS 68 + HE2 LYS 68 OK 48 89 55 98 2.3-4.9 5.0=34, 3014/3.6=19...(60) HB2 LYS 68 + HE3 LYS 68 OK 46 79 60 97 2.3-4.6 5.0=34, 3002/3.0=13...(63) HB2 LYS 68 + HE2 LYS 68 OK 37 76 50 98 2.0-4.9 5.0=34, 3002/3.0=13...(63) HB2 LYS 20 + HE2 LYS 20 OK 34 65 55 96 2.3-5.5 4.7=40, 4.0/6313=11...(67) HB2 LYS 20 + HE3 LYS 20 OK 34 64 55 96 2.0-4.7 4.7=40, 3018/1.8=12...(69) * HB3 LYS 66 + HE2 LYS 66 OK 25 100 25 99 3.6-5.5 4.7=40, ~2943=31...(33) HB3 LYS 66 - HE3 LYS 66 far 5 99 5 - 3.6-5.5 HB2 ARG 19 - HE2 LYS 20 far 0 61 0 - 5.3-8.3 HB2 ARG 19 - HE3 LYS 20 far 0 59 0 - 5.7-8.5 HB3 LYS 90 - HE2 LYS 94 far 0 51 0 - 6.0-9.1 HB3 LYS 90 - HE3 LYS 94 far 0 69 0 - 6.1-9.0 HB3 LYS 90 - HE2 LYS 20 far 0 67 0 - 6.2-11.7 HB2 LYS 12 - HE2 LYS 20 far 0 88 0 - 6.8-11.1 HB3 LYS 39 - HE2 LYS 66 far 0 100 0 - 7.0-13.5 HG LEU 42 - HE2 LYS 39 far 0 42 0 - 7.2-9.6 HB3 LYS 39 - HE3 LYS 66 far 0 99 0 - 7.3-12.6 HB3 LYS 90 - HE3 LYS 20 far 0 65 0 - 7.3-11.2 HG LEU 42 - HE3 LYS 39 far 0 52 0 - 7.4-9.2 HB3 LYS 66 - HE3 LYS 68 far 0 95 0 - 7.6-10.3 HB3 LYS 66 - HE2 LYS 68 far 0 92 0 - 7.9-10.0 HB3 LYS 68 - HE3 LYS 66 far 0 98 0 - 7.9-11.4 HB2 LYS 12 - HE3 LYS 20 far 0 87 0 - 7.9-12.2 HB2 LYS 68 - HE3 LYS 66 far 0 86 0 - 8.2-11.9 HB3 LYS 66 - HE3 LYS 39 far 0 87 0 - 8.5-11.3 HB3 LYS 12 - HE2 LYS 20 far 0 88 0 - 8.6-12.7 HB3 LYS 66 - HE2 LYS 39 far 0 73 0 - 8.9-11.1 HB3 LYS 68 - HE2 LYS 66 far 0 99 0 - 9.1-11.1 HB2 LYS 68 - HE2 LYS 66 far 0 88 0 - 9.3-11.5 HB3 LYS 12 - HE3 LYS 20 far 0 86 0 - 9.5-13.7 HG2 ARG 46 - HE2 LYS 39 far 0 41 0 - 9.7-13.3 HB3 GLU 104 - HE2 LYS 68 far 0 90 0 - 9.7-30.5 Violated in 0 structures by 0.00 A. Peak 2956 from cnoeabs.peaks (1.49, 2.90, 41.80 ppm; 3.84 A increased from 3.41 A): 8 out of 56 assignments used, quality = 1.00: * HG2 LYS 66 + HE2 LYS 66 OK 100 100 100 100 2.2-3.8 3.6=100 HG3 LYS 66 + HE2 LYS 66 OK 100 100 100 100 2.4-4.1 3.6=100 HG3 LYS 66 + HE3 LYS 66 OK 99 99 100 100 2.3-3.8 3.6=100 HG2 LYS 66 + HE3 LYS 66 OK 80 99 80 100 2.1-4.2 3.6=100 HG2 LYS 20 + HE2 LYS 20 OK 55 55 100 100 2.1-3.8 3.6=100 HG2 LYS 20 + HE3 LYS 20 OK 54 54 100 100 2.3-4.0 3.6=100 HG LEU 64 + HE2 LYS 68 OK 50 88 60 95 2.2-5.6 ~10264=34, ~11010=32...(22) HG LEU 64 + HE3 LYS 68 OK 35 91 40 95 2.0-5.7 ~10264=34, ~11010=32...(21) HB2 ARG 91 - HE3 LYS 94 far 9 90 10 - 3.5-9.2 HG3 ARG 91 - HE2 LYS 94 far 5 35 15 - 3.2-9.3 HG3 ARG 91 - HE3 LYS 94 far 5 48 10 - 2.1-9.5 HB2 ARG 91 - HE2 LYS 94 far 4 70 5 - 3.7-9.3 HG2 LYS 73 - HE2 LYS 39 far 0 73 0 - 4.8-8.5 HB3 LEU 64 - HE3 LYS 68 far 0 94 0 - 4.8-8.6 HB3 LEU 64 - HE2 LYS 68 far 0 92 0 - 5.1-8.6 HB2 LEU 38 - HE3 LYS 39 far 0 50 0 - 5.5-8.2 HB2 LEU 38 - HE2 LYS 39 far 0 41 0 - 5.6-8.3 HG2 LYS 73 - HE3 LYS 39 far 0 87 0 - 6.0-9.5 HG3 LYS 24 - HE2 LYS 94 far 0 63 0 - 6.1-13.0 HG2 LYS 73 - HE3 LYS 66 far 0 99 0 - 6.6-10.5 HG2 LYS 73 - HE2 LYS 66 far 0 100 0 - 6.7-10.3 HG3 LYS 24 - HE3 LYS 20 far 0 78 0 - 6.7-11.3 HG2 LYS 66 - HE3 LYS 68 far 0 95 0 - 6.9-10.2 HB2 LEU 38 - HE2 LYS 66 far 0 65 0 - 7.1-11.0 HG3 LYS 24 - HE3 LYS 94 far 0 82 0 - 7.1-13.2 HD2 LYS 82 - HE2 LYS 68 far 0 62 0 - 7.3-11.3 HB2 LEU 38 - HE3 LYS 66 far 0 64 0 - 7.3-10.6 HG LEU 64 - HE3 LYS 66 far 0 97 0 - 7.4-11.1 HD2 LYS 82 - HE3 LYS 68 far 0 65 0 - 7.4-11.3 HG LEU 38 - HE2 LYS 66 far 0 73 0 - 7.4-10.8 HG LEU 38 - HE3 LYS 39 far 0 57 0 - 7.4-9.4 HG LEU 38 - HE3 LYS 66 far 0 71 0 - 7.5-10.7 HG2 LYS 66 - HE2 LYS 68 far 0 92 0 - 7.5-10.3 HG LEU 38 - HE2 LYS 39 far 0 46 0 - 7.6-9.7 HG3 LYS 24 - HE2 LYS 20 far 0 80 0 - 7.7-11.0 HG12 ILE 56 - HE3 LYS 68 far 0 50 0 - 8.1-11.5 HD2 LYS 40 - HE3 LYS 39 far 0 65 0 - 8.3-10.1 HG3 LYS 13 - HE3 LYS 20 far 0 86 0 - 8.3-12.3 HB3 LEU 64 - HE3 LYS 66 far 0 99 0 - 8.4-11.9 HG3 LYS 66 - HE3 LYS 39 far 0 87 0 - 8.4-11.3 HG12 ILE 56 - HE2 LYS 68 far 0 48 0 - 8.6-11.9 HG3 LYS 66 - HE3 LYS 68 far 0 94 0 - 8.6-11.8 HD3 LYS 40 - HE3 LYS 39 far 0 67 0 - 8.8-11.3 HG2 LYS 73 - HE3 LYS 68 far 0 94 0 - 8.9-12.0 HG LEU 64 - HE2 LYS 66 far 0 99 0 - 8.9-10.8 HG2 LYS 73 - HE2 LYS 68 far 0 92 0 - 8.9-12.4 HG3 LYS 13 - HE2 LYS 20 far 0 88 0 - 9.0-11.8 HG3 LYS 66 - HE2 LYS 39 far 0 73 0 - 9.0-11.1 HB2 LEU 14 - HE2 LYS 20 far 0 61 0 - 9.1-12.9 HD2 LYS 40 - HE2 LYS 39 far 0 53 0 - 9.1-11.1 HG3 LYS 66 - HE2 LYS 68 far 0 92 0 - 9.2-11.7 HG LEU 38 - HE3 LYS 68 far 0 65 0 - 9.3-12.6 HG2 LYS 66 - HE3 LYS 39 far 0 87 0 - 9.4-12.6 HB3 LEU 64 - HE2 LYS 66 far 0 100 0 - 9.8-11.8 HB ILE 7 - HE2 LYS 20 far 0 61 0 - 10.0-13.3 HG2 LYS 66 - HE2 LYS 39 far 0 73 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 2957 from cnoeabs.peaks (1.49, 2.90, 41.80 ppm; 3.84 A increased from 3.41 A): 8 out of 54 assignments used, quality = 1.00: * HG3 LYS 66 + HE2 LYS 66 OK 100 100 100 100 2.4-4.1 3.6=100 HG2 LYS 66 + HE2 LYS 66 OK 100 100 100 100 2.2-3.8 3.6=100 HG3 LYS 66 + HE3 LYS 66 OK 99 99 100 100 2.3-3.8 3.6=100 HG2 LYS 66 + HE3 LYS 66 OK 79 99 80 100 2.1-4.2 3.6=100 HG2 LYS 20 + HE2 LYS 20 OK 52 52 100 100 2.1-3.8 3.6=100 HG2 LYS 20 + HE3 LYS 20 OK 50 50 100 100 2.3-4.0 3.6=100 HG LEU 64 + HE2 LYS 68 OK 49 87 60 95 2.2-5.6 ~10264=34, ~11010=32...(22) HG LEU 64 + HE3 LYS 68 OK 34 90 40 95 2.0-5.7 ~10264=34, ~11010=32...(21) HB2 ARG 91 - HE3 LYS 94 far 9 89 10 - 3.5-9.2 HB2 ARG 91 - HE2 LYS 94 far 3 69 5 - 3.7-9.3 HG2 LYS 73 - HE2 LYS 39 far 0 73 0 - 4.8-8.5 HB3 LEU 64 - HE3 LYS 68 far 0 94 0 - 4.8-8.6 HB3 LEU 64 - HE2 LYS 68 far 0 92 0 - 5.1-8.6 HB2 LEU 38 - HE3 LYS 39 far 0 47 0 - 5.5-8.2 HB2 LEU 38 - HE2 LYS 39 far 0 38 0 - 5.6-8.3 HG2 LYS 73 - HE3 LYS 39 far 0 87 0 - 6.0-9.5 HG3 LYS 24 - HE2 LYS 94 far 0 64 0 - 6.1-13.0 HG2 LYS 73 - HE3 LYS 66 far 0 99 0 - 6.6-10.5 HG2 LYS 73 - HE2 LYS 66 far 0 100 0 - 6.7-10.3 HG3 LYS 24 - HE3 LYS 20 far 0 80 0 - 6.7-11.3 HG2 LYS 66 - HE3 LYS 68 far 0 94 0 - 6.9-10.2 HB2 LEU 38 - HE2 LYS 66 far 0 61 0 - 7.1-11.0 HG3 LYS 24 - HE3 LYS 94 far 0 84 0 - 7.1-13.2 HD2 LYS 82 - HE2 LYS 68 far 0 58 0 - 7.3-11.3 HB2 LEU 38 - HE3 LYS 66 far 0 60 0 - 7.3-10.6 HG LEU 64 - HE3 LYS 66 far 0 96 0 - 7.4-11.1 HD2 LYS 82 - HE3 LYS 68 far 0 61 0 - 7.4-11.3 HG LEU 38 - HE2 LYS 66 far 0 70 0 - 7.4-10.8 HG LEU 38 - HE3 LYS 39 far 0 54 0 - 7.4-9.4 HG LEU 38 - HE3 LYS 66 far 0 68 0 - 7.5-10.7 HG2 LYS 66 - HE2 LYS 68 far 0 92 0 - 7.5-10.3 HG LEU 38 - HE2 LYS 39 far 0 44 0 - 7.6-9.7 HG3 LYS 24 - HE2 LYS 20 far 0 82 0 - 7.7-11.0 HG12 ILE 56 - HE3 LYS 68 far 0 54 0 - 8.1-11.5 HD2 LYS 40 - HE3 LYS 39 far 0 62 0 - 8.3-10.1 HG3 LYS 13 - HE3 LYS 20 far 0 86 0 - 8.3-12.3 HB3 LEU 64 - HE3 LYS 66 far 0 99 0 - 8.4-11.9 HG3 LYS 66 - HE3 LYS 39 far 0 87 0 - 8.4-11.3 HG12 ILE 56 - HE2 LYS 68 far 0 51 0 - 8.6-11.9 HG3 LYS 66 - HE3 LYS 68 far 0 95 0 - 8.6-11.8 HD3 LYS 40 - HE3 LYS 39 far 0 64 0 - 8.8-11.3 HG2 LYS 73 - HE3 LYS 68 far 0 94 0 - 8.9-12.0 HG LEU 64 - HE2 LYS 66 far 0 98 0 - 8.9-10.8 HG2 LYS 73 - HE2 LYS 68 far 0 92 0 - 8.9-12.4 HG3 LYS 13 - HE2 LYS 20 far 0 88 0 - 9.0-11.8 HG3 LYS 66 - HE2 LYS 39 far 0 73 0 - 9.0-11.1 HB2 LEU 14 - HE2 LYS 20 far 0 64 0 - 9.1-12.9 HD2 LYS 40 - HE2 LYS 39 far 0 51 0 - 9.1-11.1 HG3 LYS 66 - HE2 LYS 68 far 0 92 0 - 9.2-11.7 HG LEU 38 - HE3 LYS 68 far 0 61 0 - 9.3-12.6 HG2 LYS 66 - HE3 LYS 39 far 0 87 0 - 9.4-12.6 HB3 LEU 64 - HE2 LYS 66 far 0 100 0 - 9.8-11.8 HB ILE 7 - HE2 LYS 20 far 0 64 0 - 10.0-13.3 HG2 LYS 66 - HE2 LYS 39 far 0 73 0 - 10.0-12.3 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 36 assignments used, quality = 1.00: * HD2 LYS 66 + HE2 LYS 66 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 66 + HE3 LYS 66 OK 99 99 100 100 2.3-3.0 2.9=100 HD3 LYS 94 + HE3 LYS 94 OK 90 90 100 100 2.4-3.0 3.0=100 HD2 LYS 94 + HE3 LYS 94 OK 75 75 100 100 2.2-3.0 3.0=100 HD3 LYS 94 + HE2 LYS 94 OK 71 71 100 100 2.3-3.0 3.0=100 HD2 LYS 94 + HE2 LYS 94 OK 56 56 100 100 2.4-3.0 3.0=100 HG3 LYS 90 - HE2 LYS 20 far 0 80 0 - 4.1-9.6 HG3 LYS 73 - HE2 LYS 39 far 0 73 0 - 5.0-9.8 HG2 ARG 19 - HE2 LYS 20 far 0 81 0 - 5.2-10.0 HG3 LYS 90 - HE3 LYS 20 far 0 78 0 - 5.3-9.2 HG3 LYS 73 - HE3 LYS 39 far 0 87 0 - 6.4-10.9 HG2 LYS 24 - HE3 LYS 94 far 0 84 0 - 6.5-13.1 HG2 LYS 24 - HE3 LYS 20 far 0 80 0 - 6.5-10.8 HD2 LYS 66 - HE3 LYS 39 far 0 87 0 - 6.6-12.2 HG2 ARG 19 - HE3 LYS 20 far 0 79 0 - 6.7-9.8 HG2 LYS 24 - HE2 LYS 20 far 0 82 0 - 7.0-10.6 HD2 LYS 66 - HE2 LYS 39 far 0 73 0 - 7.3-11.6 HG2 LYS 24 - HE2 LYS 94 far 0 64 0 - 7.3-12.8 HB2 ARG 79 - HE2 LYS 68 far 0 92 0 - 7.9-12.8 HG3 LYS 73 - HE2 LYS 66 far 0 100 0 - 7.9-11.8 HD2 LYS 66 - HE3 LYS 68 far 0 95 0 - 8.0-11.9 HG3 LYS 73 - HE3 LYS 66 far 0 99 0 - 8.1-12.0 HG3 LYS 90 - HE2 LYS 94 far 0 63 0 - 8.1-11.2 HG3 LYS 90 - HE3 LYS 94 far 0 82 0 - 8.2-10.9 HG3 LYS 12 - HE2 LYS 20 far 0 87 0 - 8.4-13.5 HG LEU 27 - HE3 LYS 94 far 0 90 0 - 8.5-12.8 HD2 LYS 66 - HE2 LYS 68 far 0 92 0 - 8.7-12.0 HD3 LYS 82 - HE2 LYS 68 far 0 57 0 - 8.8-12.9 HB2 ARG 79 - HE3 LYS 68 far 0 94 0 - 8.9-13.2 HG LEU 27 - HE2 LYS 94 far 0 71 0 - 9.0-13.6 HD3 LYS 82 - HE3 LYS 68 far 0 59 0 - 9.0-13.0 HG3 LYS 73 - HE2 LYS 68 far 0 92 0 - 9.1-12.5 HG3 LYS 73 - HE3 LYS 68 far 0 94 0 - 9.3-12.3 HG3 LYS 12 - HE3 LYS 20 far 0 85 0 - 9.6-14.7 HB3 LEU 29 - HE2 LYS 20 far 0 88 0 - 9.7-12.3 HB3 LEU 29 - HE3 LYS 20 far 0 86 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 2959 from cnoeabs.peaks (1.70, 2.90, 41.80 ppm; 2.98 A): 7 out of 67 assignments used, quality = 1.00: * HD3 LYS 66 + HE2 LYS 66 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 66 + HE3 LYS 66 OK 99 99 100 100 2.3-3.0 2.9=100 HD2 LYS 20 + HE2 LYS 20 OK 71 71 100 99 2.3-3.0 3.0=99, 3.5/867=7...(25) HD2 LYS 20 + HE3 LYS 20 OK 69 70 100 99 2.3-3.0 3.0=99, 3.5/867=6...(25) HD3 LYS 20 + HE2 LYS 20 OK 67 67 100 99 2.3-3.0 3.0=99, 3.5/867=7...(25) HD3 LYS 20 + HE3 LYS 20 OK 65 65 100 99 2.2-3.0 3.0=99, 3.5/867=6...(25) HG3 LYS 20 + HE2 LYS 20 OK 27 67 45 91 2.4-4.2 3.6=59, 3.0/867=8...(62) HG3 LYS 20 - HE3 LYS 20 poor 16 65 25 - 2.5-4.2 HG LEU 70 - HE2 LYS 66 far 15 100 15 - 2.9-7.0 HG LEU 70 - HE3 LYS 66 far 10 99 10 - 3.1-6.9 HB3 LEU 70 - HE2 LYS 39 far 3 68 5 - 3.2-6.4 HB3 LEU 70 - HE3 LYS 39 far 0 81 0 - 3.7-6.4 HD3 LYS 24 - HE3 LYS 94 far 0 90 0 - 4.1-12.4 HD2 LYS 73 - HE2 LYS 39 far 0 44 0 - 4.4-8.5 HD3 LYS 24 - HE3 LYS 20 far 0 86 0 - 4.4-10.9 HB3 ARG 91 - HE3 LYS 94 far 0 80 0 - 4.4-10.1 HG LEU 70 - HE2 LYS 39 far 0 73 0 - 4.6-7.0 HG LEU 70 - HE3 LYS 39 far 0 87 0 - 4.7-7.6 HD3 LYS 90 - HE2 LYS 20 far 0 88 0 - 4.7-10.7 HB3 ARG 91 - HE2 LYS 94 far 0 61 0 - 5.1-10.1 HD2 LYS 24 - HE3 LYS 94 far 0 89 0 - 5.2-13.3 HD2 LYS 24 - HE3 LYS 20 far 0 86 0 - 5.2-9.9 HD3 LYS 24 - HE2 LYS 20 far 0 88 0 - 5.3-10.5 HD3 LYS 73 - HE2 LYS 39 far 0 41 0 - 5.5-9.0 HB3 LYS 40 - HE3 LYS 39 far 0 77 0 - 5.7-8.4 HD3 LYS 24 - HE2 LYS 94 far 0 70 0 - 5.7-12.3 HD2 LYS 73 - HE3 LYS 39 far 0 54 0 - 5.8-9.6 HB3 LEU 70 - HE2 LYS 66 far 0 97 0 - 5.9-9.9 HB3 LEU 70 - HE3 LYS 66 far 0 96 0 - 6.0-9.8 HD2 LYS 90 - HE2 LYS 20 far 0 48 0 - 6.0-11.8 HD3 LYS 90 - HE3 LYS 20 far 0 86 0 - 6.2-10.3 HD3 LYS 13 - HE3 LYS 20 far 0 87 0 - 6.3-10.9 HD2 LYS 24 - HE2 LYS 20 far 0 88 0 - 6.4-10.6 HD3 LYS 66 - HE3 LYS 68 far 0 95 0 - 6.6-10.5 HD3 LYS 73 - HE3 LYS 39 far 0 50 0 - 6.7-10.3 HB3 LYS 40 - HE2 LYS 39 far 0 64 0 - 6.7-9.3 HD2 LYS 73 - HE3 LYS 66 far 0 68 0 - 6.9-12.4 HB ILE 15 - HE2 LYS 20 far 0 65 0 - 6.9-10.7 HD2 LYS 24 - HE2 LYS 94 far 0 70 0 - 6.9-12.9 HD2 LYS 13 - HE3 LYS 20 far 0 87 0 - 7.0-11.8 HD2 LYS 13 - HE2 LYS 20 far 0 89 0 - 7.1-12.4 HD2 LYS 73 - HE2 LYS 66 far 0 70 0 - 7.1-12.5 HD3 LYS 73 - HE3 LYS 66 far 0 64 0 - 7.2-13.1 HD2 LYS 90 - HE3 LYS 20 far 0 47 0 - 7.3-11.3 HD3 LYS 13 - HE2 LYS 20 far 0 89 0 - 7.3-12.0 HD3 LYS 73 - HE2 LYS 66 far 0 65 0 - 7.4-13.0 HD2 LYS 90 - HE2 LYS 94 far 0 36 0 - 7.4-11.9 HD3 LYS 66 - HE2 LYS 68 far 0 92 0 - 7.4-10.5 HG2 PRO 86 - HE2 LYS 20 far 0 86 0 - 7.8-11.7 HD3 LYS 66 - HE3 LYS 39 far 0 87 0 - 7.9-11.8 HD2 LYS 90 - HE3 LYS 94 far 0 50 0 - 8.0-11.8 HD2 ARG 81 - HE2 LYS 68 far 0 75 0 - 8.0-12.4 HD2 ARG 81 - HE3 LYS 68 far 0 78 0 - 8.0-12.4 HD3 LYS 66 - HE2 LYS 39 far 0 73 0 - 8.1-11.2 HD3 LYS 90 - HE3 LYS 94 far 0 90 0 - 8.2-13.0 HB ILE 15 - HE3 LYS 20 far 0 64 0 - 8.3-11.4 HG LEU 70 - HE3 LYS 68 far 0 94 0 - 8.4-10.9 HD2 LYS 12 - HE2 LYS 20 far 0 89 0 - 8.6-14.3 HG2 PRO 86 - HE3 LYS 20 far 0 84 0 - 8.8-12.5 HD3 LYS 90 - HE2 LYS 94 far 0 70 0 - 9.0-13.0 HD3 LYS 12 - HE2 LYS 20 far 0 89 0 - 9.2-14.5 HD2 LYS 12 - HE3 LYS 20 far 0 87 0 - 9.3-14.9 HG LEU 70 - HE2 LYS 68 far 0 92 0 - 9.4-11.0 HG12 ILE 15 - HE2 LYS 20 far 0 87 0 - 9.5-12.8 HD3 LYS 73 - HE3 LYS 68 far 0 57 0 - 9.6-14.5 HD3 LYS 12 - HE3 LYS 20 far 0 87 0 - 9.6-14.1 HD2 LYS 73 - HE3 LYS 68 far 0 61 0 - 9.9-14.4 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; 5.39 A increased from 4.54 A): 5 out of 18 assignments used, quality = 1.00: H LYS 66 + HE2 LYS 66 OK 99 99 100 100 4.2-5.7 7072/3.6=93, 7074/2.9=92...(26) H LYS 20 + HE2 LYS 20 OK 94 94 100 100 3.1-5.5 6309/3.6=86, 893/3.6=82...(13) H LYS 20 + HE3 LYS 20 OK 93 93 100 100 4.1-5.6 6309/3.6=86, 893/3.6=82...(15) * H LYS 66 + HE3 LYS 66 OK 90 100 90 100 2.7-5.8 7072/3.6=93, 7074/2.9=92...(25) H LYS 66 + HE3 LYS 68 OK 29 99 40 73 5.3-8.3 7101/7.2=36...(8) H LYS 66 - HE2 LYS 68 far 10 98 10 - 5.6-8.2 H LYS 73 - HE2 LYS 39 far 0 27 0 - 6.9-10.0 H GLU 99 - HE2 LYS 94 far 0 83 0 - 7.0-10.6 H GLU 99 - HE3 LYS 94 far 0 96 0 - 7.1-10.3 H TYR 41 - HE3 LYS 39 far 0 61 0 - 7.5-9.0 H LYS 73 - HE3 LYS 68 far 0 57 0 - 7.8-10.3 H LYS 73 - HE3 LYS 39 far 0 36 0 - 8.0-10.6 H TYR 41 - HE2 LYS 39 far 0 47 0 - 8.1-9.4 H LYS 73 - HE2 LYS 68 far 0 56 0 - 8.2-11.0 H LYS 73 - HE2 LYS 66 far 0 58 0 - 8.3-11.8 H ASN 26 - HE3 LYS 94 far 0 57 0 - 8.4-13.7 H LYS 73 - HE3 LYS 66 far 0 59 0 - 8.4-11.8 H ASN 26 - HE2 LYS 94 far 0 46 0 - 9.1-13.9 Violated in 0 structures by 0.00 A. Peak 2964 from cnoeabs.peaks (4.08, 2.90, 41.80 ppm; 4.43 A increased from 3.94 A): 5 out of 18 assignments used, quality = 1.00: HA LYS 66 + HE2 LYS 66 OK 99 99 100 100 2.5-4.5 2942/2.9=79, 2931/2.9=52...(45) * HA LYS 66 + HE3 LYS 66 OK 95 100 95 100 2.5-4.8 2942/2.9=79, 2931/2.9=52...(47) HA GLU 17 + HE3 LYS 20 OK 42 78 80 68 2.6-5.4 916/3.0=13, 2878=12...(15) HA GLU 17 + HE2 LYS 20 OK 29 79 55 68 2.0-5.6 916/3.0=13, 916/3.0=12...(15) HA LYS 20 + HE2 LYS 20 OK 23 77 30 100 4.2-6.1 848/3.6=57, 6.3=34...(87) HA GLU 16 - HE2 LYS 20 poor 16 65 25 - 3.2-6.7 HA LYS 20 - HE3 LYS 20 far 8 76 10 - 2.7-6.2 HA GLU 16 - HE3 LYS 20 far 3 64 5 - 4.6-7.5 HA LYS 66 - HE3 LYS 68 far 0 99 0 - 5.8-8.8 HA LYS 66 - HE2 LYS 68 far 0 98 0 - 6.7-8.7 HA LYS 24 - HE3 LYS 94 far 0 83 0 - 7.6-13.5 HA PRO 86 - HE2 LYS 20 far 0 93 0 - 7.7-11.6 HA LYS 24 - HE3 LYS 20 far 0 81 0 - 7.9-12.1 HA LYS 66 - HE3 LYS 39 far 0 73 0 - 7.9-11.0 HA LYS 66 - HE2 LYS 39 far 0 57 0 - 8.2-10.6 HA PRO 86 - HE3 LYS 20 far 0 92 0 - 8.7-12.0 HA LYS 24 - HE2 LYS 94 far 0 69 0 - 8.9-13.2 HA LYS 24 - HE2 LYS 20 far 0 82 0 - 9.2-11.8 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 33 assignments used, quality = 0.94: * HB2 LYS 66 + HE3 LYS 66 OK 75 100 75 100 2.0-4.8 2943/2.9=70, 4.7=64...(31) HB2 LYS 39 + HE3 LYS 39 OK 46 46 100 100 2.2-3.5 4.9=56, 1686/3.0=35...(58) HB2 LYS 39 + HE2 LYS 39 OK 35 35 100 100 2.7-4.0 4.9=56, 1686/3.0=35...(61) HB2 LYS 66 + HE2 LYS 66 OK 35 99 35 100 2.0-4.8 2943/2.9=70, 4.7=64...(32) HD2 LYS 90 - HE2 LYS 20 far 0 76 0 - 6.0-11.8 HB ILE 56 - HE3 LYS 68 far 0 99 0 - 6.2-9.8 HG3 ARG 19 - HE2 LYS 20 far 0 96 0 - 6.6-9.4 HB ILE 56 - HE2 LYS 68 far 0 98 0 - 6.7-10.1 HB2 LYS 66 - HE3 LYS 39 far 0 73 0 - 6.8-9.7 HB ILE 93 - HE3 LYS 94 far 0 59 0 - 6.9-8.8 HB ILE 15 - HE2 LYS 20 far 0 58 0 - 6.9-10.7 HB ILE 93 - HE2 LYS 94 far 0 47 0 - 7.0-9.1 HB2 LYS 66 - HE2 LYS 39 far 0 57 0 - 7.2-9.5 HD2 LYS 90 - HE3 LYS 20 far 0 75 0 - 7.3-11.3 HD2 LYS 90 - HE2 LYS 94 far 0 63 0 - 7.4-11.9 HB2 LYS 39 - HE3 LYS 66 far 0 73 0 - 7.7-12.9 HG3 ARG 19 - HE3 LYS 20 far 0 95 0 - 7.9-9.7 HD2 LYS 90 - HE3 LYS 94 far 0 77 0 - 8.0-11.8 HB2 LYS 39 - HE2 LYS 66 far 0 71 0 - 8.0-12.9 HB3 GLU 63 - HE3 LYS 66 far 0 98 0 - 8.0-10.8 HB2 LYS 66 - HE3 LYS 68 far 0 99 0 - 8.0-10.9 HB3 LYS 82 - HE3 LYS 68 far 0 99 0 - 8.1-11.7 HB ILE 15 - HE3 LYS 20 far 0 57 0 - 8.3-11.4 HB VAL 78 - HE2 LYS 68 far 0 94 0 - 8.4-11.7 HB3 LYS 82 - HE2 LYS 68 far 0 98 0 - 8.4-12.2 HB3 GLU 63 - HE3 LYS 68 far 0 96 0 - 8.4-12.0 HB VAL 78 - HE3 LYS 68 far 0 95 0 - 8.5-11.5 HG3 ARG 46 - HE2 LYS 39 far 0 47 0 - 8.6-12.9 HB2 LYS 66 - HE2 LYS 68 far 0 98 0 - 8.7-10.6 HB3 GLU 63 - HE2 LYS 66 far 0 97 0 - 8.8-10.8 HB ILE 93 - HE2 LYS 20 far 0 58 0 - 9.0-12.4 HB3 GLU 63 - HE2 LYS 68 far 0 95 0 - 9.1-12.0 HB ILE 93 - HE3 LYS 20 far 0 57 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 2966 from cnoeabs.peaks (1.86, 2.90, 41.80 ppm; 3.48 A): 9 out of 34 assignments used, quality = 1.00: HB3 LYS 39 + HE3 LYS 39 OK 72 73 100 99 2.0-3.4 4.9=35, ~1686=24...(38) HB3 LYS 68 + HE3 LYS 68 OK 52 97 55 98 2.0-4.5 5.0=34, 3014/3.6=19...(60) HB3 LYS 68 + HE2 LYS 68 OK 52 96 55 98 2.3-4.9 5.0=34, 3014/3.6=19...(60) HB2 LYS 68 + HE3 LYS 68 OK 50 86 60 98 2.3-4.6 5.0=34, 2.9/4267=14...(63) HB2 LYS 68 + HE2 LYS 68 OK 41 84 50 98 2.0-4.9 5.0=34, 3002/3.0=13...(63) HB3 LYS 39 + HE2 LYS 39 OK 40 57 70 99 2.0-4.3 4.9=35, ~1686=24...(39) HB2 LYS 20 + HE2 LYS 20 OK 39 74 55 96 2.3-5.5 4.7=40, 4.0/6313=12...(67) HB2 LYS 20 + HE3 LYS 20 OK 39 73 55 96 2.0-4.7 4.7=40, 3018/1.8=12...(69) HB3 LYS 66 + HE2 LYS 66 OK 25 99 25 99 3.6-5.5 4.7=40, ~2943=31...(33) ! HB3 LYS 66 - HE3 LYS 66 far 5 100 5 - 3.6-5.5 HB2 ARG 19 - HE2 LYS 20 far 0 69 0 - 5.3-8.3 HB2 ARG 19 - HE3 LYS 20 far 0 68 0 - 5.7-8.5 HB3 LYS 90 - HE2 LYS 94 far 0 63 0 - 6.0-9.1 HB3 LYS 90 - HE3 LYS 94 far 0 77 0 - 6.1-9.0 HB3 LYS 90 - HE2 LYS 20 far 0 76 0 - 6.2-11.7 HB2 LYS 12 - HE2 LYS 20 far 0 96 0 - 6.8-11.1 HB3 LYS 39 - HE2 LYS 66 far 0 99 0 - 7.0-13.5 HG LEU 42 - HE2 LYS 39 far 0 32 0 - 7.2-9.6 HB3 LYS 39 - HE3 LYS 66 far 0 100 0 - 7.3-12.6 HB3 LYS 90 - HE3 LYS 20 far 0 75 0 - 7.3-11.2 HG LEU 42 - HE3 LYS 39 far 0 42 0 - 7.4-9.2 HB3 LYS 66 - HE3 LYS 68 far 0 99 0 - 7.6-10.3 HB3 LYS 66 - HE2 LYS 68 far 0 98 0 - 7.9-10.0 HB3 LYS 68 - HE3 LYS 66 far 0 99 0 - 7.9-11.4 HB2 LYS 12 - HE3 LYS 20 far 0 95 0 - 7.9-12.2 HB2 LYS 68 - HE3 LYS 66 far 0 88 0 - 8.2-11.9 HB3 LYS 66 - HE3 LYS 39 far 0 73 0 - 8.5-11.3 HB3 LYS 12 - HE2 LYS 20 far 0 96 0 - 8.6-12.7 HB3 LYS 66 - HE2 LYS 39 far 0 57 0 - 8.9-11.1 HB3 LYS 68 - HE2 LYS 66 far 0 98 0 - 9.1-11.1 HB2 LYS 68 - HE2 LYS 66 far 0 86 0 - 9.3-11.5 HB3 LYS 12 - HE3 LYS 20 far 0 95 0 - 9.5-13.7 HG2 ARG 46 - HE2 LYS 39 far 0 31 0 - 9.7-13.3 HB3 GLU 104 - HE2 LYS 68 far 0 96 0 - 9.7-30.5 Violated in 0 structures by 0.00 A. Peak 2967 from cnoeabs.peaks (1.49, 2.90, 41.80 ppm; 3.84 A increased from 3.41 A): 8 out of 56 assignments used, quality = 1.00: HG3 LYS 66 + HE3 LYS 66 OK 100 100 100 100 2.3-3.8 3.6=100 HG2 LYS 66 + HE2 LYS 66 OK 99 99 100 100 2.2-3.8 3.6=100 HG3 LYS 66 + HE2 LYS 66 OK 99 99 100 100 2.4-4.1 3.6=100 * HG2 LYS 66 + HE3 LYS 66 OK 80 100 80 100 2.1-4.2 3.6=100 HG2 LYS 20 + HE2 LYS 20 OK 63 63 100 100 2.1-3.8 3.6=100 HG2 LYS 20 + HE3 LYS 20 OK 62 62 100 100 2.3-4.0 3.6=100 HG LEU 64 + HE2 LYS 68 OK 54 95 60 95 2.2-5.6 ~10264=34, ~11010=32...(22) HG LEU 64 + HE3 LYS 68 OK 37 97 40 95 2.0-5.7 ~10264=34, ~11010=32...(21) HB2 ARG 91 - HE3 LYS 94 far 10 97 10 - 3.5-9.2 HG3 ARG 91 - HE2 LYS 94 far 7 44 15 - 3.2-9.3 HG3 ARG 91 - HE3 LYS 94 far 5 55 10 - 2.1-9.5 HB2 ARG 91 - HE2 LYS 94 far 4 84 5 - 3.7-9.3 HG2 LYS 73 - HE2 LYS 39 far 0 57 0 - 4.8-8.5 HB3 LEU 64 - HE3 LYS 68 far 0 99 0 - 4.8-8.6 HB3 LEU 64 - HE2 LYS 68 far 0 98 0 - 5.1-8.6 HB2 LEU 38 - HE3 LYS 39 far 0 41 0 - 5.5-8.2 HB2 LEU 38 - HE2 LYS 39 far 0 31 0 - 5.6-8.3 HG2 LYS 73 - HE3 LYS 39 far 0 73 0 - 6.0-9.5 HG3 LYS 24 - HE2 LYS 94 far 0 76 0 - 6.1-13.0 HG2 LYS 73 - HE3 LYS 66 far 0 100 0 - 6.6-10.5 HG2 LYS 73 - HE2 LYS 66 far 0 99 0 - 6.7-10.3 HG3 LYS 24 - HE3 LYS 20 far 0 88 0 - 6.7-11.3 HG2 LYS 66 - HE3 LYS 68 far 0 99 0 - 6.9-10.2 HB2 LEU 38 - HE2 LYS 66 far 0 64 0 - 7.1-11.0 HG3 LYS 24 - HE3 LYS 94 far 0 90 0 - 7.1-13.2 HD2 LYS 82 - HE2 LYS 68 far 0 69 0 - 7.3-11.3 HB2 LEU 38 - HE3 LYS 66 far 0 65 0 - 7.3-10.6 HG LEU 64 - HE3 LYS 66 far 0 99 0 - 7.4-11.1 HD2 LYS 82 - HE3 LYS 68 far 0 71 0 - 7.4-11.3 HG LEU 38 - HE2 LYS 66 far 0 71 0 - 7.4-10.8 HG LEU 38 - HE3 LYS 39 far 0 46 0 - 7.4-9.4 HG LEU 38 - HE3 LYS 66 far 0 73 0 - 7.5-10.7 HG2 LYS 66 - HE2 LYS 68 far 0 98 0 - 7.5-10.3 HG LEU 38 - HE2 LYS 39 far 0 35 0 - 7.6-9.7 HG3 LYS 24 - HE2 LYS 20 far 0 89 0 - 7.7-11.0 HG12 ILE 56 - HE3 LYS 68 far 0 55 0 - 8.1-11.5 HD2 LYS 40 - HE3 LYS 39 far 0 53 0 - 8.3-10.1 HG3 LYS 13 - HE3 LYS 20 far 0 95 0 - 8.3-12.3 HB3 LEU 64 - HE3 LYS 66 far 0 100 0 - 8.4-11.9 HG3 LYS 66 - HE3 LYS 39 far 0 73 0 - 8.4-11.3 HG12 ILE 56 - HE2 LYS 68 far 0 54 0 - 8.6-11.9 HG3 LYS 66 - HE3 LYS 68 far 0 99 0 - 8.6-11.8 HD3 LYS 40 - HE3 LYS 39 far 0 55 0 - 8.8-11.3 HG2 LYS 73 - HE3 LYS 68 far 0 99 0 - 8.9-12.0 HG LEU 64 - HE2 LYS 66 far 0 97 0 - 8.9-10.8 HG2 LYS 73 - HE2 LYS 68 far 0 98 0 - 8.9-12.4 HG3 LYS 13 - HE2 LYS 20 far 0 96 0 - 9.0-11.8 HG3 LYS 66 - HE2 LYS 39 far 0 57 0 - 9.0-11.1 HB2 LEU 14 - HE2 LYS 20 far 0 69 0 - 9.1-12.9 HD2 LYS 40 - HE2 LYS 39 far 0 41 0 - 9.1-11.1 HG3 LYS 66 - HE2 LYS 68 far 0 98 0 - 9.2-11.7 HG LEU 38 - HE3 LYS 68 far 0 71 0 - 9.3-12.6 HG2 LYS 66 - HE3 LYS 39 far 0 73 0 - 9.4-12.6 HB3 LEU 64 - HE2 LYS 66 far 0 99 0 - 9.8-11.8 HB ILE 7 - HE2 LYS 20 far 0 69 0 - 10.0-13.3 HG2 LYS 66 - HE2 LYS 39 far 0 57 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 2968 from cnoeabs.peaks (1.49, 2.90, 41.80 ppm; 3.84 A increased from 3.41 A): 8 out of 54 assignments used, quality = 1.00: * HG3 LYS 66 + HE3 LYS 66 OK 100 100 100 100 2.3-3.8 3.6=100 HG3 LYS 66 + HE2 LYS 66 OK 99 99 100 100 2.4-4.1 3.6=100 HG2 LYS 66 + HE2 LYS 66 OK 99 99 100 100 2.2-3.8 3.6=100 HG2 LYS 66 + HE3 LYS 66 OK 80 100 80 100 2.1-4.2 3.6=100 HG2 LYS 20 + HE2 LYS 20 OK 60 60 100 100 2.1-3.8 3.6=100 HG2 LYS 20 + HE3 LYS 20 OK 58 58 100 100 2.3-4.0 3.6=100 HG LEU 64 + HE2 LYS 68 OK 53 94 60 95 2.2-5.6 ~10264=34, ~11010=32...(22) HG LEU 64 + HE3 LYS 68 OK 36 96 40 95 2.0-5.7 ~10264=34, ~11010=32...(21) HB2 ARG 91 - HE3 LYS 94 far 10 96 10 - 3.5-9.2 HB2 ARG 91 - HE2 LYS 94 far 4 83 5 - 3.7-9.3 HG2 LYS 73 - HE2 LYS 39 far 0 57 0 - 4.8-8.5 HB3 LEU 64 - HE3 LYS 68 far 0 99 0 - 4.8-8.6 HB3 LEU 64 - HE2 LYS 68 far 0 98 0 - 5.1-8.6 HB2 LEU 38 - HE3 LYS 39 far 0 38 0 - 5.5-8.2 HB2 LEU 38 - HE2 LYS 39 far 0 28 0 - 5.6-8.3 HG2 LYS 73 - HE3 LYS 39 far 0 73 0 - 6.0-9.5 HG3 LYS 24 - HE2 LYS 94 far 0 78 0 - 6.1-13.0 HG2 LYS 73 - HE3 LYS 66 far 0 100 0 - 6.6-10.5 HG2 LYS 73 - HE2 LYS 66 far 0 99 0 - 6.7-10.3 HG3 LYS 24 - HE3 LYS 20 far 0 90 0 - 6.7-11.3 HG2 LYS 66 - HE3 LYS 68 far 0 99 0 - 6.9-10.2 HB2 LEU 38 - HE2 LYS 66 far 0 60 0 - 7.1-11.0 HG3 LYS 24 - HE3 LYS 94 far 0 92 0 - 7.1-13.2 HD2 LYS 82 - HE2 LYS 68 far 0 65 0 - 7.3-11.3 HB2 LEU 38 - HE3 LYS 66 far 0 61 0 - 7.3-10.6 HG LEU 64 - HE3 LYS 66 far 0 98 0 - 7.4-11.1 HD2 LYS 82 - HE3 LYS 68 far 0 67 0 - 7.4-11.3 HG LEU 38 - HE2 LYS 66 far 0 68 0 - 7.4-10.8 HG LEU 38 - HE3 LYS 39 far 0 44 0 - 7.4-9.4 HG LEU 38 - HE3 LYS 66 far 0 70 0 - 7.5-10.7 HG2 LYS 66 - HE2 LYS 68 far 0 98 0 - 7.5-10.3 HG LEU 38 - HE2 LYS 39 far 0 33 0 - 7.6-9.7 HG3 LYS 24 - HE2 LYS 20 far 0 91 0 - 7.7-11.0 HG12 ILE 56 - HE3 LYS 68 far 0 59 0 - 8.1-11.5 HD2 LYS 40 - HE3 LYS 39 far 0 51 0 - 8.3-10.1 HG3 LYS 13 - HE3 LYS 20 far 0 95 0 - 8.3-12.3 HB3 LEU 64 - HE3 LYS 66 far 0 100 0 - 8.4-11.9 HG3 LYS 66 - HE3 LYS 39 far 0 73 0 - 8.4-11.3 HG12 ILE 56 - HE2 LYS 68 far 0 58 0 - 8.6-11.9 HG3 LYS 66 - HE3 LYS 68 far 0 99 0 - 8.6-11.8 HD3 LYS 40 - HE3 LYS 39 far 0 52 0 - 8.8-11.3 HG2 LYS 73 - HE3 LYS 68 far 0 99 0 - 8.9-12.0 HG LEU 64 - HE2 LYS 66 far 0 96 0 - 8.9-10.8 HG2 LYS 73 - HE2 LYS 68 far 0 98 0 - 8.9-12.4 HG3 LYS 13 - HE2 LYS 20 far 0 96 0 - 9.0-11.8 HG3 LYS 66 - HE2 LYS 39 far 0 57 0 - 9.0-11.1 HB2 LEU 14 - HE2 LYS 20 far 0 72 0 - 9.1-12.9 HD2 LYS 40 - HE2 LYS 39 far 0 38 0 - 9.1-11.1 HG3 LYS 66 - HE2 LYS 68 far 0 98 0 - 9.2-11.7 HG LEU 38 - HE3 LYS 68 far 0 67 0 - 9.3-12.6 HG2 LYS 66 - HE3 LYS 39 far 0 73 0 - 9.4-12.6 HB3 LEU 64 - HE2 LYS 66 far 0 99 0 - 9.8-11.8 HB ILE 7 - HE2 LYS 20 far 0 72 0 - 10.0-13.3 HG2 LYS 66 - HE2 LYS 39 far 0 57 0 - 10.0-12.3 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 36 assignments used, quality = 1.00: * HD2 LYS 66 + HE3 LYS 66 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 66 + HE2 LYS 66 OK 99 99 100 100 2.3-3.0 2.9=100 HD3 LYS 94 + HE3 LYS 94 OK 97 97 100 100 2.4-3.0 3.0=100 HD3 LYS 94 + HE2 LYS 94 OK 85 85 100 100 2.3-3.0 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 2.4-3.0 3.0=100 HG3 LYS 90 - HE2 LYS 20 far 0 89 0 - 4.1-9.6 HG3 LYS 73 - HE2 LYS 39 far 0 57 0 - 5.0-9.8 HG2 ARG 19 - HE2 LYS 20 far 0 90 0 - 5.2-10.0 HG3 LYS 90 - HE3 LYS 20 far 0 88 0 - 5.3-9.2 HG3 LYS 73 - HE3 LYS 39 far 0 73 0 - 6.4-10.9 HG2 LYS 24 - HE3 LYS 94 far 0 92 0 - 6.5-13.1 HG2 LYS 24 - HE3 LYS 20 far 0 90 0 - 6.5-10.8 HD2 LYS 66 - HE3 LYS 39 far 0 73 0 - 6.6-12.2 HG2 ARG 19 - HE3 LYS 20 far 0 89 0 - 6.7-9.8 HG2 LYS 24 - HE2 LYS 20 far 0 91 0 - 7.0-10.6 HD2 LYS 66 - HE2 LYS 39 far 0 57 0 - 7.3-11.6 HG2 LYS 24 - HE2 LYS 94 far 0 78 0 - 7.3-12.8 HB2 ARG 79 - HE2 LYS 68 far 0 98 0 - 7.9-12.8 HG3 LYS 73 - HE2 LYS 66 far 0 99 0 - 7.9-11.8 HD2 LYS 66 - HE3 LYS 68 far 0 99 0 - 8.0-11.9 HG3 LYS 73 - HE3 LYS 66 far 0 100 0 - 8.1-12.0 HG3 LYS 90 - HE2 LYS 94 far 0 76 0 - 8.1-11.2 HG3 LYS 90 - HE3 LYS 94 far 0 90 0 - 8.2-10.9 HG3 LYS 12 - HE2 LYS 20 far 0 95 0 - 8.4-13.5 HG LEU 27 - HE3 LYS 94 far 0 97 0 - 8.5-12.8 HD2 LYS 66 - HE2 LYS 68 far 0 98 0 - 8.7-12.0 HD3 LYS 82 - HE2 LYS 68 far 0 63 0 - 8.8-12.9 HB2 ARG 79 - HE3 LYS 68 far 0 99 0 - 8.9-13.2 HG LEU 27 - HE2 LYS 94 far 0 85 0 - 9.0-13.6 HD3 LYS 82 - HE3 LYS 68 far 0 65 0 - 9.0-13.0 HG3 LYS 73 - HE2 LYS 68 far 0 98 0 - 9.1-12.5 HG3 LYS 73 - HE3 LYS 68 far 0 99 0 - 9.3-12.3 HG3 LYS 12 - HE3 LYS 20 far 0 94 0 - 9.6-14.7 HB3 LEU 29 - HE2 LYS 20 far 0 96 0 - 9.7-12.3 HB3 LEU 29 - HE3 LYS 20 far 0 95 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 2970 from cnoeabs.peaks (1.70, 2.90, 41.80 ppm; 2.98 A): 7 out of 67 assignments used, quality = 1.00: * HD3 LYS 66 + HE3 LYS 66 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 66 + HE2 LYS 66 OK 99 99 100 100 2.3-3.0 2.9=100 HD2 LYS 20 + HE2 LYS 20 OK 80 80 100 99 2.3-3.0 3.0=99, 3.5/867=7...(25) HD2 LYS 20 + HE3 LYS 20 OK 79 79 100 99 2.3-3.0 3.0=99, 3.5/867=6...(25) HD3 LYS 20 + HE2 LYS 20 OK 75 76 100 99 2.3-3.0 3.0=99, 3.5/867=7...(25) HD3 LYS 20 + HE3 LYS 20 OK 74 75 100 99 2.2-3.0 3.0=99, 3.5/867=6...(25) HG3 LYS 20 + HE2 LYS 20 OK 31 76 45 91 2.4-4.2 3.6=59, 3.0/867=8...(63) HG3 LYS 20 - HE3 LYS 20 poor 19 75 25 - 2.5-4.2 HG LEU 70 - HE2 LYS 66 far 15 99 15 - 2.9-7.0 HG LEU 70 - HE3 LYS 66 far 10 100 10 - 3.1-6.9 HB3 LEU 70 - HE2 LYS 39 far 3 52 5 - 3.2-6.4 HB3 LEU 70 - HE3 LYS 39 far 0 68 0 - 3.7-6.4 HD3 LYS 24 - HE3 LYS 94 far 0 97 0 - 4.1-12.4 HD2 LYS 73 - HE2 LYS 39 far 0 33 0 - 4.4-8.5 HD3 LYS 24 - HE3 LYS 20 far 0 95 0 - 4.4-10.9 HB3 ARG 91 - HE3 LYS 94 far 0 88 0 - 4.4-10.1 HG LEU 70 - HE2 LYS 39 far 0 57 0 - 4.6-7.0 HG LEU 70 - HE3 LYS 39 far 0 73 0 - 4.7-7.6 HD3 LYS 90 - HE2 LYS 20 far 0 96 0 - 4.7-10.7 HB3 ARG 91 - HE2 LYS 94 far 0 74 0 - 5.1-10.1 HD2 LYS 24 - HE3 LYS 94 far 0 97 0 - 5.2-13.3 HD2 LYS 24 - HE3 LYS 20 far 0 95 0 - 5.2-9.9 HD3 LYS 24 - HE2 LYS 20 far 0 96 0 - 5.3-10.5 HD3 LYS 73 - HE2 LYS 39 far 0 31 0 - 5.5-9.0 HB3 LYS 40 - HE3 LYS 39 far 0 64 0 - 5.7-8.4 HD3 LYS 24 - HE2 LYS 94 far 0 84 0 - 5.7-12.3 HD2 LYS 73 - HE3 LYS 39 far 0 44 0 - 5.8-9.6 HB3 LEU 70 - HE2 LYS 66 far 0 96 0 - 5.9-9.9 HB3 LEU 70 - HE3 LYS 66 far 0 97 0 - 6.0-9.8 HD2 LYS 90 - HE2 LYS 20 far 0 56 0 - 6.0-11.8 HD3 LYS 90 - HE3 LYS 20 far 0 95 0 - 6.2-10.3 HD3 LYS 13 - HE3 LYS 20 far 0 96 0 - 6.3-10.9 HD2 LYS 24 - HE2 LYS 20 far 0 96 0 - 6.4-10.6 HD3 LYS 66 - HE3 LYS 68 far 0 99 0 - 6.6-10.5 HD3 LYS 73 - HE3 LYS 39 far 0 41 0 - 6.7-10.3 HB3 LYS 40 - HE2 LYS 39 far 0 49 0 - 6.7-9.3 HD2 LYS 73 - HE3 LYS 66 far 0 70 0 - 6.9-12.4 HB ILE 15 - HE2 LYS 20 far 0 74 0 - 6.9-10.7 HD2 LYS 24 - HE2 LYS 94 far 0 84 0 - 6.9-12.9 HD2 LYS 13 - HE3 LYS 20 far 0 96 0 - 7.0-11.8 HD2 LYS 13 - HE2 LYS 20 far 0 97 0 - 7.1-12.4 HD2 LYS 73 - HE2 LYS 66 far 0 68 0 - 7.1-12.5 HD3 LYS 73 - HE3 LYS 66 far 0 65 0 - 7.2-13.1 HD2 LYS 90 - HE3 LYS 20 far 0 55 0 - 7.3-11.3 HD3 LYS 13 - HE2 LYS 20 far 0 97 0 - 7.3-12.0 HD3 LYS 73 - HE2 LYS 66 far 0 64 0 - 7.4-13.0 HD2 LYS 90 - HE2 LYS 94 far 0 46 0 - 7.4-11.9 HD3 LYS 66 - HE2 LYS 68 far 0 98 0 - 7.4-10.5 HG2 PRO 86 - HE2 LYS 20 far 0 95 0 - 7.8-11.7 HD3 LYS 66 - HE3 LYS 39 far 0 73 0 - 7.9-11.8 HD2 LYS 90 - HE3 LYS 94 far 0 57 0 - 8.0-11.8 HD2 ARG 81 - HE2 LYS 68 far 0 83 0 - 8.0-12.4 HD2 ARG 81 - HE3 LYS 68 far 0 84 0 - 8.0-12.4 HD3 LYS 66 - HE2 LYS 39 far 0 57 0 - 8.1-11.2 HD3 LYS 90 - HE3 LYS 94 far 0 97 0 - 8.2-13.0 HB ILE 15 - HE3 LYS 20 far 0 73 0 - 8.3-11.4 HG LEU 70 - HE3 LYS 68 far 0 99 0 - 8.4-10.9 HD2 LYS 12 - HE2 LYS 20 far 0 97 0 - 8.6-14.3 HG2 PRO 86 - HE3 LYS 20 far 0 94 0 - 8.8-12.5 HD3 LYS 90 - HE2 LYS 94 far 0 84 0 - 9.0-13.0 HD3 LYS 12 - HE2 LYS 20 far 0 97 0 - 9.2-14.5 HD2 LYS 12 - HE3 LYS 20 far 0 96 0 - 9.3-14.9 HG LEU 70 - HE2 LYS 68 far 0 98 0 - 9.4-11.0 HG12 ILE 15 - HE2 LYS 20 far 0 95 0 - 9.5-12.8 HD3 LYS 73 - HE3 LYS 68 far 0 63 0 - 9.6-14.5 HD3 LYS 12 - HE3 LYS 20 far 0 96 0 - 9.6-14.1 HD2 LYS 73 - HE3 LYS 68 far 0 67 0 - 9.9-14.4 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 2.8-2.8 3.0=100 H LEU 29 - HA ALA 22 far 0 44 0 - 5.4-6.1 H VAL 54 - HA ALA 71 far 0 77 0 - 8.3-9.0 H ALA 67 - HA ALA 71 far 0 80 0 - 8.5-8.9 H ARG 79 - HA ALA 71 far 0 69 0 - 8.6-9.3 H ARG 79 - HA ALA 67 far 0 93 0 - 9.2-9.9 H ILE 7 - HA ALA 22 far 0 53 0 - 9.4-10.2 H VAL 32 - HA ALA 67 far 0 100 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 2975 from cnoeabs.peaks (3.85, 3.85, 55.40 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA ALA 67 + HA ALA 67 OK 100 100 - 100 HA ALA 71 + HA ALA 71 OK 78 78 - 100 HA ALA 22 + HA ALA 22 OK 47 47 - 100 Peak 2976 from cnoeabs.peaks (1.34, 3.85, 55.40 ppm; 2.94 A): 2 out of 15 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 2.3-3.2 1154=38, 6408/6394=25...(13) HB2 LEU 70 - HA ALA 67 poor 17 73 35 66 3.1-3.7 3.9/7140=23, 3.0/9539=20...(7) HB3 LEU 42 - HA ALA 71 far 0 48 0 - 3.9-4.5 HB2 LEU 70 - HA ALA 71 far 0 51 0 - 4.2-4.5 HB3 LEU 27 - HA ALA 22 far 0 64 0 - 4.7-5.7 HG2 LYS 39 - HA ALA 71 far 0 78 0 - 5.4-6.6 HG3 LYS 68 - HA ALA 67 far 0 98 0 - 6.3-6.6 QB ALA 67 - HA ALA 71 far 0 80 0 - 6.4-6.9 HG12 ILE 8 - HA ALA 67 far 0 84 0 - 6.9-7.3 QB ALA 89 - HA ALA 22 far 0 65 0 - 7.3-7.7 HG2 LYS 39 - HA ALA 67 far 0 99 0 - 7.5-9.3 HB3 LEU 42 - HA ALA 67 far 0 70 0 - 8.1-8.8 HG3 LYS 68 - HA ALA 71 far 0 75 0 - 8.2-8.6 HG2 LYS 94 - HA ALA 22 far 0 65 0 - 8.3-10.1 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 6 assignments used, quality = 1.00: * H LYS 68 + HA ALA 67 OK 100 100 100 100 3.6-3.6 3.6=100 H SER 97 - HA ALA 22 far 0 43 0 - 6.6-7.5 H GLU 43 - HA ALA 71 far 0 78 0 - 7.2-7.8 H LYS 68 - HA ALA 71 far 0 80 0 - 7.4-7.7 H PHE 96 - HA ALA 22 far 0 48 0 - 7.6-8.4 H ASP 36 - HA ALA 67 far 0 100 0 - 8.9-9.6 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 3.8-4.2 7140=100, 7137/7121=57...(11) H LEU 70 - HA ALA 71 far 0 80 0 - 5.3-5.5 H LEU 42 - HA ALA 71 far 0 80 0 - 6.6-7.3 H LEU 42 - HA ALA 67 far 0 100 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 2979 from cnoeabs.peaks (1.37, 3.85, 55.40 ppm; 3.17 A): 3 out of 14 assignments used, quality = 0.91: QB ALA 67 + HA ALA 67 OK 73 73 100 100 2.1-2.1 2.1=100 * HB2 LEU 70 + HA ALA 67 OK 48 100 60 81 3.1-3.7 3132=33, 3133/7140=31...(9) QB ALA 25 + HA ALA 22 OK 37 43 100 86 2.3-3.2 1154=34, 2.9/6394=29...(12) HB2 LEU 70 - HA ALA 71 far 0 80 0 - 4.2-4.5 HB3 LEU 27 - HA ALA 22 far 0 49 0 - 4.7-5.7 HG2 LYS 39 - HA ALA 71 far 0 63 0 - 5.4-6.6 HG3 LYS 68 - HA ALA 67 far 0 92 0 - 6.3-6.6 QB ALA 67 - HA ALA 71 far 0 51 0 - 6.4-6.9 HG12 ILE 8 - HA ALA 67 far 0 100 0 - 6.9-7.3 QB ALA 89 - HA ALA 22 far 0 43 0 - 7.3-7.7 HG2 LYS 39 - HA ALA 67 far 0 87 0 - 7.5-9.3 HG3 LYS 94 - HA ALA 22 far 0 61 0 - 8.1-9.4 HG3 LYS 68 - HA ALA 71 far 0 68 0 - 8.2-8.6 HG2 LYS 94 - HA ALA 22 far 0 43 0 - 8.3-10.1 Violated in 0 structures by 0.00 A. Peak 2980 from cnoeabs.peaks (1.72, 3.85, 55.40 ppm; 4.36 A increased from 3.88 A): 2 out of 9 assignments used, quality = 0.90: HB3 LEU 70 + HA ALA 71 OK 80 80 100 100 4.1-4.4 3141=98, 7160/3.0=79...(15) HG LEU 70 + HA ALA 67 OK 51 95 55 98 4.4-5.2 7151/7140=64, 9539=64...(7) ! HB3 LEU 70 - HA ALA 67 far 0 100 0 - 4.7-5.4 HD2 LYS 24 - HA ALA 22 far 0 55 0 - 6.2-8.1 HD3 LYS 66 - HA ALA 67 far 0 97 0 - 6.3-6.7 HG LEU 70 - HA ALA 71 far 0 71 0 - 6.5-6.6 HD3 LYS 24 - HA ALA 22 far 0 56 0 - 6.5-8.9 HB2 GLU 28 - HA ALA 22 far 0 47 0 - 8.7-9.3 HD2 LYS 20 - HA ALA 22 far 0 33 0 - 9.3-11.1 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 = 1.00: * HA LEU 64 + QB ALA 67 OK 100 100 100 100 2.2-2.6 2809=98, 9476/9732=53...(16) 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 5 assignments used, quality = 1.00: * H ALA 67 + QB ALA 67 OK 100 100 100 100 2.1-2.2 2.9=100 H ARG 79 - QB ALA 67 far 0 93 0 - 6.7-7.3 H VAL 32 - QB ALA 67 far 0 100 0 - 7.7-8.2 H ILE 7 - QB ALA 67 far 0 90 0 - 7.8-8.1 H VAL 54 - QB ALA 67 far 0 99 0 - 8.6-9.2 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 LEU 38 - QB ALA 67 far 0 92 0 - 5.7-6.4 HA GLU 35 - QB ALA 67 far 0 71 0 - 5.8-6.4 HA ALA 71 - QB ALA 67 far 0 99 0 - 6.4-6.9 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 2.4-2.5 3.6=85, 7103/2.9=57...(16) H ASP 36 - QB ALA 67 far 0 100 0 - 8.8-9.4 H GLU 43 - QB ALA 67 far 0 100 0 - 9.8-10.5 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 1 assignment used, quality = 1.00: * H LYS 68 + HA LYS 68 OK 100 100 100 100 2.8-2.9 2.9=100 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 2.4-2.5 3.0=100 HB3 LYS 68 + HA LYS 68 OK 71 71 100 100 2.4-2.5 3.0=100 HB VAL 5 - HA ARG 19 far 0 87 0 - 5.9-6.8 HB ILE 93 - HA ARG 19 far 0 67 0 - 7.1-8.0 HB3 LYS 66 - HA LYS 68 far 0 88 0 - 7.7-7.9 HB3 LEU 57 - HA ARG 19 far 0 96 0 - 9.2-9.7 HB3 LYS 90 - HA ARG 19 far 0 100 0 - 9.3-9.7 HB2 LEU 42 - HA LYS 68 far 0 75 0 - 9.3-9.8 HB3 LYS 39 - HA LYS 68 far 0 87 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 2989 from cnoeabs.peaks (1.87, 3.81, 59.95 ppm; 2.98 A): 3 out of 10 assignments used, quality = 1.00: * HB3 LYS 68 + HA LYS 68 OK 100 100 100 100 2.4-2.5 3.0=99, 7108/2.9=48...(41) HB2 ARG 19 + HA ARG 19 OK 90 90 100 100 2.4-2.6 3.0=97, 3.0/782=36...(21) HB2 LYS 68 + HA LYS 68 OK 71 71 100 100 2.4-2.5 3.0=99, 2.9/2993=34...(43) HB VAL 5 - HA ARG 19 far 0 98 0 - 5.9-6.8 HB2 LYS 20 - HA ARG 19 far 0 93 0 - 5.9-6.6 HB VAL 54 - HA LYS 68 far 0 97 0 - 7.5-8.0 HB3 LYS 66 - HA LYS 68 far 0 99 0 - 7.7-7.9 HG LEU 42 - HA LYS 68 far 0 85 0 - 7.9-8.5 HB3 LYS 90 - HA ARG 19 far 0 62 0 - 9.3-9.7 HB3 LYS 39 - HA LYS 68 far 0 99 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 2990 from cnoeabs.peaks (1.64, 3.81, 59.95 ppm; 3.93 A increased from 3.49 A): 1 out of 12 assignments used, quality = 1.00: * HG2 LYS 68 + HA LYS 68 OK 100 100 100 100 3.7-3.8 4.0=97, 1.8/3033=74...(42) HD3 LYS 68 - HA LYS 68 far 0 99 0 - 4.6-5.5 HD3 LYS 20 - HA ARG 19 far 0 72 0 - 4.8-8.1 HD2 LYS 68 - HA LYS 68 far 0 99 0 - 4.8-5.5 HG3 LYS 20 - HA ARG 19 far 0 72 0 - 5.2-7.4 HD2 LYS 20 - HA ARG 19 far 0 67 0 - 6.0-7.8 HB ILE 76 - HA LYS 68 far 0 100 0 - 6.7-7.2 HB3 ARG 79 - HA LYS 68 far 0 98 0 - 7.8-8.9 HB2 ARG 30 - HA ARG 19 far 0 58 0 - 8.8-9.4 HD2 LYS 73 - HA LYS 68 far 0 85 0 - 9.6-10.7 HB3 LEU 6 - HA LYS 68 far 0 100 0 - 9.6-10.1 HD3 LYS 73 - HA LYS 68 far 0 88 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 2991 from cnoeabs.peaks (1.35, 3.81, 59.95 ppm; 3.91 A increased from 3.29 A): 2 out of 9 assignments used, quality = 1.00: * HG3 LYS 68 + HA LYS 68 OK 100 100 100 100 3.7-3.9 3033=97, 1.8/2992=74...(42) QB ALA 67 + HA LYS 68 OK 97 98 100 99 3.8-3.8 2985/2.9=66...(12) HB2 LEU 70 - HA LYS 68 far 0 92 0 - 5.3-5.7 QB ALA 89 - HA ARG 19 far 0 98 0 - 6.7-7.0 QB ALA 25 - HA ARG 19 far 0 98 0 - 7.0-7.8 HB3 LEU 27 - HA ARG 19 far 0 99 0 - 8.1-9.4 HB3 ARG 30 - HA ARG 19 far 0 89 0 - 8.4-9.1 HG LEU 14 - HA ARG 19 far 0 100 0 - 9.1-9.5 HG2 LYS 39 - HA LYS 68 far 0 100 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 2992 from cnoeabs.peaks (1.65, 3.81, 59.95 ppm; 3.93 A increased from 3.49 A): 1 out of 11 assignments used, quality = 0.99: HG2 LYS 68 + HA LYS 68 OK 99 99 100 100 3.7-3.8 4.0=97, 1.8/3033=74...(42) HD3 LYS 68 - HA LYS 68 far 0 100 0 - 4.6-5.5 HD3 LYS 20 - HA ARG 19 far 0 89 0 - 4.8-8.1 ! HD2 LYS 68 - HA LYS 68 far 0 100 0 - 4.8-5.5 HG3 LYS 20 - HA ARG 19 far 0 89 0 - 5.2-7.4 HD2 LYS 20 - HA ARG 19 far 0 84 0 - 6.0-7.8 HB ILE 76 - HA LYS 68 far 0 99 0 - 6.7-7.2 HB3 ARG 79 - HA LYS 68 far 0 100 0 - 7.8-8.9 HD2 LYS 73 - HA LYS 68 far 0 96 0 - 9.6-10.7 HB3 LEU 6 - HA LYS 68 far 0 100 0 - 9.6-10.1 HD3 LYS 73 - HA LYS 68 far 0 98 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 2993 from cnoeabs.peaks (1.65, 3.81, 59.95 ppm; 3.93 A increased from 3.49 A): 1 out of 11 assignments used, quality = 0.99: HG2 LYS 68 + HA LYS 68 OK 99 99 100 100 3.7-3.8 4.0=97, 1.8/3033=74...(42) ! HD3 LYS 68 - HA LYS 68 far 0 100 0 - 4.6-5.5 HD3 LYS 20 - HA ARG 19 far 0 87 0 - 4.8-8.1 HD2 LYS 68 - HA LYS 68 far 0 100 0 - 4.8-5.5 HG3 LYS 20 - HA ARG 19 far 0 87 0 - 5.2-7.4 HD2 LYS 20 - HA ARG 19 far 0 83 0 - 6.0-7.8 HB ILE 76 - HA LYS 68 far 0 100 0 - 6.7-7.2 HB3 ARG 79 - HA LYS 68 far 0 100 0 - 7.8-8.9 HD2 LYS 73 - HA LYS 68 far 0 96 0 - 9.6-10.7 HB3 LEU 6 - HA LYS 68 far 0 100 0 - 9.6-10.1 HD3 LYS 73 - HA LYS 68 far 0 97 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 2994 from cnoeabs.peaks (2.91, 3.81, 59.95 ppm; 6.06 A increased from 5.70 A): 2 out of 9 assignments used, quality = 1.00: HE3 LYS 68 + HA LYS 68 OK 100 100 100 100 4.4-6.2 3.6/2992=94, 3.6/3033=94...(57) * HE2 LYS 68 + HA LYS 68 OK 75 100 75 100 4.4-6.7 3.6/2992=94, 3.6/3033=94...(57) HE2 LYS 20 - HA ARG 19 far 0 100 0 - 6.5-9.1 HE3 LYS 20 - HA ARG 19 far 0 100 0 - 6.9-9.1 HG2 MET 21 - HA ARG 19 far 0 76 0 - 7.3-8.4 HE3 LYS 66 - HA LYS 68 far 0 99 0 - 8.3-11.5 HE2 LYS 66 - HA LYS 68 far 0 96 0 - 8.6-11.1 HE3 LYS 73 - HA LYS 68 far 0 65 0 - 8.9-12.0 HE3 LYS 90 - HA ARG 19 far 0 83 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 2995 from cnoeabs.peaks (2.91, 3.81, 59.95 ppm; 6.06 A increased from 5.70 A): 2 out of 9 assignments used, quality = 1.00: * HE3 LYS 68 + HA LYS 68 OK 100 100 100 100 4.4-6.2 3.6/2992=94, 3.6/3033=94...(57) HE2 LYS 68 + HA LYS 68 OK 75 100 75 100 4.4-6.7 3.6/2993=94, 3.6/3033=94...(57) HE2 LYS 20 - HA ARG 19 far 0 100 0 - 6.5-9.1 HE3 LYS 20 - HA ARG 19 far 0 99 0 - 6.9-9.1 HG2 MET 21 - HA ARG 19 far 0 72 0 - 7.3-8.4 HE3 LYS 66 - HA LYS 68 far 0 100 0 - 8.3-11.5 HE2 LYS 66 - HA LYS 68 far 0 98 0 - 8.6-11.1 HE3 LYS 73 - HA LYS 68 far 0 61 0 - 8.9-12.0 HE3 LYS 90 - HA ARG 19 far 0 80 0 - 9.3-10.4 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 3.5-3.5 3.6=100 H GLN 72 + HA LYS 68 OK 63 100 70 90 3.8-4.2 9554/4.9=35, 9557/3.0=33...(8) H ASP 65 - HA LYS 68 far 0 94 0 - 7.4-7.7 Violated in 0 structures by 0.00 A. Peak 2997 from cnoeabs.peaks (4.31, 1.84, 32.18 ppm; 4.71 A increased from 3.97 A): 2 out of 2 assignments used, quality = 0.78: HA ASP 36 + HB3 LYS 39 OK 56 57 100 98 3.3-4.7 10537/1.8=80...(8) * HA ASP 65 + HB2 LYS 68 OK 50 100 50 100 4.8-5.2 9502/2.9=70...(14) Violated in 0 structures by 0.00 A. Peak 2998 from cnoeabs.peaks (8.19, 1.84, 32.18 ppm; 3.72 A increased from 3.51 A): 1 out of 7 assignments used, quality = 1.00: * H LYS 68 + HB2 LYS 68 OK 100 100 100 100 3.6-3.6 7107/1.8=92, 4.0=79...(20) H GLU 43 - HB3 LYS 39 far 0 72 0 - 5.5-6.8 H ASP 36 - HB3 LYS 39 far 0 73 0 - 5.8-6.2 H PHE 96 - HB3 LYS 90 far 0 80 0 - 8.6-9.2 H PHE 96 - HB2 LYS 90 far 0 48 0 - 9.1-9.6 H SER 97 - HB3 LYS 90 far 0 74 0 - 9.5-10.1 H LYS 68 - HB3 LYS 39 far 0 73 0 - 9.7-12.3 Violated in 0 structures by 0.00 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 2.4-2.5 3.0=100 HA ALA 18 - HB3 LYS 90 far 0 74 0 - 5.1-5.8 HA ALA 18 - HB2 LYS 90 far 0 43 0 - 5.7-6.2 HA ALA 22 - HB3 LYS 90 far 0 87 0 - 7.9-8.3 HA ALA 22 - HB2 LYS 90 far 0 54 0 - 9.2-9.6 HA ARG 19 - HB3 LYS 90 far 0 98 0 - 9.3-9.7 HA LYS 68 - HB3 LYS 39 far 0 73 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 3000 from cnoeabs.peaks (1.84, 1.84, 32.18 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB2 LYS 68 + HB2 LYS 68 OK 100 100 - 100 HB3 LYS 90 + HB3 LYS 90 OK 98 98 - 100 HB3 LYS 39 + HB3 LYS 39 OK 57 57 - 100 HB2 LYS 90 + HB2 LYS 90 OK 48 48 - 100 HB2 LYS 12 + HB2 LYS 12 OK 42 42 - 100 HB3 LYS 12 + HB3 LYS 12 OK 36 36 - 100 Peak 3001 from cnoeabs.peaks (1.87, 1.84, 32.18 ppm; diagonal): 5 out of 5 assignments used, quality = 0.99: HB2 LYS 68 + HB2 LYS 68 OK 71 71 - 100 HB3 LYS 39 + HB3 LYS 39 OK 71 71 - 100 HB3 LYS 90 + HB3 LYS 90 OK 60 60 - 100 HB2 LYS 12 + HB2 LYS 12 OK 56 56 - 100 HB3 LYS 12 + HB3 LYS 12 OK 52 52 - 100 Reference assignment not found: HB3 LYS 68 - HB2 LYS 68 Peak 3002 from cnoeabs.peaks (1.64, 1.84, 32.18 ppm; 3.03 A increased from 2.85 A): 4 out of 27 assignments used, quality = 1.00: * HG2 LYS 68 + HB2 LYS 68 OK 100 100 100 100 3.0-3.0 2.9=100 HD3 LYS 68 + HB2 LYS 68 OK 74 99 75 99 2.5-3.7 3.5=65, 1738/1.8=15...(72) HD2 LYS 39 + HB3 LYS 39 OK 65 69 95 99 2.1-3.3 3.6=60, 1737/1.8=41...(38) HD2 LYS 68 + HB2 LYS 68 OK 59 99 60 99 2.5-3.9 3.5=65, 1.8/3056=16...(71) HD3 LYS 39 - HB3 LYS 39 far 0 73 0 - 3.4-3.9 HD2 LYS 94 - HB3 LYS 90 far 0 91 0 - 4.0-7.7 HB2 LYS 40 - HB3 LYS 39 far 0 73 0 - 4.3-6.4 HD2 LYS 94 - HB2 LYS 90 far 0 57 0 - 4.8-8.9 HD2 LYS 73 - HB3 LYS 39 far 0 56 0 - 6.1-11.3 HG3 LYS 20 - HB3 LYS 90 far 0 70 0 - 6.2-9.8 HD3 LYS 20 - HB3 LYS 90 far 0 70 0 - 6.9-10.2 HG3 LYS 20 - HB2 LYS 90 far 0 41 0 - 7.5-10.8 HD2 LYS 20 - HB2 LYS 12 far 0 32 0 - 7.7-9.3 HD3 LYS 73 - HB3 LYS 39 far 0 58 0 - 7.7-11.6 HD3 LYS 20 - HB2 LYS 90 far 0 41 0 - 7.8-11.0 HB3 ARG 79 - HB2 LYS 68 far 0 98 0 - 7.8-9.4 HD2 LYS 20 - HB3 LYS 90 far 0 64 0 - 7.9-10.2 HD3 LYS 20 - HB2 LYS 12 far 0 35 0 - 8.1-10.2 HB ILE 76 - HB2 LYS 68 far 0 100 0 - 8.3-8.8 HG3 LYS 20 - HB2 LYS 12 far 0 35 0 - 8.4-11.9 HD2 LYS 20 - HB2 LYS 90 far 0 37 0 - 8.6-11.0 HD2 LYS 20 - HB3 LYS 12 far 0 29 0 - 9.2-10.8 HB ILE 76 - HB3 LYS 39 far 0 73 0 - 9.4-10.9 HD3 LYS 20 - HB3 LYS 12 far 0 32 0 - 9.7-11.8 HD2 LYS 73 - HB2 LYS 68 far 0 85 0 - 9.9-11.8 HG3 LYS 20 - HB3 LYS 12 far 0 32 0 - 9.9-13.4 HB3 LEU 6 - HB3 LYS 39 far 0 72 0 - 10.0-10.9 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 20 assignments used, quality = 1.00: * HG3 LYS 68 + HB2 LYS 68 OK 100 100 100 100 2.3-2.5 2.9=100 HG2 LYS 39 + HB3 LYS 39 OK 73 73 100 100 2.4-3.0 3.0=100 HB2 LEU 70 - HB3 LYS 39 far 0 62 0 - 4.3-7.3 QB ALA 89 - HB2 LYS 90 far 0 63 0 - 4.5-4.7 HG3 LYS 94 - HB3 LYS 90 far 0 70 0 - 4.8-8.2 QB ALA 67 - HB2 LYS 68 far 0 98 0 - 5.0-5.1 QB ALA 89 - HB3 LYS 90 far 0 97 0 - 5.1-5.2 HG2 LYS 94 - HB3 LYS 90 far 0 97 0 - 5.2-7.6 HG3 LYS 94 - HB2 LYS 90 far 0 41 0 - 5.2-9.2 HG2 LYS 94 - HB2 LYS 90 far 0 63 0 - 5.5-8.3 HG3 LYS 40 - HB3 LYS 39 far 0 70 0 - 6.2-8.2 QB ALA 25 - HB3 LYS 90 far 0 97 0 - 7.1-7.6 HB2 LEU 70 - HB2 LYS 68 far 0 92 0 - 7.2-7.6 QB ALA 67 - HB3 LYS 39 far 0 69 0 - 7.4-9.2 HG LEU 14 - HB2 LYS 90 far 0 66 0 - 7.9-8.7 QB ALA 25 - HB2 LYS 90 far 0 63 0 - 8.3-8.8 HG LEU 14 - HB3 LYS 90 far 0 99 0 - 8.7-9.5 HG LEU 14 - HB2 LYS 12 far 0 57 0 - 9.1-9.4 HG LEU 14 - HB3 LYS 12 far 0 53 0 - 9.3-9.7 HB2 LYS 82 - HB2 LYS 68 far 0 100 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 3004 from cnoeabs.peaks (1.65, 1.84, 32.18 ppm; 3.03 A increased from 2.85 A): 4 out of 30 assignments used, quality = 1.00: HG2 LYS 68 + HB2 LYS 68 OK 99 99 100 100 3.0-3.0 2.9=100 HD3 LYS 68 + HB2 LYS 68 OK 74 100 75 99 2.5-3.7 3.5=65, 1738/1.8=14...(72) HD2 LYS 39 + HB3 LYS 39 OK 69 73 95 99 2.1-3.3 3.6=60, 1737/1.8=40...(38) * HD2 LYS 68 + HB2 LYS 68 OK 59 100 60 99 2.5-3.9 3.5=65, 1.8/3056=16...(71) HD3 LYS 39 - HB3 LYS 39 far 0 70 0 - 3.4-3.9 HD2 LYS 94 - HB3 LYS 90 far 0 77 0 - 4.0-7.7 HB2 LYS 40 - HB3 LYS 39 far 0 72 0 - 4.3-6.4 HB3 ARG 91 - HB2 LYS 90 far 0 43 0 - 4.4-4.8 HB3 LYS 40 - HB3 LYS 39 far 0 48 0 - 4.5-6.9 HD2 LYS 94 - HB2 LYS 90 far 0 46 0 - 4.8-8.9 HB3 ARG 91 - HB3 LYS 90 far 0 74 0 - 5.6-6.0 HD2 LYS 73 - HB3 LYS 39 far 0 67 0 - 6.1-11.3 HG3 LYS 20 - HB3 LYS 90 far 0 86 0 - 6.2-9.8 HD3 LYS 20 - HB3 LYS 90 far 0 86 0 - 6.9-10.2 HG3 LYS 20 - HB2 LYS 90 far 0 53 0 - 7.5-10.8 HD2 LYS 20 - HB2 LYS 12 far 0 43 0 - 7.7-9.3 HD3 LYS 73 - HB3 LYS 39 far 0 68 0 - 7.7-11.6 HD3 LYS 20 - HB2 LYS 90 far 0 53 0 - 7.8-11.0 HB3 ARG 79 - HB2 LYS 68 far 0 100 0 - 7.8-9.4 HD2 LYS 20 - HB3 LYS 90 far 0 82 0 - 7.9-10.2 HD3 LYS 20 - HB2 LYS 12 far 0 46 0 - 8.1-10.2 HB ILE 76 - HB2 LYS 68 far 0 99 0 - 8.3-8.8 HG3 LYS 20 - HB2 LYS 12 far 0 46 0 - 8.4-11.9 HD2 LYS 20 - HB2 LYS 90 far 0 49 0 - 8.6-11.0 HD2 LYS 20 - HB3 LYS 12 far 0 39 0 - 9.2-10.8 HB ILE 76 - HB3 LYS 39 far 0 71 0 - 9.4-10.9 HD3 LYS 20 - HB3 LYS 12 far 0 42 0 - 9.7-11.8 HD2 LYS 73 - HB2 LYS 68 far 0 96 0 - 9.9-11.8 HG3 LYS 20 - HB3 LYS 12 far 0 42 0 - 9.9-13.4 HB3 LEU 6 - HB3 LYS 39 far 0 73 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 3005 from cnoeabs.peaks (1.65, 1.84, 32.18 ppm; 3.03 A increased from 2.85 A): 4 out of 30 assignments used, quality = 1.00: HG2 LYS 68 + HB2 LYS 68 OK 99 99 100 100 3.0-3.0 2.9=100 * HD3 LYS 68 + HB2 LYS 68 OK 74 100 75 99 2.5-3.7 3.5=65, 1738/1.8=14...(72) HD2 LYS 39 + HB3 LYS 39 OK 69 73 95 99 2.1-3.3 3.6=60, 1737/1.8=40...(38) HD2 LYS 68 + HB2 LYS 68 OK 59 100 60 99 2.5-3.9 3.5=65, 1.8/3056=16...(71) HD3 LYS 39 - HB3 LYS 39 far 0 70 0 - 3.4-3.9 HD2 LYS 94 - HB3 LYS 90 far 0 79 0 - 4.0-7.7 HB2 LYS 40 - HB3 LYS 39 far 0 73 0 - 4.3-6.4 HB3 ARG 91 - HB2 LYS 90 far 0 42 0 - 4.4-4.8 HB3 LYS 40 - HB3 LYS 39 far 0 46 0 - 4.5-6.9 HD2 LYS 94 - HB2 LYS 90 far 0 47 0 - 4.8-8.9 HB3 ARG 91 - HB3 LYS 90 far 0 72 0 - 5.6-6.0 HD2 LYS 73 - HB3 LYS 39 far 0 66 0 - 6.1-11.3 HG3 LYS 20 - HB3 LYS 90 far 0 85 0 - 6.2-9.8 HD3 LYS 20 - HB3 LYS 90 far 0 85 0 - 6.9-10.2 HG3 LYS 20 - HB2 LYS 90 far 0 52 0 - 7.5-10.8 HD2 LYS 20 - HB2 LYS 12 far 0 42 0 - 7.7-9.3 HD3 LYS 73 - HB3 LYS 39 far 0 68 0 - 7.7-11.6 HD3 LYS 20 - HB2 LYS 90 far 0 52 0 - 7.8-11.0 HB3 ARG 79 - HB2 LYS 68 far 0 100 0 - 7.8-9.4 HD2 LYS 20 - HB3 LYS 90 far 0 80 0 - 7.9-10.2 HD3 LYS 20 - HB2 LYS 12 far 0 45 0 - 8.1-10.2 HB ILE 76 - HB2 LYS 68 far 0 100 0 - 8.3-8.8 HG3 LYS 20 - HB2 LYS 12 far 0 45 0 - 8.4-11.9 HD2 LYS 20 - HB2 LYS 90 far 0 48 0 - 8.6-11.0 HD2 LYS 20 - HB3 LYS 12 far 0 38 0 - 9.2-10.8 HB ILE 76 - HB3 LYS 39 far 0 72 0 - 9.4-10.9 HD3 LYS 20 - HB3 LYS 12 far 0 41 0 - 9.7-11.8 HD2 LYS 73 - HB2 LYS 68 far 0 96 0 - 9.9-11.8 HG3 LYS 20 - HB3 LYS 12 far 0 41 0 - 9.9-13.4 HB3 LEU 6 - HB3 LYS 39 far 0 73 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 3006 from cnoeabs.peaks (2.91, 1.84, 32.18 ppm; 3.80 A): 7 out of 28 assignments used, quality = 0.99: HG2 MET 21 + HB3 LYS 90 OK 72 74 100 98 2.0-2.2 3920/3.0=38, 8557/2.8=30...(24) HE3 LYS 68 + HB2 LYS 68 OK 60 100 60 100 2.3-4.6 5.0=44, 4267/2.9=18...(81) * HE2 LYS 68 + HB2 LYS 68 OK 55 100 55 100 2.0-4.9 5.0=44, 3.0/3002=18...(81) HE3 LYS 39 + HB3 LYS 39 OK 45 45 100 100 2.0-3.4 4.9=46, ~1686=29...(40) HG2 MET 21 + HB2 LYS 90 OK 42 43 100 98 3.6-3.7 3920/3.0=38, 8557/2.8=30...(24) HE3 LYS 90 + HB3 LYS 90 OK 36 80 45 100 2.6-4.6 4.8=48, 4005/2.8=48...(32) HE2 LYS 39 + HB3 LYS 39 OK 31 36 85 100 2.0-4.3 4.9=46, 1.8/1749=29...(40) HE3 LYS 90 - HB2 LYS 90 poor 10 48 20 - 2.9-4.5 HE2 LYS 94 - HB2 LYS 90 far 0 63 0 - 5.8-10.1 HE2 LYS 94 - HB3 LYS 90 far 0 97 0 - 6.0-9.1 HE3 LYS 94 - HB3 LYS 90 far 0 99 0 - 6.1-9.0 HE2 LYS 20 - HB3 LYS 90 far 0 99 0 - 6.2-11.7 HE3 LYS 94 - HB2 LYS 90 far 0 66 0 - 6.2-10.0 HE3 LYS 73 - HB3 LYS 39 far 0 41 0 - 6.2-13.3 HE2 LYS 20 - HB2 LYS 12 far 0 57 0 - 6.8-11.1 HE2 LYS 20 - HB2 LYS 90 far 0 66 0 - 6.8-12.5 HE2 LYS 66 - HB3 LYS 39 far 0 67 0 - 7.0-13.5 HE3 LYS 66 - HB3 LYS 39 far 0 71 0 - 7.3-12.6 HE3 LYS 20 - HB3 LYS 90 far 0 98 0 - 7.3-11.2 HE3 LYS 20 - HB2 LYS 12 far 0 57 0 - 7.9-12.2 HB2 ASN 10 - HB3 LYS 12 far 0 45 0 - 7.9-9.0 HE3 LYS 20 - HB2 LYS 90 far 0 65 0 - 8.1-12.1 HE3 LYS 66 - HB2 LYS 68 far 0 99 0 - 8.2-11.9 HE2 LYS 20 - HB3 LYS 12 far 0 53 0 - 8.6-12.7 HE3 LYS 73 - HB2 LYS 68 far 0 65 0 - 9.1-12.6 HB2 ASN 10 - HB2 LYS 12 far 0 50 0 - 9.2-10.1 HE2 LYS 66 - HB2 LYS 68 far 0 96 0 - 9.3-11.5 HE3 LYS 20 - HB3 LYS 12 far 0 52 0 - 9.5-13.7 Violated in 0 structures by 0.00 A. Peak 3007 from cnoeabs.peaks (2.91, 1.84, 32.18 ppm; 3.80 A): 7 out of 28 assignments used, quality = 0.99: HG2 MET 21 + HB3 LYS 90 OK 69 70 100 98 2.0-2.2 3920/3.0=35, 8557/2.8=28...(24) * HE3 LYS 68 + HB2 LYS 68 OK 60 100 60 100 2.3-4.6 5.0=44, 4267/2.9=18...(81) HE2 LYS 68 + HB2 LYS 68 OK 55 100 55 100 2.0-4.9 5.0=44, 3.0/3002=18...(81) HE3 LYS 39 + HB3 LYS 39 OK 48 48 100 100 2.0-3.4 4.9=46, ~1686=29...(40) HG2 MET 21 + HB2 LYS 90 OK 40 41 100 98 3.6-3.7 3920/3.0=35, 8557/2.8=28...(24) HE3 LYS 90 + HB3 LYS 90 OK 35 77 45 100 2.6-4.6 4.8=48, 4005/2.8=46...(32) HE2 LYS 39 + HB3 LYS 39 OK 33 39 85 100 2.0-4.3 4.9=46, 1.8/1749=29...(40) HE3 LYS 90 - HB2 LYS 90 poor 9 46 20 - 2.9-4.5 HE2 LYS 94 - HB2 LYS 90 far 0 62 0 - 5.8-10.1 HE2 LYS 94 - HB3 LYS 90 far 0 96 0 - 6.0-9.1 HE3 LYS 94 - HB3 LYS 90 far 0 98 0 - 6.1-9.0 HE2 LYS 20 - HB3 LYS 90 far 0 98 0 - 6.2-11.7 HE3 LYS 94 - HB2 LYS 90 far 0 65 0 - 6.2-10.0 HE3 LYS 73 - HB3 LYS 39 far 0 38 0 - 6.2-13.3 HE2 LYS 20 - HB2 LYS 12 far 0 57 0 - 6.8-11.1 HE2 LYS 20 - HB2 LYS 90 far 0 65 0 - 6.8-12.5 HE2 LYS 66 - HB3 LYS 39 far 0 68 0 - 7.0-13.5 HE3 LYS 66 - HB3 LYS 39 far 0 72 0 - 7.3-12.6 HE3 LYS 20 - HB3 LYS 90 far 0 98 0 - 7.3-11.2 HE3 LYS 20 - HB2 LYS 12 far 0 57 0 - 7.9-12.2 HB2 ASN 10 - HB3 LYS 12 far 0 44 0 - 7.9-9.0 HE3 LYS 20 - HB2 LYS 90 far 0 65 0 - 8.1-12.1 HE3 LYS 66 - HB2 LYS 68 far 0 100 0 - 8.2-11.9 HE2 LYS 20 - HB3 LYS 12 far 0 52 0 - 8.6-12.7 HE3 LYS 73 - HB2 LYS 68 far 0 61 0 - 9.1-12.6 HB2 ASN 10 - HB2 LYS 12 far 0 48 0 - 9.2-10.1 HE2 LYS 66 - HB2 LYS 68 far 0 98 0 - 9.3-11.5 HE3 LYS 20 - HB3 LYS 12 far 0 52 0 - 9.5-13.7 Violated in 0 structures by 0.00 A. Peak 3008 from cnoeabs.peaks (7.90, 1.84, 32.18 ppm; 4.05 A increased from 3.81 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 69 + HB2 LYS 68 OK 100 100 100 100 3.8-4.0 4.6=67, 7126/2.9=65...(19) H GLN 72 - HB2 LYS 68 far 0 100 0 - 4.9-5.3 H ASP 65 - HB2 LYS 68 far 0 94 0 - 7.1-7.4 H GLN 72 - HB3 LYS 39 far 0 72 0 - 8.2-10.8 H GLU 69 - HB3 LYS 39 far 0 73 0 - 8.9-11.8 Violated in 0 structures by 0.00 A. Peak 3009 from cnoeabs.peaks (4.31, 1.87, 32.18 ppm; 4.65 A increased from 3.72 A): 2 out of 2 assignments used, quality = 1.00: * HA ASP 65 + HB3 LYS 68 OK 100 100 100 100 4.2-4.5 7100/7108=78...(15) HA ASP 36 + HB3 LYS 39 OK 81 83 100 98 3.3-4.7 10537/1.8=79...(8) Violated in 0 structures by 0.00 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 2.5-2.7 7108=100, 7111/2.9=63...(22) H GLU 43 - HB3 LYS 39 far 0 97 0 - 5.5-6.8 H ASP 36 - HB3 LYS 39 far 0 98 0 - 5.8-6.2 H LYS 68 - HB3 LYS 39 far 0 98 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 3011 from cnoeabs.peaks (3.81, 1.87, 32.18 ppm; 3.31 A): 1 out of 5 assignments used, quality = 1.00: * HA LYS 68 + HB3 LYS 68 OK 100 100 100 100 2.4-2.5 3.0=100 HA ARG 19 - HB2 LYS 20 far 0 86 0 - 5.9-6.6 HA ALA 18 - HB2 LYS 20 far 0 60 0 - 6.8-7.3 HA ALA 22 - HB2 LYS 20 far 0 73 0 - 7.7-8.5 HA LYS 68 - HB3 LYS 39 far 0 98 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 3012 from cnoeabs.peaks (1.84, 1.87, 32.18 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB3 LYS 39 + HB3 LYS 39 OK 83 83 - 100 HB3 LYS 68 + HB3 LYS 68 OK 71 71 - 100 HB2 LYS 12 + HB2 LYS 12 OK 70 70 - 100 HB3 LYS 12 + HB3 LYS 12 OK 68 68 - 100 Reference assignment not found: HB2 LYS 68 - HB3 LYS 68 Peak 3013 from cnoeabs.peaks (1.87, 1.87, 32.18 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 LYS 68 + HB3 LYS 68 OK 100 100 - 100 HB3 LYS 39 + HB3 LYS 39 OK 96 96 - 100 HB3 LYS 12 + HB3 LYS 12 OK 90 90 - 100 HB2 LYS 12 + HB2 LYS 12 OK 88 88 - 100 HB2 LYS 20 + HB2 LYS 20 OK 77 77 - 100 Peak 3014 from cnoeabs.peaks (1.64, 1.87, 32.18 ppm; 2.69 A): 5 out of 21 assignments used, quality = 1.00: * HG2 LYS 68 + HB3 LYS 68 OK 98 100 100 98 2.4-2.6 2.9=83, 7109/7108=36...(30) HD2 LYS 39 + HB3 LYS 39 OK 69 95 75 97 2.1-3.3 3.6=42, 1737/1.8=32...(39) HG3 LYS 20 + HB2 LYS 20 OK 45 57 85 93 2.3-3.0 3.0=76, ~848=17, ~883=16...(34) HD3 LYS 68 + HB3 LYS 68 OK 38 99 40 95 2.3-3.7 3.5=46, 3056/1.8=12...(62) HD2 LYS 68 + HB3 LYS 68 OK 38 99 40 95 2.4-3.7 3.5=46, 1.8/1738=12...(57) HD3 LYS 20 - HB2 LYS 20 poor 17 57 30 - 2.1-3.9 HD2 LYS 20 - HB2 LYS 20 far 5 52 10 - 2.4-4.0 HD3 LYS 39 - HB3 LYS 39 far 0 98 0 - 3.4-3.9 HB2 LYS 40 - HB3 LYS 39 far 0 98 0 - 4.3-6.4 HD2 LYS 73 - HB3 LYS 39 far 0 81 0 - 6.1-11.3 HB3 ARG 79 - HB3 LYS 68 far 0 98 0 - 7.0-8.6 HD2 LYS 20 - HB2 LYS 12 far 0 55 0 - 7.7-9.3 HD3 LYS 73 - HB3 LYS 39 far 0 84 0 - 7.7-11.6 HD3 LYS 20 - HB2 LYS 12 far 0 60 0 - 8.1-10.2 HG3 LYS 20 - HB2 LYS 12 far 0 60 0 - 8.4-11.9 HB ILE 76 - HB3 LYS 68 far 0 100 0 - 9.0-9.6 HD2 LYS 20 - HB3 LYS 12 far 0 56 0 - 9.2-10.8 HB ILE 76 - HB3 LYS 39 far 0 98 0 - 9.4-10.9 HD3 LYS 20 - HB3 LYS 12 far 0 61 0 - 9.7-11.8 HG3 LYS 20 - HB3 LYS 12 far 0 61 0 - 9.9-13.4 HB3 LEU 6 - HB3 LYS 39 far 0 97 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 3015 from cnoeabs.peaks (1.35, 1.87, 32.18 ppm; 3.28 A): 2 out of 12 assignments used, quality = 1.00: * HG3 LYS 68 + HB3 LYS 68 OK 100 100 100 100 3.0-3.0 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 far 0 98 0 - 3.8-4.0 HB2 LEU 70 - HB3 LYS 39 far 0 88 0 - 4.3-7.3 HG3 LYS 40 - HB3 LYS 39 far 0 96 0 - 6.2-8.2 HB2 LEU 70 - HB3 LYS 68 far 0 92 0 - 7.1-7.5 QB ALA 67 - HB3 LYS 39 far 0 95 0 - 7.4-9.2 HB2 LYS 82 - HB3 LYS 68 far 0 100 0 - 8.0-9.1 QB ALA 25 - HB2 LYS 20 far 0 83 0 - 8.1-9.2 QB ALA 89 - HB2 LYS 20 far 0 83 0 - 8.5-9.2 HG LEU 14 - HB2 LYS 12 far 0 90 0 - 9.1-9.4 HG LEU 14 - HB3 LYS 12 far 0 91 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 3016 from cnoeabs.peaks (1.65, 1.87, 32.18 ppm; 2.69 A): 5 out of 22 assignments used, quality = 1.00: HG2 LYS 68 + HB3 LYS 68 OK 97 99 100 98 2.4-2.6 2.9=83, 7111/7108=36...(30) HD2 LYS 39 + HB3 LYS 39 OK 71 98 75 97 2.1-3.3 3.6=42, 1737/1.8=31...(39) HG3 LYS 20 + HB2 LYS 20 OK 57 72 85 93 2.3-3.0 3.0=76, 893/4.0=17...(34) * HD2 LYS 68 + HB3 LYS 68 OK 38 100 40 95 2.4-3.7 3.5=46, 1.8/1738=12...(57) HD3 LYS 68 + HB3 LYS 68 OK 38 100 40 95 2.3-3.7 3.5=46, 3056/1.8=13...(62) HD3 LYS 20 - HB2 LYS 20 poor 19 72 30 88 2.1-3.9 3.5=44, ~848=10, ~883=10...(46) HD2 LYS 20 - HB2 LYS 20 far 7 68 10 - 2.4-4.0 HD3 LYS 39 - HB3 LYS 39 far 0 95 0 - 3.4-3.9 HB2 LYS 40 - HB3 LYS 39 far 0 97 0 - 4.3-6.4 HB3 LYS 40 - HB3 LYS 39 far 0 71 0 - 4.5-6.9 HD2 LYS 73 - HB3 LYS 39 far 0 93 0 - 6.1-11.3 HB3 ARG 79 - HB3 LYS 68 far 0 100 0 - 7.0-8.6 HD2 LYS 20 - HB2 LYS 12 far 0 71 0 - 7.7-9.3 HD3 LYS 73 - HB3 LYS 39 far 0 94 0 - 7.7-11.6 HD3 LYS 20 - HB2 LYS 12 far 0 75 0 - 8.1-10.2 HG3 LYS 20 - HB2 LYS 12 far 0 75 0 - 8.4-11.9 HB ILE 76 - HB3 LYS 68 far 0 99 0 - 9.0-9.6 HD2 LYS 20 - HB3 LYS 12 far 0 72 0 - 9.2-10.8 HB ILE 76 - HB3 LYS 39 far 0 97 0 - 9.4-10.9 HD3 LYS 20 - HB3 LYS 12 far 0 77 0 - 9.7-11.8 HG3 LYS 20 - HB3 LYS 12 far 0 77 0 - 9.9-13.4 HB3 LEU 6 - HB3 LYS 39 far 0 98 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 3017 from cnoeabs.peaks (1.65, 1.87, 32.18 ppm; 2.69 A): 5 out of 22 assignments used, quality = 1.00: HG2 LYS 68 + HB3 LYS 68 OK 97 99 100 98 2.4-2.6 2.9=83, 7112/7108=36...(30) HD2 LYS 39 + HB3 LYS 39 OK 71 98 75 97 2.1-3.3 3.6=42, 1737/1.8=31...(39) HG3 LYS 20 + HB2 LYS 20 OK 56 71 85 93 2.3-3.0 3.0=76, ~848=17...(34) HD2 LYS 68 + HB3 LYS 68 OK 38 100 40 95 2.4-3.7 3.5=46, 1.8/1738=12...(57) * HD3 LYS 68 + HB3 LYS 68 OK 38 100 40 95 2.3-3.7 3.5=46, 3056/1.8=13...(62) HD3 LYS 20 - HB2 LYS 20 poor 19 71 30 87 2.1-3.9 3.5=44, ~848=10, ~883=10...(46) HD2 LYS 20 - HB2 LYS 20 far 7 66 10 - 2.4-4.0 HD3 LYS 39 - HB3 LYS 39 far 0 96 0 - 3.4-3.9 HB2 LYS 40 - HB3 LYS 39 far 0 98 0 - 4.3-6.4 HB3 LYS 40 - HB3 LYS 39 far 0 69 0 - 4.5-6.9 HD2 LYS 73 - HB3 LYS 39 far 0 92 0 - 6.1-11.3 HB3 ARG 79 - HB3 LYS 68 far 0 100 0 - 7.0-8.6 HD2 LYS 20 - HB2 LYS 12 far 0 70 0 - 7.7-9.3 HD3 LYS 73 - HB3 LYS 39 far 0 94 0 - 7.7-11.6 HD3 LYS 20 - HB2 LYS 12 far 0 74 0 - 8.1-10.2 HG3 LYS 20 - HB2 LYS 12 far 0 74 0 - 8.4-11.9 HB ILE 76 - HB3 LYS 68 far 0 100 0 - 9.0-9.6 HD2 LYS 20 - HB3 LYS 12 far 0 71 0 - 9.2-10.8 HB ILE 76 - HB3 LYS 39 far 0 97 0 - 9.4-10.9 HD3 LYS 20 - HB3 LYS 12 far 0 75 0 - 9.7-11.8 HG3 LYS 20 - HB3 LYS 12 far 0 75 0 - 9.9-13.4 HB3 LEU 6 - HB3 LYS 39 far 0 98 0 - 10.0-10.9 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 19 assignments used, quality = 0.99: HE3 LYS 39 + HB3 LYS 39 OK 67 67 100 100 2.0-3.4 4.9=42, 1.8/1749=29...(41) HE2 LYS 20 + HB2 LYS 20 OK 59 86 70 98 2.3-5.5 4.7=48, 929/1.8=15...(63) * HE2 LYS 68 + HB3 LYS 68 OK 55 100 55 99 2.3-4.9 5.0=40, 3.6/3014=21...(76) HE3 LYS 68 + HB3 LYS 68 OK 55 100 55 99 2.0-4.5 5.0=40, 3.6/3014=21...(76) HE3 LYS 20 + HB2 LYS 20 OK 51 86 60 98 2.0-4.7 4.7=48, 929/1.8=17...(79) HE2 LYS 39 + HB3 LYS 39 OK 44 56 80 100 2.0-4.3 4.9=42, 1.8/1749=34...(41) HE3 LYS 73 - HB3 LYS 39 far 0 61 0 - 6.2-13.3 HG2 MET 21 - HB2 LYS 20 far 0 60 0 - 6.2-7.7 HE3 LYS 90 - HB2 LYS 20 far 0 66 0 - 6.5-7.8 HE2 LYS 20 - HB2 LYS 12 far 0 90 0 - 6.8-11.1 HE2 LYS 66 - HB3 LYS 39 far 0 93 0 - 7.0-13.5 HE3 LYS 66 - HB3 LYS 39 far 0 96 0 - 7.3-12.6 HE3 LYS 66 - HB3 LYS 68 far 0 99 0 - 7.9-11.4 HE3 LYS 20 - HB2 LYS 12 far 0 90 0 - 7.9-12.2 HB2 ASN 10 - HB3 LYS 12 far 0 81 0 - 7.9-9.0 HE2 LYS 20 - HB3 LYS 12 far 0 91 0 - 8.6-12.7 HE2 LYS 66 - HB3 LYS 68 far 0 96 0 - 9.1-11.1 HB2 ASN 10 - HB2 LYS 12 far 0 80 0 - 9.2-10.1 HE3 LYS 20 - HB3 LYS 12 far 0 91 0 - 9.5-13.7 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 19 assignments used, quality = 0.99: HE3 LYS 39 + HB3 LYS 39 OK 71 71 100 100 2.0-3.4 4.9=42, 1.8/1749=29...(41) HE2 LYS 20 + HB2 LYS 20 OK 59 86 70 98 2.3-5.5 4.7=48, 929/1.8=15...(63) HE2 LYS 68 + HB3 LYS 68 OK 55 100 55 99 2.3-4.9 5.0=40, 3.6/3014=21...(76) * HE3 LYS 68 + HB3 LYS 68 OK 55 100 55 99 2.0-4.5 5.0=40, 3.6/3014=21...(76) HE3 LYS 20 + HB2 LYS 20 OK 50 86 60 98 2.0-4.7 4.7=48, 929/1.8=17...(79) HE2 LYS 39 + HB3 LYS 39 OK 47 60 80 100 2.0-4.3 4.9=42, 1.8/1749=34...(41) HE3 LYS 73 - HB3 LYS 39 far 0 58 0 - 6.2-13.3 HG2 MET 21 - HB2 LYS 20 far 0 57 0 - 6.2-7.7 HE3 LYS 90 - HB2 LYS 20 far 0 63 0 - 6.5-7.8 HE2 LYS 20 - HB2 LYS 12 far 0 89 0 - 6.8-11.1 HE2 LYS 66 - HB3 LYS 39 far 0 94 0 - 7.0-13.5 HE3 LYS 66 - HB3 LYS 39 far 0 97 0 - 7.3-12.6 HE3 LYS 66 - HB3 LYS 68 far 0 100 0 - 7.9-11.4 HE3 LYS 20 - HB2 LYS 12 far 0 89 0 - 7.9-12.2 HB2 ASN 10 - HB3 LYS 12 far 0 79 0 - 7.9-9.0 HE2 LYS 20 - HB3 LYS 12 far 0 91 0 - 8.6-12.7 HE2 LYS 66 - HB3 LYS 68 far 0 98 0 - 9.1-11.1 HB2 ASN 10 - HB2 LYS 12 far 0 78 0 - 9.2-10.1 HE3 LYS 20 - HB3 LYS 12 far 0 90 0 - 9.5-13.7 Violated in 0 structures by 0.00 A. Peak 3020 from cnoeabs.peaks (7.90, 1.87, 32.18 ppm; 4.07 A increased from 3.83 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 69 + HB3 LYS 68 OK 100 100 100 100 3.9-4.1 7115/7108=78, 4.6=68...(22) H ASP 65 - HB3 LYS 68 far 0 94 0 - 5.8-6.4 H GLN 72 - HB3 LYS 68 far 0 100 0 - 6.0-6.3 H GLN 72 - HB3 LYS 39 far 0 97 0 - 8.2-10.8 H GLU 69 - HB3 LYS 39 far 0 98 0 - 8.9-11.8 Violated in 1 structures by 0.00 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 1.9-2.3 7109=100, 7107/2.9=80...(21) H GLU 43 - HG3 LYS 47 far 0 61 0 - 6.7-8.2 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 3.7-3.8 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 3.0-3.0 2.9=100 HB3 LYS 68 + HG2 LYS 68 OK 71 71 100 100 2.4-2.6 2.9=100 HG2 ARG 46 - HG3 LYS 47 far 0 58 0 - 4.5-8.1 HB3 LYS 66 - HG2 LYS 68 far 0 88 0 - 6.1-6.5 HB2 LEU 42 - HG3 LYS 47 far 0 40 0 - 8.7-10.2 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 5 assignments used, quality = 1.00: * HB3 LYS 68 + HG2 LYS 68 OK 100 100 100 100 2.4-2.6 2.9=100 HB2 LYS 68 + HG2 LYS 68 OK 71 71 100 100 3.0-3.0 2.9=100 HB2 GLU 43 - HG3 LYS 47 far 0 35 0 - 5.2-6.2 HB3 LYS 66 - HG2 LYS 68 far 0 99 0 - 6.1-6.5 HG LEU 42 - HG3 LYS 47 far 0 47 0 - 10.0-11.8 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 - 3.9-4.2 HB2 LEU 70 - HG2 LYS 68 far 0 92 0 - 6.5-7.3 HB2 LYS 82 - HG2 LYS 68 far 0 100 0 - 8.3-9.0 HB3 LEU 2 - HG3 LYS 47 far 0 56 0 - 9.4-12.2 HG3 LYS 40 - HG3 LYS 47 far 0 60 0 - 9.9-12.3 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 2.8-4.2 3.6=100 HE3 LYS 68 + HG2 LYS 68 OK 100 100 100 100 2.3-4.2 3.6=100 HE3 LYS 66 - HG2 LYS 68 far 0 99 0 - 5.6-9.4 HE2 LYS 66 - HG2 LYS 68 far 0 96 0 - 6.7-9.1 HE3 LYS 73 - HG2 LYS 68 far 0 65 0 - 9.2-12.3 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 2.3-4.2 3.6=100 HE2 LYS 68 + HG2 LYS 68 OK 100 100 100 100 2.8-4.2 3.6=100 HE3 LYS 66 - HG2 LYS 68 far 0 100 0 - 5.6-9.4 HE2 LYS 66 - HG2 LYS 68 far 0 98 0 - 6.7-9.1 HE3 LYS 73 - HG2 LYS 68 far 0 61 0 - 9.2-12.3 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 2.3-2.9 7126=100, 7127/1.8=99...(20) H ASP 65 + HG2 LYS 68 OK 94 94 100 100 4.3-4.5 3.0/10268=67...(21) H GLN 72 - HG2 LYS 68 far 0 100 0 - 6.2-6.5 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 3 assignments used, quality = 1.00: * H LYS 68 + HG3 LYS 68 OK 100 100 100 100 3.2-3.4 7111/1.8=96, 7107/2.9=85...(19) H GLU 43 - HG2 LYS 39 far 0 66 0 - 4.6-6.0 H ASP 36 - HG2 LYS 39 far 0 67 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 3033 from cnoeabs.peaks (3.81, 1.35, 25.26 ppm; 3.95 A increased from 3.72 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 68 + HG3 LYS 68 OK 100 100 100 100 3.7-3.9 4.0=98, 2993/1.8=76...(42) HA LYS 68 - HG2 LYS 39 far 0 67 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 3034 from cnoeabs.peaks (1.84, 1.35, 25.26 ppm; 3.16 A): 3 out of 7 assignments used, quality = 1.00: * HB2 LYS 68 + HG3 LYS 68 OK 100 100 100 100 2.3-2.5 2.9=100 HB3 LYS 68 + HG3 LYS 68 OK 71 71 100 100 3.0-3.0 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 far 0 43 0 - 3.6-4.3 HB3 LYS 66 - HG3 LYS 68 far 0 88 0 - 7.2-7.6 HG2 ARG 46 - HG2 LYS 39 far 0 62 0 - 8.0-10.6 HB3 LYS 66 - HG2 LYS 39 far 0 53 0 - 9.8-11.7 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 7 assignments used, quality = 1.00: * HB3 LYS 68 + HG3 LYS 68 OK 100 100 100 100 3.0-3.0 2.9=100 HB2 LYS 68 + HG3 LYS 68 OK 71 71 100 100 2.3-2.5 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 - 5.6-6.0 HB2 GLU 43 - HG2 LYS 39 far 0 38 0 - 6.1-8.0 HB3 LYS 66 - HG3 LYS 68 far 0 99 0 - 7.2-7.6 HB3 LYS 66 - HG2 LYS 39 far 0 64 0 - 9.8-11.7 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 13 assignments used, quality = 1.00: * HG2 LYS 68 + HG3 LYS 68 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 39 + HG2 LYS 39 OK 66 67 100 99 2.3-2.7 3.0=63, 1720/1.8=41...(65) HD3 LYS 68 + HG3 LYS 68 OK 65 99 70 93 2.4-3.0 3.0=63, 1.8/3048=11...(52) HD2 LYS 68 + HG3 LYS 68 OK 55 99 60 93 2.3-3.0 3.0=63, 1.8/3048=12...(51) HD2 LYS 39 + HG2 LYS 39 OK 31 63 50 98 2.4-3.0 3.0=63, 1740/1.8=26...(42) HD2 LYS 73 - HG2 LYS 39 far 0 51 0 - 4.8-9.4 HB2 LYS 40 - HG2 LYS 39 far 0 67 0 - 6.3-7.2 HD3 LYS 73 - HG2 LYS 39 far 0 53 0 - 6.6-10.1 HB ILE 76 - HG2 LYS 39 far 0 67 0 - 8.1-8.8 HD2 LYS 73 - HG3 LYS 68 far 0 85 0 - 8.5-11.3 HD3 LYS 73 - HG3 LYS 68 far 0 88 0 - 8.6-11.4 HB ILE 76 - HG3 LYS 68 far 0 100 0 - 9.7-10.4 HB3 ARG 79 - HG3 LYS 68 far 0 98 0 - 9.9-11.5 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 14 assignments used, quality = 1.00: HG2 LYS 68 + HG3 LYS 68 OK 99 99 100 100 1.8-1.8 1.8=100 HD3 LYS 68 + HG3 LYS 68 OK 65 100 70 93 2.4-3.0 3.0=63, 1.8/3048=11...(52) HD3 LYS 39 + HG2 LYS 39 OK 63 64 100 99 2.3-2.7 3.0=63, 1719/1.8=40...(65) * HD2 LYS 68 + HG3 LYS 68 OK 56 100 60 93 2.3-3.0 3.0=63, 1.8/3048=12...(51) HD2 LYS 39 + HG2 LYS 39 OK 33 67 50 98 2.4-3.0 3.0=63, 1740/1.8=26...(42) HD2 LYS 73 - HG2 LYS 39 far 0 61 0 - 4.8-9.4 HB3 LYS 40 - HG2 LYS 39 far 0 43 0 - 6.1-7.7 HB2 LYS 40 - HG2 LYS 39 far 0 66 0 - 6.3-7.2 HD3 LYS 73 - HG2 LYS 39 far 0 62 0 - 6.6-10.1 HB ILE 76 - HG2 LYS 39 far 0 65 0 - 8.1-8.8 HD2 LYS 73 - HG3 LYS 68 far 0 96 0 - 8.5-11.3 HD3 LYS 73 - HG3 LYS 68 far 0 98 0 - 8.6-11.4 HB ILE 76 - HG3 LYS 68 far 0 99 0 - 9.7-10.4 HB3 ARG 79 - HG3 LYS 68 far 0 100 0 - 9.9-11.5 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 14 assignments used, quality = 1.00: HG2 LYS 68 + HG3 LYS 68 OK 99 99 100 100 1.8-1.8 1.8=100 * HD3 LYS 68 + HG3 LYS 68 OK 65 100 70 93 2.4-3.0 3.0=63, 1.8/3048=11...(52) HD3 LYS 39 + HG2 LYS 39 OK 63 64 100 99 2.3-2.7 3.0=63, 1719/1.8=40...(65) HD2 LYS 68 + HG3 LYS 68 OK 56 100 60 93 2.3-3.0 3.0=63, 1.8/3048=12...(51) HD2 LYS 39 + HG2 LYS 39 OK 33 67 50 98 2.4-3.0 3.0=63, 1740/1.8=26...(42) HD2 LYS 73 - HG2 LYS 39 far 0 60 0 - 4.8-9.4 HB3 LYS 40 - HG2 LYS 39 far 0 42 0 - 6.1-7.7 HB2 LYS 40 - HG2 LYS 39 far 0 66 0 - 6.3-7.2 HD3 LYS 73 - HG2 LYS 39 far 0 62 0 - 6.6-10.1 HB ILE 76 - HG2 LYS 39 far 0 66 0 - 8.1-8.8 HD2 LYS 73 - HG3 LYS 68 far 0 96 0 - 8.5-11.3 HD3 LYS 73 - HG3 LYS 68 far 0 97 0 - 8.6-11.4 HB ILE 76 - HG3 LYS 68 far 0 100 0 - 9.7-10.4 HB3 ARG 79 - HG3 LYS 68 far 0 100 0 - 9.9-11.5 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 2.4-4.1 3.6=100 HE3 LYS 68 + HG3 LYS 68 OK 100 100 100 100 2.3-3.7 3.6=100 HE3 LYS 39 + HG2 LYS 39 OK 41 41 100 100 2.6-3.8 3.5=100 HE2 LYS 39 + HG2 LYS 39 OK 26 33 80 100 2.2-4.2 3.5=100 HE3 LYS 73 - HG2 LYS 39 far 0 37 0 - 4.6-10.8 HE3 LYS 66 - HG3 LYS 68 far 0 99 0 - 6.0-9.8 HE2 LYS 66 - HG3 LYS 68 far 0 96 0 - 7.0-9.4 HE3 LYS 73 - HG3 LYS 68 far 0 65 0 - 7.7-11.5 HE2 LYS 66 - HG2 LYS 39 far 0 61 0 - 8.5-13.1 HE3 LYS 66 - HG2 LYS 39 far 0 65 0 - 8.7-12.9 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 2.3-3.7 3.6=100 HE2 LYS 68 + HG3 LYS 68 OK 100 100 100 100 2.4-4.1 3.6=100 HE3 LYS 39 + HG2 LYS 39 OK 43 43 100 100 2.6-3.8 3.5=100 HE2 LYS 39 + HG2 LYS 39 OK 28 35 80 100 2.2-4.2 3.5=100 HE3 LYS 73 - HG2 LYS 39 far 0 34 0 - 4.6-10.8 HE3 LYS 66 - HG3 LYS 68 far 0 100 0 - 6.0-9.8 HE2 LYS 66 - HG3 LYS 68 far 0 98 0 - 7.0-9.4 HE3 LYS 73 - HG3 LYS 68 far 0 61 0 - 7.7-11.5 HE2 LYS 66 - HG2 LYS 39 far 0 62 0 - 8.5-13.1 HE3 LYS 66 - HG2 LYS 39 far 0 66 0 - 8.7-12.9 Violated in 0 structures by 0.00 A. Peak 3042 from cnoeabs.peaks (7.90, 1.35, 25.26 ppm; 5.00 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 69 + HG3 LYS 68 OK 100 100 100 100 2.4-2.7 7127=100, 7129/1.8=98...(19) H GLN 72 - HG3 LYS 68 far 15 100 15 - 5.2-5.7 H ASP 65 - HG3 LYS 68 far 0 94 0 - 5.8-6.0 H GLN 72 - HG2 LYS 39 far 0 66 0 - 7.7-9.2 H GLU 69 - HG2 LYS 39 far 0 67 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 3043 from cnoeabs.peaks (8.19, 1.65, 29.52 ppm; 4.91 A increased from 4.13 A): 2 out of 10 assignments used, quality = 1.00: * H LYS 68 + HD2 LYS 68 OK 100 100 100 100 3.6-4.9 7111/3.0=93, 7107/3.5=90...(23) H LYS 68 + HD3 LYS 68 OK 100 100 100 100 3.6-4.9 7109/3.0=93, 7107/3.5=90...(23) H ASP 36 - HD2 LYS 39 far 0 96 0 - 6.5-7.8 H GLU 43 - HD2 LYS 39 far 0 94 0 - 6.6-7.5 H GLU 43 - HD3 LYS 39 far 0 89 0 - 6.6-7.2 H SER 97 - HD2 LYS 94 far 0 36 0 - 6.7-8.3 H PHE 96 - HD2 LYS 94 far 0 41 0 - 6.9-7.3 H GLU 43 - HD3 LYS 47 far 0 45 0 - 7.1-8.6 H GLU 43 - HD2 LYS 47 far 0 47 0 - 7.2-9.4 H ASP 36 - HD3 LYS 39 far 0 90 0 - 8.3-8.7 Violated in 0 structures by 0.00 A. Peak 3044 from cnoeabs.peaks (3.81, 1.65, 29.52 ppm; 4.24 A): 0 out of 11 assignments used, quality = 0.00: HA LYS 68 - HD3 LYS 68 far 0 100 0 - 4.6-5.5 HA ARG 19 - HD3 LYS 20 far 0 49 0 - 4.8-8.1 ! HA LYS 68 - HD2 LYS 68 far 0 100 0 - 4.8-5.5 HA ALA 18 - HD3 LYS 20 far 0 32 0 - 5.9-8.5 HA ALA 18 - HD2 LYS 20 far 0 28 0 - 5.9-8.3 HA ARG 19 - HD2 LYS 20 far 0 44 0 - 6.0-7.8 HA ALA 22 - HD2 LYS 94 far 0 46 0 - 7.9-9.9 HA ALA 22 - HD3 LYS 20 far 0 40 0 - 8.4-10.9 HA SER 97 - HD2 LYS 94 far 0 53 0 - 8.4-10.8 HA ALA 18 - HD2 LYS 94 far 0 36 0 - 8.5-11.3 HA ALA 22 - HD2 LYS 20 far 0 36 0 - 9.3-11.1 Violated in 7 structures by 0.03 A. Peak 3045 from cnoeabs.peaks (1.84, 1.65, 29.52 ppm; 3.11 A increased from 2.93 A): 5 out of 30 assignments used, quality = 0.99: HB3 LYS 39 + HD2 LYS 39 OK 79 79 100 99 2.1-3.3 3.6=65, 1.8/1686=46...(36) HB2 LYS 68 + HD3 LYS 68 OK 74 100 75 99 2.5-3.7 3.5=70, 2998/5.9=14...(79) * HB2 LYS 68 + HD2 LYS 68 OK 60 100 60 99 2.5-3.9 3.5=70, 3002/1.8=18...(79) HB3 LYS 68 + HD3 LYS 68 OK 53 71 75 99 2.3-3.7 3.5=70, 1.8/3004=18...(76) HB3 LYS 68 + HD2 LYS 68 OK 43 71 60 99 2.4-3.7 3.5=70, 7107/5.9=15...(75) HB3 LYS 39 - HD3 LYS 39 far 7 73 10 - 3.4-3.9 HG2 ARG 46 - HD2 LYS 47 far 0 45 0 - 3.9-9.4 HB3 LYS 90 - HD2 LYS 94 far 0 56 0 - 4.0-7.7 HB2 LYS 90 - HD2 LYS 94 far 0 41 0 - 4.8-8.9 HG2 ARG 46 - HD3 LYS 47 far 0 42 0 - 4.9-9.2 HB ILE 93 - HD2 LYS 94 far 0 31 0 - 5.6-7.2 HB2 LEU 42 - HD2 LYS 39 far 0 68 0 - 5.6-6.6 HB2 LEU 42 - HD3 LYS 39 far 0 62 0 - 5.9-6.4 HB3 LYS 90 - HD3 LYS 20 far 0 49 0 - 6.9-10.2 HB3 LYS 66 - HD2 LYS 68 far 0 88 0 - 7.6-9.3 HB2 LYS 12 - HD2 LYS 20 far 0 32 0 - 7.7-9.3 HB2 LYS 90 - HD3 LYS 20 far 0 36 0 - 7.8-11.0 HB3 LYS 90 - HD2 LYS 20 far 0 44 0 - 7.9-10.2 HB3 LYS 66 - HD3 LYS 68 far 0 88 0 - 8.0-9.4 HB2 LYS 12 - HD3 LYS 20 far 0 36 0 - 8.1-10.2 HB2 LYS 90 - HD2 LYS 20 far 0 32 0 - 8.6-11.0 HB ILE 93 - HD3 LYS 20 far 0 27 0 - 9.2-11.6 HB3 LYS 12 - HD2 LYS 20 far 0 30 0 - 9.2-10.8 HB3 LYS 66 - HD2 LYS 39 far 0 80 0 - 9.2-11.3 HB2 LEU 42 - HD3 LYS 47 far 0 29 0 - 9.2-11.0 HG2 ARG 46 - HD3 LYS 39 far 0 85 0 - 9.5-11.2 HB3 LYS 12 - HD3 LYS 20 far 0 34 0 - 9.7-11.8 HB2 LEU 42 - HD2 LYS 47 far 0 30 0 - 9.7-11.6 HB ILE 93 - HD2 LYS 20 far 0 24 0 - 9.7-11.9 HG2 ARG 46 - HD2 LYS 39 far 0 91 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 3046 from cnoeabs.peaks (1.87, 1.65, 29.52 ppm; 3.14 A increased from 2.95 A): 6 out of 28 assignments used, quality = 1.00: HB3 LYS 39 + HD2 LYS 39 OK 93 93 100 99 2.1-3.3 3.6=67, 1.8/1686=47...(37) HB3 LYS 68 + HD3 LYS 68 OK 75 100 75 99 2.3-3.7 3.5=72, 3014/3.0=19...(81) * HB3 LYS 68 + HD2 LYS 68 OK 60 100 60 99 2.4-3.7 3.5=72, 3014/3.0=19...(80) HB2 LYS 68 + HD3 LYS 68 OK 53 71 75 99 2.5-3.7 3.5=72, ~2993=14...(82) HB2 LYS 68 + HD2 LYS 68 OK 43 71 60 99 2.5-3.9 3.5=72, ~2993=14...(82) HB2 LYS 20 + HD3 LYS 20 OK 29 43 70 97 2.1-3.9 3.5=70, ~848=15, ~883=15...(46) HB3 LYS 39 - HD3 LYS 39 far 9 88 10 - 3.4-3.9 HB2 LYS 20 - HD2 LYS 20 far 6 38 15 - 2.4-4.0 HB2 ARG 19 - HD3 LYS 20 far 0 40 0 - 3.5-7.3 HB3 LYS 90 - HD2 LYS 94 far 0 29 0 - 4.0-7.7 HB2 ARG 19 - HD2 LYS 20 far 0 36 0 - 4.5-6.7 HB2 GLU 43 - HD3 LYS 47 far 0 25 0 - 4.6-7.3 HB2 GLU 43 - HD2 LYS 47 far 0 26 0 - 5.0-7.5 HB3 LYS 90 - HD3 LYS 20 far 0 25 0 - 6.9-10.2 HG LEU 42 - HD2 LYS 39 far 0 78 0 - 7.1-8.3 HB2 GLU 43 - HD3 LYS 39 far 0 55 0 - 7.3-8.6 HB2 GLU 43 - HD2 LYS 39 far 0 60 0 - 7.5-9.4 HB3 LYS 66 - HD2 LYS 68 far 0 99 0 - 7.6-9.3 HB2 LYS 12 - HD2 LYS 20 far 0 43 0 - 7.7-9.3 HG LEU 42 - HD3 LYS 39 far 0 71 0 - 7.8-8.3 HB3 LYS 90 - HD2 LYS 20 far 0 22 0 - 7.9-10.2 HB3 LYS 66 - HD3 LYS 68 far 0 99 0 - 8.0-9.4 HB2 LYS 12 - HD3 LYS 20 far 0 49 0 - 8.1-10.2 HB3 LYS 12 - HD2 LYS 20 far 0 44 0 - 9.2-10.8 HB3 LYS 66 - HD2 LYS 39 far 0 93 0 - 9.2-11.3 HB3 LEU 14 - HD2 LYS 20 far 0 27 0 - 9.4-10.8 HB3 LYS 12 - HD3 LYS 20 far 0 49 0 - 9.7-11.8 HB3 LEU 14 - HD3 LYS 20 far 0 31 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 3047 from cnoeabs.peaks (1.64, 1.65, 29.52 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: HD3 LYS 68 + HD3 LYS 68 OK 99 99 - 100 HD2 LYS 68 + HD2 LYS 68 OK 99 99 - 100 HD2 LYS 39 + HD2 LYS 39 OK 92 92 - 100 HD3 LYS 39 + HD3 LYS 39 OK 90 90 - 100 HD2 LYS 94 + HD2 LYS 94 OK 48 48 - 100 HD3 LYS 20 + HD3 LYS 20 OK 30 30 - 100 HD2 LYS 20 + HD2 LYS 20 OK 24 24 - 100 HD2 LYS 47 + HD2 LYS 47 OK 23 23 - 100 HD3 LYS 47 + HD3 LYS 47 OK 21 21 - 100 Reference assignment not found: HG2 LYS 68 - HD2 LYS 68 Peak 3048 from cnoeabs.peaks (1.35, 1.65, 29.52 ppm; 2.70 A): 6 out of 29 assignments used, quality = 1.00: HG2 LYS 39 + HD3 LYS 39 OK 89 90 100 100 2.3-2.7 3.0=76, 1.8/1719=45...(69) HG3 LYS 68 + HD3 LYS 68 OK 73 100 75 97 2.4-3.0 3.0=76, 3038/1.8=12...(62) * HG3 LYS 68 + HD2 LYS 68 OK 63 100 65 97 2.3-3.0 3.0=76, 3038/1.8=14...(62) HG2 LYS 39 + HD2 LYS 39 OK 52 95 55 99 2.4-3.0 3.0=76, 3.0/1686=25...(46) HG2 LYS 94 + HD2 LYS 94 OK 34 54 70 92 2.5-3.0 3.0=75, 2.9/4191=12...(30) HG3 LYS 94 + HD2 LYS 94 OK 26 34 85 91 2.3-3.0 3.0=75, 2.9/4191=12...(29) QB ALA 67 - HD3 LYS 68 far 0 98 0 - 4.7-6.3 QB ALA 25 - HD2 LYS 94 far 0 54 0 - 4.8-7.1 QB ALA 67 - HD2 LYS 68 far 0 98 0 - 4.8-6.4 HB2 LEU 70 - HD2 LYS 39 far 0 84 0 - 5.0-7.8 HB2 LEU 70 - HD3 LYS 39 far 0 78 0 - 6.3-7.7 HB2 LYS 82 - HD3 LYS 68 far 0 100 0 - 6.9-9.5 HB2 LYS 82 - HD2 LYS 68 far 0 100 0 - 7.1-9.9 QB ALA 89 - HD3 LYS 20 far 0 47 0 - 7.2-9.5 QB ALA 89 - HD2 LYS 20 far 0 42 0 - 7.2-9.3 QB ALA 89 - HD2 LYS 94 far 0 54 0 - 7.7-10.5 HG3 LYS 40 - HD2 LYS 39 far 0 93 0 - 7.9-9.8 QB ALA 67 - HD2 LYS 39 far 0 92 0 - 8.5-10.4 HG LEU 14 - HD2 LYS 20 far 0 44 0 - 8.6-10.5 HG3 LYS 40 - HD3 LYS 39 far 0 87 0 - 8.7-9.9 HB2 LEU 70 - HD3 LYS 68 far 0 92 0 - 8.8-9.4 HB2 LEU 70 - HD2 LYS 68 far 0 92 0 - 8.9-9.4 HG LEU 14 - HD3 LYS 20 far 0 50 0 - 8.9-11.4 HG3 LYS 40 - HD2 LYS 47 far 0 46 0 - 9.1-12.6 QB ALA 25 - HD3 LYS 20 far 0 47 0 - 9.2-11.3 HB3 LEU 2 - HD3 LYS 47 far 0 41 0 - 9.5-12.3 HG3 LYS 40 - HD3 LYS 47 far 0 44 0 - 9.6-11.7 QB ALA 67 - HD3 LYS 39 far 0 86 0 - 9.7-10.8 QB ALA 25 - HD2 LYS 20 far 0 42 0 - 9.9-11.3 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 + HD2 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3080/1.8=9...(69) HE2 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3080/1.8=9...(69) HE3 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.4-3.0 3.0=89, 4267/3.0=10...(63) HE3 LYS 68 + HD2 LYS 68 OK 99 100 100 99 2.3-3.0 3.0=89, 4267/3.0=10...(63) HE3 LYS 39 + HD2 LYS 39 OK 63 64 100 99 2.2-3.0 3.0=90, 1.8/1752=17...(30) HE3 LYS 39 + HD3 LYS 39 OK 58 58 100 99 2.6-3.0 3.0=90, 3.5/1719=26...(30) HE3 LYS 94 + HD2 LYS 94 OK 55 56 100 99 2.2-3.0 3.0=93, 4270/1.8=11...(36) HE2 LYS 94 + HD2 LYS 94 OK 53 54 100 99 2.4-3.0 3.0=93, 4206/3.5=11...(36) HE2 LYS 39 + HD2 LYS 39 OK 52 53 100 99 2.3-3.0 3.0=90, 1.8/1763=17...(29) HE2 LYS 20 + HD3 LYS 20 OK 48 50 100 96 2.3-3.0 3.0=89, 2970/1.8=9...(35) HE3 LYS 20 + HD3 LYS 20 OK 48 50 100 97 2.2-3.0 3.0=89, 2970/1.8=9...(34) HE2 LYS 39 + HD3 LYS 39 OK 47 48 100 99 2.3-3.0 3.0=90, 3.5/1719=26...(29) HE2 LYS 20 + HD2 LYS 20 OK 43 44 100 97 2.3-3.0 3.0=89, 2970/1.8=9...(36) HE3 LYS 20 + HD2 LYS 20 OK 42 44 100 96 2.3-3.0 3.0=89, 2970/1.8=9...(35) HE3 LYS 73 - HD3 LYS 39 far 0 53 0 - 3.6-11.5 HE3 LYS 73 - HD2 LYS 39 far 0 58 0 - 4.0-12.2 HE3 LYS 90 - HD3 LYS 20 far 0 36 0 - 4.4-8.4 HG2 MET 21 - HD2 LYS 94 far 0 36 0 - 4.4-6.7 HE3 LYS 90 - HD2 LYS 20 far 0 32 0 - 5.6-8.5 HE3 LYS 90 - HD2 LYS 94 far 0 41 0 - 5.8-11.6 HG2 MET 21 - HD3 LYS 20 far 0 32 0 - 6.0-9.1 HE3 LYS 66 - HD2 LYS 68 far 0 99 0 - 6.5-11.8 HE3 LYS 66 - HD3 LYS 68 far 0 99 0 - 6.8-11.8 HG2 MET 21 - HD2 LYS 20 far 0 28 0 - 6.9-9.4 HE2 LYS 66 - HD2 LYS 39 far 0 90 0 - 7.1-12.9 HE2 LYS 66 - HD3 LYS 68 far 0 96 0 - 7.5-11.5 HE2 LYS 66 - HD2 LYS 68 far 0 96 0 - 7.8-11.6 HE3 LYS 66 - HD2 LYS 39 far 0 93 0 - 7.9-13.4 HE2 LYS 66 - HD3 LYS 39 far 0 83 0 - 8.7-13.4 HE3 LYS 73 - HD3 LYS 68 far 0 65 0 - 9.3-14.2 HE3 LYS 66 - HD3 LYS 39 far 0 88 0 - 9.3-14.1 HE3 LYS 73 - HD2 LYS 68 far 0 65 0 - 9.5-14.4 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 + HD2 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3080/1.8=9...(69) HE2 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3080/1.8=9...(69) HE3 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.4-3.0 3.0=89, 4267/3.0=10...(63) * HE3 LYS 68 + HD2 LYS 68 OK 99 100 100 99 2.3-3.0 3.0=89, 4267/3.0=10...(63) HE3 LYS 39 + HD2 LYS 39 OK 67 68 100 99 2.2-3.0 3.0=90, 1.8/1752=17...(30) HE3 LYS 39 + HD3 LYS 39 OK 61 62 100 99 2.6-3.0 3.0=90, 3.5/1719=26...(30) HE2 LYS 39 + HD2 LYS 39 OK 56 56 100 99 2.3-3.0 3.0=90, 1.8/1763=17...(29) HE3 LYS 94 + HD2 LYS 94 OK 55 56 100 99 2.2-3.0 3.0=93, 4270/1.8=11...(36) HE2 LYS 94 + HD2 LYS 94 OK 52 52 100 99 2.4-3.0 3.0=93, 4206/3.5=11...(36) HE2 LYS 39 + HD3 LYS 39 OK 51 51 100 99 2.3-3.0 3.0=90, 3.5/1719=26...(29) HE2 LYS 20 + HD3 LYS 20 OK 48 49 100 96 2.3-3.0 3.0=89, 2970/1.8=9...(35) HE3 LYS 20 + HD3 LYS 20 OK 47 49 100 97 2.2-3.0 3.0=89, 2970/1.8=9...(34) HE2 LYS 20 + HD2 LYS 20 OK 42 44 100 97 2.3-3.0 3.0=89, 2970/1.8=9...(36) HE3 LYS 20 + HD2 LYS 20 OK 42 44 100 96 2.3-3.0 3.0=89, 2970/1.8=9...(35) HE3 LYS 73 - HD3 LYS 39 far 0 50 0 - 3.6-11.5 HE3 LYS 73 - HD2 LYS 39 far 0 55 0 - 4.0-12.2 HE3 LYS 90 - HD3 LYS 20 far 0 34 0 - 4.4-8.4 HG2 MET 21 - HD2 LYS 94 far 0 34 0 - 4.4-6.7 HE3 LYS 90 - HD2 LYS 20 far 0 30 0 - 5.6-8.5 HE3 LYS 90 - HD2 LYS 94 far 0 39 0 - 5.8-11.6 HG2 MET 21 - HD3 LYS 20 far 0 30 0 - 6.0-9.1 HE3 LYS 66 - HD2 LYS 68 far 0 100 0 - 6.5-11.8 HE3 LYS 66 - HD3 LYS 68 far 0 100 0 - 6.8-11.8 HG2 MET 21 - HD2 LYS 20 far 0 26 0 - 6.9-9.4 HE2 LYS 66 - HD2 LYS 39 far 0 91 0 - 7.1-12.9 HE2 LYS 66 - HD3 LYS 68 far 0 98 0 - 7.5-11.5 HE2 LYS 66 - HD2 LYS 68 far 0 98 0 - 7.8-11.6 HE3 LYS 66 - HD2 LYS 39 far 0 94 0 - 7.9-13.4 HE2 LYS 66 - HD3 LYS 39 far 0 85 0 - 8.7-13.4 HE3 LYS 73 - HD3 LYS 68 far 0 61 0 - 9.3-14.2 HE3 LYS 66 - HD3 LYS 39 far 0 89 0 - 9.3-14.1 HE3 LYS 73 - HD2 LYS 68 far 0 61 0 - 9.5-14.4 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 9 assignments used, quality = 1.00: * H GLU 69 + HD2 LYS 68 OK 100 100 100 100 4.4-4.9 7126/3.0=84, 7127/3.0=84...(18) H GLU 69 + HD3 LYS 68 OK 100 100 100 100 4.4-5.1 7126/3.0=84, 7127/3.0=84...(18) H ASP 65 + HD2 LYS 68 OK 56 94 60 100 4.3-6.9 4.9/10264=60, ~9502=41...(25) H ASP 65 + HD3 LYS 68 OK 33 94 35 100 4.8-6.9 ~9502=41, ~10267=38...(24) H GLN 72 - HD2 LYS 68 far 0 100 0 - 6.7-8.1 H GLN 72 - HD3 LYS 68 far 0 100 0 - 6.8-7.9 H GLN 72 - HD2 LYS 39 far 0 95 0 - 7.9-11.2 H GLN 72 - HD3 LYS 39 far 0 89 0 - 8.8-10.6 H GLU 69 - HD2 LYS 39 far 0 96 0 - 9.1-12.2 Violated in 0 structures by 0.00 A. Peak 3054 from cnoeabs.peaks (8.19, 1.65, 29.52 ppm; 4.91 A increased from 4.13 A): 2 out of 9 assignments used, quality = 1.00: * H LYS 68 + HD3 LYS 68 OK 100 100 100 100 3.6-4.9 7109/3.0=93, 7107/3.5=90...(23) H LYS 68 + HD2 LYS 68 OK 100 100 100 100 3.6-4.9 7109/3.0=93, 7107/3.5=90...(23) H ASP 36 - HD2 LYS 39 far 0 95 0 - 6.5-7.8 H GLU 43 - HD2 LYS 39 far 0 94 0 - 6.6-7.5 H GLU 43 - HD3 LYS 39 far 0 90 0 - 6.6-7.2 H SER 97 - HD2 LYS 94 far 0 38 0 - 6.7-8.3 H PHE 96 - HD2 LYS 94 far 0 43 0 - 6.9-7.3 H GLU 43 - HD2 LYS 47 far 0 45 0 - 7.2-9.4 H ASP 36 - HD3 LYS 39 far 0 91 0 - 8.3-8.7 Violated in 0 structures by 0.00 A. Peak 3055 from cnoeabs.peaks (3.81, 1.65, 29.52 ppm; 4.24 A): 0 out of 11 assignments used, quality = 0.00: ! HA LYS 68 - HD3 LYS 68 far 0 100 0 - 4.6-5.5 HA ARG 19 - HD3 LYS 20 far 0 48 0 - 4.8-8.1 HA LYS 68 - HD2 LYS 68 far 0 100 0 - 4.8-5.5 HA ALA 18 - HD3 LYS 20 far 0 31 0 - 5.9-8.5 HA ALA 18 - HD2 LYS 20 far 0 27 0 - 5.9-8.3 HA ARG 19 - HD2 LYS 20 far 0 42 0 - 6.0-7.8 HA ALA 22 - HD2 LYS 94 far 0 48 0 - 7.9-9.9 HA ALA 22 - HD3 LYS 20 far 0 39 0 - 8.4-10.9 HA SER 97 - HD2 LYS 94 far 0 55 0 - 8.4-10.8 HA ALA 18 - HD2 LYS 94 far 0 38 0 - 8.5-11.3 HA ALA 22 - HD2 LYS 20 far 0 34 0 - 9.3-11.1 Violated in 7 structures by 0.03 A. Peak 3056 from cnoeabs.peaks (1.84, 1.65, 29.52 ppm; 3.11 A increased from 2.93 A): 5 out of 28 assignments used, quality = 0.99: HB3 LYS 39 + HD2 LYS 39 OK 78 79 100 99 2.1-3.3 3.6=65, 1.8/1686=46...(36) * HB2 LYS 68 + HD3 LYS 68 OK 74 100 75 99 2.5-3.7 3.5=70, 2998/5.9=14...(79) HB2 LYS 68 + HD2 LYS 68 OK 60 100 60 99 2.5-3.9 3.5=70, 3002/1.8=18...(79) HB3 LYS 68 + HD3 LYS 68 OK 53 71 75 99 2.3-3.7 3.5=70, 1.8/3004=18...(76) HB3 LYS 68 + HD2 LYS 68 OK 43 71 60 99 2.4-3.7 3.5=70, 7107/5.9=15...(75) HB3 LYS 39 - HD3 LYS 39 far 7 74 10 - 3.4-3.9 HG2 ARG 46 - HD2 LYS 47 far 0 42 0 - 3.9-9.4 HB3 LYS 90 - HD2 LYS 94 far 0 58 0 - 4.0-7.7 HB2 LYS 90 - HD2 LYS 94 far 0 43 0 - 4.8-8.9 HB ILE 93 - HD2 LYS 94 far 0 33 0 - 5.6-7.2 HB2 LEU 42 - HD2 LYS 39 far 0 67 0 - 5.6-6.6 HB2 LEU 42 - HD3 LYS 39 far 0 63 0 - 5.9-6.4 HB3 LYS 90 - HD3 LYS 20 far 0 48 0 - 6.9-10.2 HB3 LYS 66 - HD2 LYS 68 far 0 88 0 - 7.6-9.3 HB2 LYS 12 - HD2 LYS 20 far 0 30 0 - 7.7-9.3 HB2 LYS 90 - HD3 LYS 20 far 0 34 0 - 7.8-11.0 HB3 LYS 90 - HD2 LYS 20 far 0 42 0 - 7.9-10.2 HB3 LYS 66 - HD3 LYS 68 far 0 88 0 - 8.0-9.4 HB2 LYS 12 - HD3 LYS 20 far 0 34 0 - 8.1-10.2 HB2 LYS 90 - HD2 LYS 20 far 0 30 0 - 8.6-11.0 HB ILE 93 - HD3 LYS 20 far 0 26 0 - 9.2-11.6 HB3 LYS 12 - HD2 LYS 20 far 0 29 0 - 9.2-10.8 HB3 LYS 66 - HD2 LYS 39 far 0 80 0 - 9.2-11.3 HG2 ARG 46 - HD3 LYS 39 far 0 86 0 - 9.5-11.2 HB3 LYS 12 - HD3 LYS 20 far 0 33 0 - 9.7-11.8 HB2 LEU 42 - HD2 LYS 47 far 0 29 0 - 9.7-11.6 HB ILE 93 - HD2 LYS 20 far 0 23 0 - 9.7-11.9 HG2 ARG 46 - HD2 LYS 39 far 0 91 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 3057 from cnoeabs.peaks (1.87, 1.65, 29.52 ppm; 3.14 A increased from 2.95 A): 6 out of 27 assignments used, quality = 1.00: HB3 LYS 39 + HD2 LYS 39 OK 93 93 100 100 2.1-3.3 3.6=67, 1.8/1686=47...(37) * HB3 LYS 68 + HD3 LYS 68 OK 75 100 75 99 2.3-3.7 3.5=72, 3014/3.0=19...(81) HB3 LYS 68 + HD2 LYS 68 OK 60 100 60 99 2.4-3.7 3.5=72, 3014/3.0=19...(80) HB2 LYS 68 + HD3 LYS 68 OK 53 71 75 99 2.5-3.7 3.5=72, ~2993=14...(82) HB2 LYS 68 + HD2 LYS 68 OK 43 71 60 99 2.5-3.9 3.5=72, ~2993=14...(82) HB2 LYS 20 + HD3 LYS 20 OK 28 41 70 97 2.1-3.9 3.5=70, ~848=15, ~883=15...(46) HB3 LYS 39 - HD3 LYS 39 far 9 89 10 - 3.4-3.9 HB2 LYS 20 - HD2 LYS 20 far 5 36 15 - 2.4-4.0 HB2 ARG 19 - HD3 LYS 20 far 0 39 0 - 3.5-7.3 HB3 LYS 90 - HD2 LYS 94 far 0 30 0 - 4.0-7.7 HB2 ARG 19 - HD2 LYS 20 far 0 34 0 - 4.5-6.7 HB2 GLU 43 - HD2 LYS 47 far 0 25 0 - 5.0-7.5 HB3 LYS 90 - HD3 LYS 20 far 0 24 0 - 6.9-10.2 HG LEU 42 - HD2 LYS 39 far 0 77 0 - 7.1-8.3 HB2 GLU 43 - HD3 LYS 39 far 0 56 0 - 7.3-8.6 HB2 GLU 43 - HD2 LYS 39 far 0 60 0 - 7.5-9.4 HB3 LYS 66 - HD2 LYS 68 far 0 99 0 - 7.6-9.3 HB2 LYS 12 - HD2 LYS 20 far 0 41 0 - 7.7-9.3 HG LEU 42 - HD3 LYS 39 far 0 72 0 - 7.8-8.3 HB3 LYS 90 - HD2 LYS 20 far 0 21 0 - 7.9-10.2 HB3 LYS 66 - HD3 LYS 68 far 0 99 0 - 8.0-9.4 HB2 LYS 12 - HD3 LYS 20 far 0 47 0 - 8.1-10.2 HB3 LYS 12 - HD2 LYS 20 far 0 42 0 - 9.2-10.8 HB3 LYS 66 - HD2 LYS 39 far 0 93 0 - 9.2-11.3 HB3 LEU 14 - HD2 LYS 20 far 0 26 0 - 9.4-10.8 HB3 LYS 12 - HD3 LYS 20 far 0 47 0 - 9.7-11.8 HB3 LEU 14 - HD3 LYS 20 far 0 30 0 - 9.8-12.0 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 27 assignments used, quality = 1.00: HG2 LYS 39 + HD3 LYS 39 OK 90 91 100 100 2.3-2.7 3.0=76, 1.8/1720=45...(69) * HG3 LYS 68 + HD3 LYS 68 OK 73 100 75 97 2.4-3.0 3.0=76, 3038/1.8=12...(62) HG3 LYS 68 + HD2 LYS 68 OK 63 100 65 97 2.3-3.0 3.0=76, 3038/1.8=14...(62) HG2 LYS 39 + HD2 LYS 39 OK 52 95 55 99 2.4-3.0 3.0=76, 3.0/1686=25...(46) HG2 LYS 94 + HD2 LYS 94 OK 36 56 70 92 2.5-3.0 3.0=75, 2.9/4191=12...(30) HG3 LYS 94 + HD2 LYS 94 OK 28 36 85 91 2.3-3.0 3.0=75, 2.9/4191=12...(29) QB ALA 67 - HD3 LYS 68 far 0 98 0 - 4.7-6.3 QB ALA 25 - HD2 LYS 94 far 0 56 0 - 4.8-7.1 QB ALA 67 - HD2 LYS 68 far 0 98 0 - 4.8-6.4 HB2 LEU 70 - HD2 LYS 39 far 0 84 0 - 5.0-7.8 HB2 LEU 70 - HD3 LYS 39 far 0 79 0 - 6.3-7.7 HB2 LYS 82 - HD3 LYS 68 far 0 100 0 - 6.9-9.5 HB2 LYS 82 - HD2 LYS 68 far 0 100 0 - 7.1-9.9 QB ALA 89 - HD3 LYS 20 far 0 46 0 - 7.2-9.5 QB ALA 89 - HD2 LYS 20 far 0 40 0 - 7.2-9.3 QB ALA 89 - HD2 LYS 94 far 0 56 0 - 7.7-10.5 HG3 LYS 40 - HD2 LYS 39 far 0 93 0 - 7.9-9.8 QB ALA 67 - HD2 LYS 39 far 0 92 0 - 8.5-10.4 HG LEU 14 - HD2 LYS 20 far 0 42 0 - 8.6-10.5 HG3 LYS 40 - HD3 LYS 39 far 0 88 0 - 8.7-9.9 HB2 LEU 70 - HD3 LYS 68 far 0 92 0 - 8.8-9.4 HB2 LEU 70 - HD2 LYS 68 far 0 92 0 - 8.9-9.4 HG LEU 14 - HD3 LYS 20 far 0 48 0 - 8.9-11.4 HG3 LYS 40 - HD2 LYS 47 far 0 44 0 - 9.1-12.6 QB ALA 25 - HD3 LYS 20 far 0 46 0 - 9.2-11.3 QB ALA 67 - HD3 LYS 39 far 0 87 0 - 9.7-10.8 QB ALA 25 - HD2 LYS 20 far 0 40 0 - 9.9-11.3 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 + HD2 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3080/1.8=9...(69) * HE2 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3080/1.8=9...(69) HE3 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.4-3.0 3.0=89, 4267/3.0=10...(63) HE3 LYS 68 + HD2 LYS 68 OK 99 100 100 99 2.3-3.0 3.0=89, 4267/3.0=10...(63) HE3 LYS 39 + HD2 LYS 39 OK 63 64 100 99 2.2-3.0 3.0=90, 1.8/1752=17...(30) HE3 LYS 39 + HD3 LYS 39 OK 59 59 100 99 2.6-3.0 3.0=90, 3.5/1720=26...(30) HE3 LYS 94 + HD2 LYS 94 OK 58 59 100 99 2.2-3.0 3.0=93, 4270/1.8=11...(36) HE2 LYS 94 + HD2 LYS 94 OK 55 56 100 99 2.4-3.0 3.0=93, 4206/3.5=11...(36) HE2 LYS 39 + HD2 LYS 39 OK 52 52 100 99 2.3-3.0 3.0=90, 1.8/1763=17...(29) HE2 LYS 39 + HD3 LYS 39 OK 48 49 100 99 2.3-3.0 3.0=90, 3.5/1720=26...(29) HE2 LYS 20 + HD3 LYS 20 OK 46 48 100 96 2.3-3.0 3.0=89, 2970/1.8=9...(35) HE3 LYS 20 + HD3 LYS 20 OK 46 48 100 97 2.2-3.0 3.0=89, 2970/1.8=9...(34) HE2 LYS 20 + HD2 LYS 20 OK 41 42 100 97 2.3-3.0 3.0=89, 2970/1.8=9...(36) HE3 LYS 20 + HD2 LYS 20 OK 41 42 100 96 2.3-3.0 3.0=89, 2970/1.8=9...(35) HE3 LYS 73 - HD3 LYS 39 far 0 54 0 - 3.6-11.5 HE3 LYS 73 - HD2 LYS 39 far 0 58 0 - 4.0-12.2 HE3 LYS 90 - HD3 LYS 20 far 0 34 0 - 4.4-8.4 HG2 MET 21 - HD2 LYS 94 far 0 38 0 - 4.4-6.7 HE3 LYS 90 - HD2 LYS 20 far 0 30 0 - 5.6-8.5 HE3 LYS 90 - HD2 LYS 94 far 0 43 0 - 5.8-11.6 HG2 MET 21 - HD3 LYS 20 far 0 31 0 - 6.0-9.1 HE3 LYS 66 - HD2 LYS 68 far 0 99 0 - 6.5-11.8 HE3 LYS 66 - HD3 LYS 68 far 0 99 0 - 6.8-11.8 HG2 MET 21 - HD2 LYS 20 far 0 27 0 - 6.9-9.4 HE2 LYS 66 - HD2 LYS 39 far 0 89 0 - 7.1-12.9 HE2 LYS 66 - HD3 LYS 68 far 0 96 0 - 7.5-11.5 HE2 LYS 66 - HD2 LYS 68 far 0 96 0 - 7.8-11.6 HE3 LYS 66 - HD2 LYS 39 far 0 93 0 - 7.9-13.4 HE2 LYS 66 - HD3 LYS 39 far 0 84 0 - 8.7-13.4 HE3 LYS 73 - HD3 LYS 68 far 0 65 0 - 9.3-14.2 HE3 LYS 66 - HD3 LYS 39 far 0 89 0 - 9.3-14.1 HE3 LYS 73 - HD2 LYS 68 far 0 65 0 - 9.5-14.4 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 + HD2 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3080/1.8=9...(69) HE2 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3080/1.8=9...(69) * HE3 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.4-3.0 3.0=89, 4267/3.0=10...(63) HE3 LYS 68 + HD2 LYS 68 OK 99 100 100 99 2.3-3.0 3.0=89, 4267/3.0=10...(63) HE3 LYS 39 + HD2 LYS 39 OK 66 67 100 99 2.2-3.0 3.0=90, 1.8/1752=17...(30) HE3 LYS 39 + HD3 LYS 39 OK 62 63 100 99 2.6-3.0 3.0=90, 3.5/1720=26...(30) HE3 LYS 94 + HD2 LYS 94 OK 58 58 100 99 2.2-3.0 3.0=93, 4270/1.8=11...(36) HE2 LYS 39 + HD2 LYS 39 OK 55 56 100 99 2.3-3.0 3.0=90, 1.8/1763=17...(29) HE2 LYS 94 + HD2 LYS 94 OK 54 55 100 99 2.4-3.0 3.0=93, 4206/3.5=11...(36) HE2 LYS 39 + HD3 LYS 39 OK 52 52 100 99 2.3-3.0 3.0=90, 3.5/1720=26...(29) HE2 LYS 20 + HD3 LYS 20 OK 46 48 100 96 2.3-3.0 3.0=89, 2970/1.8=9...(35) HE3 LYS 20 + HD3 LYS 20 OK 46 47 100 97 2.2-3.0 3.0=89, 2970/1.8=9...(34) HE2 LYS 20 + HD2 LYS 20 OK 41 42 100 97 2.3-3.0 3.0=89, 2970/1.8=9...(36) HE3 LYS 20 + HD2 LYS 20 OK 40 42 100 96 2.3-3.0 3.0=89, 2970/1.8=9...(35) HE3 LYS 73 - HD3 LYS 39 far 0 50 0 - 3.6-11.5 HE3 LYS 73 - HD2 LYS 39 far 0 54 0 - 4.0-12.2 HE3 LYS 90 - HD3 LYS 20 far 0 33 0 - 4.4-8.4 HG2 MET 21 - HD2 LYS 94 far 0 36 0 - 4.4-6.7 HE3 LYS 90 - HD2 LYS 20 far 0 29 0 - 5.6-8.5 HE3 LYS 90 - HD2 LYS 94 far 0 40 0 - 5.8-11.6 HG2 MET 21 - HD3 LYS 20 far 0 29 0 - 6.0-9.1 HE3 LYS 66 - HD2 LYS 68 far 0 100 0 - 6.5-11.8 HE3 LYS 66 - HD3 LYS 68 far 0 100 0 - 6.8-11.8 HG2 MET 21 - HD2 LYS 20 far 0 25 0 - 6.9-9.4 HE2 LYS 66 - HD2 LYS 39 far 0 91 0 - 7.1-12.9 HE2 LYS 66 - HD3 LYS 68 far 0 98 0 - 7.5-11.5 HE2 LYS 66 - HD2 LYS 68 far 0 98 0 - 7.8-11.6 HE3 LYS 66 - HD2 LYS 39 far 0 94 0 - 7.9-13.4 HE2 LYS 66 - HD3 LYS 39 far 0 86 0 - 8.7-13.4 HE3 LYS 73 - HD3 LYS 68 far 0 61 0 - 9.3-14.2 HE3 LYS 66 - HD3 LYS 39 far 0 90 0 - 9.3-14.1 HE3 LYS 73 - HD2 LYS 68 far 0 61 0 - 9.5-14.4 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 9 assignments used, quality = 1.00: * H GLU 69 + HD3 LYS 68 OK 100 100 100 100 4.4-5.1 7126/3.0=84, 7127/3.0=84...(18) H GLU 69 + HD2 LYS 68 OK 100 100 100 100 4.4-4.9 7126/3.0=84, 7127/3.0=84...(18) H ASP 65 + HD2 LYS 68 OK 56 94 60 100 4.3-6.9 4.9/10264=60, ~9502=41...(25) H ASP 65 + HD3 LYS 68 OK 33 94 35 100 4.8-6.9 ~9502=41, ~10267=38...(24) H GLN 72 - HD2 LYS 68 far 0 100 0 - 6.7-8.1 H GLN 72 - HD3 LYS 68 far 0 100 0 - 6.8-7.9 H GLN 72 - HD2 LYS 39 far 0 94 0 - 7.9-11.2 H GLN 72 - HD3 LYS 39 far 0 90 0 - 8.8-10.6 H GLU 69 - HD2 LYS 39 far 0 95 0 - 9.1-12.2 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 10 assignments used, quality = 1.00: * H LYS 68 + HE2 LYS 68 OK 100 100 100 100 4.4-5.9 7111/3.6=97, 3032/3.6=87...(20) H LYS 68 + HE3 LYS 68 OK 100 100 100 100 3.3-6.0 7112/3.6=97, 3032/3.6=87...(22) H LYS 68 - HE3 LYS 66 far 5 98 5 - 6.0-9.2 H SER 97 - HE2 LYS 94 far 4 72 5 - 6.1-9.2 H PHE 96 - HE3 LYS 94 far 0 84 0 - 6.5-8.4 H SER 97 - HE3 LYS 94 far 0 77 0 - 6.5-9.0 H PHE 96 - HE2 LYS 94 far 0 78 0 - 6.5-8.8 H LYS 68 - HE2 LYS 66 far 0 92 0 - 6.9-9.0 H ASP 36 - HE2 LYS 66 far 0 92 0 - 8.2-12.4 H ASP 36 - HE3 LYS 66 far 0 98 0 - 8.6-12.2 Violated in 0 structures by 0.00 A. Peak 3067 from cnoeabs.peaks (1.84, 2.91, 41.80 ppm; 4.33 A increased from 3.46 A): 8 out of 37 assignments used, quality = 1.00: HB2 LYS 68 + HE3 LYS 68 OK 100 100 100 100 2.3-4.6 5.0=65, 2.9/4267=22...(63) HB3 LYS 68 + HE3 LYS 68 OK 71 71 100 100 2.0-4.5 5.0=65, 7107/7113=24...(60) HB3 LYS 90 + HE3 LYS 90 OK 68 68 100 100 2.6-4.6 4.8=71, ~3981=51...(25) HB3 LYS 68 + HE2 LYS 68 OK 61 71 85 100 2.3-4.9 5.0=65, 7107/7113=22...(60) * HB2 LYS 68 + HE2 LYS 68 OK 60 100 60 100 2.0-4.9 5.0=65, 2998/7.2=21...(63) HB2 LYS 90 + HE3 LYS 90 OK 50 50 100 100 2.9-4.5 4.8=71, 3981/3.0=53...(24) HB3 LYS 66 + HE3 LYS 66 OK 46 84 55 100 3.6-5.5 4.7=77, ~2943=50...(32) HB3 LYS 66 + HE2 LYS 66 OK 30 76 40 100 3.6-5.5 4.7=77, ~2943=50...(32) HB2 LYS 90 - HE2 LYS 94 far 0 78 0 - 5.8-10.1 HB3 LYS 90 - HE2 LYS 94 far 0 97 0 - 6.0-9.1 HB3 LYS 90 - HE3 LYS 94 far 0 100 0 - 6.1-9.0 HB3 LYS 90 - HE2 LYS 20 far 0 100 0 - 6.2-11.7 HB2 LYS 90 - HE3 LYS 94 far 0 84 0 - 6.2-10.0 HB2 LYS 12 - HE2 LYS 20 far 0 84 0 - 6.8-11.1 HB2 LYS 90 - HE2 LYS 20 far 0 84 0 - 6.8-12.5 HB ILE 93 - HE3 LYS 94 far 0 67 0 - 6.9-8.8 HB ILE 93 - HE2 LYS 94 far 0 63 0 - 7.0-9.1 HB3 LYS 39 - HE2 LYS 66 far 0 75 0 - 7.0-13.5 HB3 LYS 39 - HE3 LYS 66 far 0 83 0 - 7.3-12.6 HB ILE 93 - HE3 LYS 90 far 0 39 0 - 7.3-8.6 HB3 LYS 90 - HE3 LYS 20 far 0 100 0 - 7.3-11.2 HB3 LYS 66 - HE3 LYS 68 far 0 88 0 - 7.6-10.3 HB3 LYS 66 - HE2 LYS 68 far 0 88 0 - 7.9-10.0 HB3 LYS 68 - HE3 LYS 66 far 0 67 0 - 7.9-11.4 HB2 LYS 12 - HE3 LYS 20 far 0 83 0 - 7.9-12.2 HB2 LYS 90 - HE3 LYS 20 far 0 83 0 - 8.1-12.1 HB2 LYS 68 - HE3 LYS 66 far 0 98 0 - 8.2-11.9 HB3 LYS 12 - HE2 LYS 20 far 0 80 0 - 8.6-12.7 HB2 GLU 88 - HE3 LYS 90 far 0 47 0 - 8.9-9.5 HB ILE 93 - HE2 LYS 20 far 0 67 0 - 9.0-12.4 HB3 LYS 68 - HE2 LYS 66 far 0 60 0 - 9.1-11.1 HB2 GLU 104 - HE2 LYS 68 far 0 79 0 - 9.2-29.4 HB2 LYS 68 - HE2 LYS 66 far 0 92 0 - 9.3-11.5 HB ILE 93 - HE3 LYS 20 far 0 67 0 - 9.3-12.5 HB3 LYS 12 - HE3 LYS 20 far 0 80 0 - 9.5-13.7 HB2 GLU 88 - HE3 LYS 94 far 0 79 0 - 9.6-14.9 HB3 GLU 104 - HE2 LYS 68 far 0 73 0 - 9.7-30.5 Violated in 0 structures by 0.00 A. Peak 3068 from cnoeabs.peaks (1.87, 2.91, 41.80 ppm; 4.34 A increased from 3.48 A): 9 out of 31 assignments used, quality = 1.00: HB3 LYS 68 + HE3 LYS 68 OK 100 100 100 100 2.0-4.5 5.0=66, 3014/3.6=27...(60) HB2 LYS 20 + HE2 LYS 20 OK 89 94 95 100 2.3-5.5 4.7=78, 4.0/6313=20...(67) * HB3 LYS 68 + HE2 LYS 68 OK 85 100 85 100 2.3-4.9 5.0=66, 3014/3.6=27...(60) HB2 LYS 20 + HE3 LYS 20 OK 75 94 80 100 2.0-4.7 4.7=78, 868/1.8=20...(69) HB2 LYS 68 + HE3 LYS 68 OK 71 71 100 100 2.3-4.6 5.0=66, 2.9/4267=22...(63) HB3 LYS 66 + HE3 LYS 66 OK 53 96 55 100 3.6-5.5 4.7=78, ~2943=51...(33) HB2 LYS 68 + HE2 LYS 68 OK 43 71 60 100 2.0-4.9 5.0=66, 4.0/7113=18...(63) HB3 LYS 90 + HE3 LYS 90 OK 36 36 100 100 2.6-4.6 4.8=72, ~3981=52...(25) HB3 LYS 66 + HE2 LYS 66 OK 36 89 40 100 3.6-5.5 4.7=78, ~2943=51...(33) HB2 ARG 19 - HE2 LYS 20 far 0 91 0 - 5.3-8.3 HB2 ARG 19 - HE3 LYS 20 far 0 90 0 - 5.7-8.5 HB3 LYS 90 - HE2 LYS 94 far 0 59 0 - 6.0-9.1 HB3 LYS 90 - HE3 LYS 94 far 0 63 0 - 6.1-9.0 HB3 LYS 90 - HE2 LYS 20 far 0 63 0 - 6.2-11.7 HB2 LYS 20 - HE3 LYS 90 far 0 59 0 - 6.5-7.8 HB2 LYS 12 - HE2 LYS 20 far 0 100 0 - 6.8-11.1 HB3 LYS 39 - HE2 LYS 66 far 0 90 0 - 7.0-13.5 HB3 LYS 39 - HE3 LYS 66 far 0 96 0 - 7.3-12.6 HB3 LYS 90 - HE3 LYS 20 far 0 63 0 - 7.3-11.2 HB3 LYS 66 - HE3 LYS 68 far 0 99 0 - 7.6-10.3 HB3 LYS 66 - HE2 LYS 68 far 0 99 0 - 7.9-10.0 HB3 LYS 68 - HE3 LYS 66 far 0 98 0 - 7.9-11.4 HB2 LYS 12 - HE3 LYS 20 far 0 99 0 - 7.9-12.2 HB2 LYS 68 - HE3 LYS 66 far 0 67 0 - 8.2-11.9 HB3 LYS 12 - HE2 LYS 20 far 0 100 0 - 8.6-12.7 HB3 LEU 14 - HE2 LYS 20 far 0 75 0 - 9.1-12.8 HB3 LYS 68 - HE2 LYS 66 far 0 92 0 - 9.1-11.1 HB2 LYS 68 - HE2 LYS 66 far 0 60 0 - 9.3-11.5 HB3 LEU 14 - HE3 LYS 90 far 0 44 0 - 9.3-11.1 HB3 LYS 12 - HE3 LYS 20 far 0 100 0 - 9.5-13.7 HB3 GLU 104 - HE2 LYS 68 far 0 100 0 - 9.7-30.5 Violated in 0 structures by 0.00 A. Peak 3069 from cnoeabs.peaks (1.64, 2.91, 41.80 ppm; 2.69 A): 12 out of 36 assignments used, quality = 1.00: HD2 LYS 68 + HE2 LYS 68 OK 91 99 100 93 2.2-3.0 3.0=73, 1.8/3062=6...(50) HD3 LYS 68 + HE2 LYS 68 OK 87 99 95 92 2.2-3.0 3.0=73, 3036/3.6=7...(49) HD3 LYS 68 + HE3 LYS 68 OK 87 99 95 92 2.4-3.0 3.0=73, 3.0/4267=8...(47) HD2 LYS 68 + HE3 LYS 68 OK 87 99 95 92 2.3-3.0 3.0=73, 3.0/4267=8...(47) HG2 LYS 68 + HE3 LYS 68 OK 63 100 70 90 2.3-4.2 3.6=42, 1.8/4267=11...(56) HD2 LYS 94 + HE2 LYS 94 OK 57 89 70 91 2.4-3.0 3.0=76, 3.5/4206=10...(26) HD2 LYS 94 + HE3 LYS 94 OK 56 94 65 91 2.2-3.0 3.0=76, 3.5/4206=8...(26) HD3 LYS 20 + HE3 LYS 20 OK 54 73 90 83 2.2-3.0 3.0=73, 1729/3.6=7...(22) HD2 LYS 20 + HE2 LYS 20 OK 50 67 90 83 2.3-3.0 3.0=73, 3.5/868=6...(22) HD2 LYS 20 + HE3 LYS 20 OK 33 67 60 83 2.3-3.0 3.0=73, 1729/3.6=5...(22) HD3 LYS 20 + HE2 LYS 20 OK 30 73 50 83 2.3-3.0 3.0=73, 1729/3.6=7...(22) HG3 LYS 20 + HE2 LYS 20 OK 21 73 35 81 2.4-4.2 3.6=43, 3.0/868=6...(46) ! HG2 LYS 68 - HE2 LYS 68 poor 18 100 20 90 2.8-4.2 3.6=42, 1.8/4267=8...(58) HG3 LYS 20 - HE3 LYS 20 poor 15 73 20 - 2.5-4.2 HD3 LYS 20 - HE3 LYS 90 far 0 43 0 - 4.4-8.4 HG3 LYS 20 - HE3 LYS 90 far 0 43 0 - 4.9-8.9 HD2 LYS 20 - HE3 LYS 90 far 0 39 0 - 5.6-8.5 HG2 LYS 68 - HE3 LYS 66 far 0 98 0 - 5.6-9.4 HD2 LYS 94 - HE3 LYS 90 far 0 59 0 - 5.8-11.6 HD2 LYS 68 - HE3 LYS 66 far 0 96 0 - 6.5-11.8 HG2 LYS 68 - HE2 LYS 66 far 0 92 0 - 6.7-9.1 HB3 ARG 79 - HE2 LYS 68 far 0 98 0 - 6.8-12.3 HD3 LYS 68 - HE3 LYS 66 far 0 96 0 - 6.8-11.8 HD2 LYS 73 - HE3 LYS 66 far 0 81 0 - 6.9-12.4 HD2 LYS 39 - HE2 LYS 66 far 0 88 0 - 7.1-12.9 HD2 LYS 73 - HE2 LYS 66 far 0 73 0 - 7.1-12.5 HD3 LYS 73 - HE3 LYS 66 far 0 84 0 - 7.2-13.1 HD3 LYS 73 - HE2 LYS 66 far 0 76 0 - 7.4-13.0 HD3 LYS 68 - HE2 LYS 66 far 0 90 0 - 7.5-11.5 HB3 ARG 79 - HE3 LYS 68 far 0 98 0 - 7.8-12.8 HD2 LYS 68 - HE2 LYS 66 far 0 89 0 - 7.8-11.6 HD2 LYS 39 - HE3 LYS 66 far 0 95 0 - 7.9-13.4 HD3 LYS 39 - HE2 LYS 66 far 0 92 0 - 8.7-13.4 HD3 LYS 39 - HE3 LYS 66 far 0 98 0 - 9.3-14.1 HD3 LYS 73 - HE3 LYS 68 far 0 88 0 - 9.6-14.5 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; 3.70 A increased from 3.48 A): 6 out of 35 assignments used, quality = 1.00: HG3 LYS 68 + HE3 LYS 68 OK 100 100 100 100 2.3-3.7 3.6=100 * HG3 LYS 68 + HE2 LYS 68 OK 95 100 95 100 2.4-4.1 3.6=100 HG2 LYS 94 + HE2 LYS 94 OK 90 95 95 99 2.0-4.1 3.9=86, 2.9/4206=22...(43) HG2 LYS 94 + HE3 LYS 94 OK 88 99 90 99 2.2-4.2 3.9=86, 2.9/4206=18...(45) HG3 LYS 94 + HE2 LYS 94 OK 68 68 100 99 2.0-4.0 3.9=86, 2.9/4206=22...(41) HG3 LYS 94 + HE3 LYS 94 OK 62 73 85 99 2.1-4.2 3.9=86, 2.9/4206=18...(44) QB ALA 67 - HE3 LYS 68 far 0 98 0 - 4.1-7.2 QB ALA 25 - HE3 LYS 94 far 0 99 0 - 4.7-8.5 QB ALA 25 - HE2 LYS 94 far 0 95 0 - 5.0-8.9 HB2 LEU 70 - HE2 LYS 66 far 0 80 0 - 5.0-9.1 QB ALA 67 - HE2 LYS 68 far 0 98 0 - 5.2-7.1 QB ALA 89 - HE3 LYS 90 far 0 65 0 - 5.2-6.1 HB2 LEU 70 - HE3 LYS 66 far 0 88 0 - 5.4-9.0 HG3 LYS 68 - HE3 LYS 66 far 0 98 0 - 6.0-9.8 QB ALA 67 - HE3 LYS 66 far 0 95 0 - 6.3-8.4 QB ALA 67 - HE2 LYS 66 far 0 88 0 - 6.3-8.4 HB2 LYS 82 - HE3 LYS 68 far 0 100 0 - 6.5-10.3 HB2 LYS 82 - HE2 LYS 68 far 0 100 0 - 6.7-10.5 QB ALA 89 - HE2 LYS 20 far 0 99 0 - 7.0-10.2 HG3 LYS 68 - HE2 LYS 66 far 0 92 0 - 7.0-9.4 HG2 LYS 94 - HE3 LYS 90 far 0 65 0 - 7.4-11.9 HG LEU 14 - HE3 LYS 90 far 0 68 0 - 7.6-9.0 QB ALA 89 - HE3 LYS 20 far 0 99 0 - 7.7-10.0 HG3 LYS 94 - HE3 LYS 90 far 0 43 0 - 7.7-12.5 HG LEU 14 - HE2 LYS 20 far 0 100 0 - 8.2-12.2 QB ALA 89 - HE3 LYS 94 far 0 99 0 - 8.3-11.4 HG2 LYS 39 - HE2 LYS 66 far 0 91 0 - 8.5-13.1 QB ALA 89 - HE2 LYS 94 far 0 95 0 - 8.7-11.5 HG2 LYS 39 - HE3 LYS 66 far 0 98 0 - 8.7-12.9 HB2 LEU 70 - HE3 LYS 68 far 0 92 0 - 8.7-10.5 HB2 LEU 70 - HE2 LYS 68 far 0 92 0 - 9.0-10.7 QB ALA 25 - HE3 LYS 90 far 0 65 0 - 9.2-10.5 QB ALA 25 - HE3 LYS 20 far 0 99 0 - 9.4-12.2 QB ALA 25 - HE2 LYS 20 far 0 99 0 - 9.5-11.9 HG LEU 14 - HE3 LYS 20 far 0 100 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 3071 from cnoeabs.peaks (1.65, 2.91, 41.80 ppm; 2.69 A): 12 out of 39 assignments used, quality = 1.00: * HD2 LYS 68 + HE2 LYS 68 OK 93 100 100 93 2.2-3.0 3.0=73, 3062/1.8=6...(50) HD3 LYS 68 + HE2 LYS 68 OK 88 100 95 93 2.2-3.0 3.0=73, 3048/3.6=7...(50) HD2 LYS 68 + HE3 LYS 68 OK 88 100 95 92 2.3-3.0 3.0=73, 3.0/4267=8...(47) HD3 LYS 68 + HE3 LYS 68 OK 88 100 95 92 2.4-3.0 3.0=73, 3.0/4267=8...(48) HD3 LYS 20 + HE3 LYS 20 OK 67 89 90 83 2.2-3.0 3.0=73, 1729/3.6=7...(22) HD2 LYS 20 + HE2 LYS 20 OK 64 85 90 83 2.3-3.0 3.0=73, 3.5/868=6...(23) HG2 LYS 68 + HE3 LYS 68 OK 62 99 70 90 2.3-4.2 3.6=42, 1.8/4267=11...(56) HD2 LYS 94 + HE2 LYS 94 OK 48 75 70 91 2.4-3.0 3.0=76, 3.5/4206=10...(26) HD2 LYS 94 + HE3 LYS 94 OK 48 81 65 91 2.2-3.0 3.0=76, 3.5/4206=8...(26) HD2 LYS 20 + HE3 LYS 20 OK 42 85 60 83 2.3-3.0 3.0=73, 1729/3.6=5...(23) HD3 LYS 20 + HE2 LYS 20 OK 37 89 50 83 2.3-3.0 3.0=73, 1729/3.6=7...(22) HG3 LYS 20 + HE2 LYS 20 OK 25 89 35 81 2.4-4.2 3.6=43, 3.0/868=6...(46) HG2 LYS 68 - HE2 LYS 68 poor 20 99 20 - 2.8-4.2 HG3 LYS 20 - HE3 LYS 20 poor 18 89 20 - 2.5-4.2 HD3 LYS 20 - HE3 LYS 90 far 0 55 0 - 4.4-8.4 HB3 ARG 91 - HE3 LYS 94 far 0 77 0 - 4.4-10.1 HG3 LYS 20 - HE3 LYS 90 far 0 55 0 - 4.9-8.9 HB3 ARG 91 - HE2 LYS 94 far 0 72 0 - 5.1-10.1 HD2 LYS 20 - HE3 LYS 90 far 0 52 0 - 5.6-8.5 HG2 LYS 68 - HE3 LYS 66 far 0 96 0 - 5.6-9.4 HD2 LYS 94 - HE3 LYS 90 far 0 48 0 - 5.8-11.6 HD2 LYS 68 - HE3 LYS 66 far 0 98 0 - 6.5-11.8 HG2 LYS 68 - HE2 LYS 66 far 0 89 0 - 6.7-9.1 HB3 ARG 79 - HE2 LYS 68 far 0 100 0 - 6.8-12.3 HD3 LYS 68 - HE3 LYS 66 far 0 98 0 - 6.8-11.8 HD2 LYS 73 - HE3 LYS 66 far 0 93 0 - 6.9-12.4 HD2 LYS 39 - HE2 LYS 66 far 0 92 0 - 7.1-12.9 HD2 LYS 73 - HE2 LYS 66 far 0 85 0 - 7.1-12.5 HD3 LYS 73 - HE3 LYS 66 far 0 94 0 - 7.2-13.1 HB3 ARG 91 - HE3 LYS 90 far 0 45 0 - 7.4-8.9 HD3 LYS 73 - HE2 LYS 66 far 0 87 0 - 7.4-13.0 HD3 LYS 68 - HE2 LYS 66 far 0 92 0 - 7.5-11.5 HB3 ARG 79 - HE3 LYS 68 far 0 100 0 - 7.8-12.8 HD2 LYS 68 - HE2 LYS 66 far 0 92 0 - 7.8-11.6 HD2 LYS 39 - HE3 LYS 66 far 0 98 0 - 7.9-13.4 HD3 LYS 39 - HE2 LYS 66 far 0 88 0 - 8.7-13.4 HD3 LYS 39 - HE3 LYS 66 far 0 95 0 - 9.3-14.1 HD3 LYS 73 - HE3 LYS 68 far 0 97 0 - 9.6-14.5 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): 12 out of 39 assignments used, quality = 1.00: HD2 LYS 68 + HE2 LYS 68 OK 93 100 100 93 2.2-3.0 3.0=73, 3062/1.8=6...(50) * HD3 LYS 68 + HE2 LYS 68 OK 88 100 95 93 2.2-3.0 3.0=73, 3048/3.6=7...(50) HD2 LYS 68 + HE3 LYS 68 OK 88 100 95 92 2.3-3.0 3.0=73, 3.0/4267=8...(47) HD3 LYS 68 + HE3 LYS 68 OK 88 100 95 92 2.4-3.0 3.0=73, 3.0/4267=8...(48) HD3 LYS 20 + HE3 LYS 20 OK 66 88 90 83 2.2-3.0 3.0=73, 1729/3.6=7...(22) HD2 LYS 20 + HE2 LYS 20 OK 63 84 90 83 2.3-3.0 3.0=73, 3.5/868=6...(23) HG2 LYS 68 + HE3 LYS 68 OK 62 99 70 90 2.3-4.2 3.6=42, 1.8/4267=11...(56) HD2 LYS 94 + HE2 LYS 94 OK 49 77 70 91 2.4-3.0 3.0=76, 3.5/4206=10...(26) HD2 LYS 94 + HE3 LYS 94 OK 49 82 65 91 2.2-3.0 3.0=76, 3.5/4206=8...(26) HD2 LYS 20 + HE3 LYS 20 OK 42 83 60 83 2.3-3.0 3.0=73, 1729/3.6=5...(23) HD3 LYS 20 + HE2 LYS 20 OK 37 88 50 83 2.3-3.0 3.0=73, 1729/3.6=7...(22) HG3 LYS 20 + HE2 LYS 20 OK 25 88 35 81 2.4-4.2 3.6=43, 3.0/868=6...(46) HG2 LYS 68 - HE2 LYS 68 poor 20 99 20 - 2.8-4.2 HG3 LYS 20 - HE3 LYS 20 poor 18 88 20 - 2.5-4.2 HD3 LYS 20 - HE3 LYS 90 far 0 54 0 - 4.4-8.4 HB3 ARG 91 - HE3 LYS 94 far 0 75 0 - 4.4-10.1 HG3 LYS 20 - HE3 LYS 90 far 0 54 0 - 4.9-8.9 HB3 ARG 91 - HE2 LYS 94 far 0 70 0 - 5.1-10.1 HD2 LYS 20 - HE3 LYS 90 far 0 50 0 - 5.6-8.5 HG2 LYS 68 - HE3 LYS 66 far 0 96 0 - 5.6-9.4 HD2 LYS 94 - HE3 LYS 90 far 0 49 0 - 5.8-11.6 HD2 LYS 68 - HE3 LYS 66 far 0 98 0 - 6.5-11.8 HG2 LYS 68 - HE2 LYS 66 far 0 90 0 - 6.7-9.1 HB3 ARG 79 - HE2 LYS 68 far 0 100 0 - 6.8-12.3 HD3 LYS 68 - HE3 LYS 66 far 0 98 0 - 6.8-11.8 HD2 LYS 73 - HE3 LYS 66 far 0 92 0 - 6.9-12.4 HD2 LYS 39 - HE2 LYS 66 far 0 92 0 - 7.1-12.9 HD2 LYS 73 - HE2 LYS 66 far 0 84 0 - 7.1-12.5 HD3 LYS 73 - HE3 LYS 66 far 0 94 0 - 7.2-13.1 HB3 ARG 91 - HE3 LYS 90 far 0 44 0 - 7.4-8.9 HD3 LYS 73 - HE2 LYS 66 far 0 86 0 - 7.4-13.0 HD3 LYS 68 - HE2 LYS 66 far 0 92 0 - 7.5-11.5 HB3 ARG 79 - HE3 LYS 68 far 0 100 0 - 7.8-12.8 HD2 LYS 68 - HE2 LYS 66 far 0 92 0 - 7.8-11.6 HD2 LYS 39 - HE3 LYS 66 far 0 98 0 - 7.9-13.4 HD3 LYS 39 - HE2 LYS 66 far 0 89 0 - 8.7-13.4 HD3 LYS 39 - HE3 LYS 66 far 0 96 0 - 9.3-14.1 HD3 LYS 73 - HE3 LYS 68 far 0 97 0 - 9.6-14.5 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): 6 out of 12 assignments used, quality = 1.00: * H GLU 69 + HE2 LYS 68 OK 100 100 100 100 4.7-6.0 7128/3.6=94, 7127/3.6=94...(16) H GLU 69 + HE3 LYS 68 OK 100 100 100 100 4.0-6.1 7129/3.6=94, 7127/3.6=94...(18) H ASP 65 + HE3 LYS 68 OK 65 94 70 99 4.2-7.4 3.0/10270=44...(20) H ASP 65 + HE2 LYS 68 OK 47 94 50 99 4.3-7.4 3.0/10270=44...(18) H GLU 69 + HE2 LYS 66 OK 40 92 45 96 5.6-7.7 2881/6.1=65...(11) H GLU 69 + HE3 LYS 66 OK 28 98 30 95 5.0-8.3 2881/6.1=65...(10) H ASP 65 - HE3 LYS 66 poor 18 90 20 - 4.5-8.3 H ASP 65 - HE2 LYS 66 poor 16 82 20 - 6.1-8.1 H GLN 72 - HE3 LYS 68 far 5 100 5 - 6.3-8.6 H GLN 72 - HE2 LYS 68 far 0 100 0 - 6.3-9.2 H GLN 72 - HE2 LYS 66 far 0 91 0 - 8.4-11.6 H GLN 72 - HE3 LYS 66 far 0 97 0 - 8.5-11.8 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 10 assignments used, quality = 1.00: * H LYS 68 + HE3 LYS 68 OK 100 100 100 100 3.3-6.0 7112/3.6=97, 3032/3.6=87...(22) H LYS 68 + HE2 LYS 68 OK 100 100 100 100 4.4-5.9 7111/3.6=97, 3032/3.6=87...(20) H LYS 68 - HE3 LYS 66 far 5 99 5 - 6.0-9.2 H SER 97 - HE2 LYS 94 far 3 70 5 - 6.1-9.2 H PHE 96 - HE3 LYS 94 far 0 83 0 - 6.5-8.4 H SER 97 - HE3 LYS 94 far 0 77 0 - 6.5-9.0 H PHE 96 - HE2 LYS 94 far 0 76 0 - 6.5-8.8 H LYS 68 - HE2 LYS 66 far 0 95 0 - 6.9-9.0 H ASP 36 - HE2 LYS 66 far 0 94 0 - 8.2-12.4 H ASP 36 - HE3 LYS 66 far 0 99 0 - 8.6-12.2 Violated in 0 structures by 0.00 A. Peak 3078 from cnoeabs.peaks (1.84, 2.91, 41.80 ppm; 4.33 A increased from 3.46 A): 8 out of 37 assignments used, quality = 1.00: * HB2 LYS 68 + HE3 LYS 68 OK 100 100 100 100 2.3-4.6 5.0=65, 2.9/4267=22...(63) HB3 LYS 68 + HE3 LYS 68 OK 71 71 100 100 2.0-4.5 5.0=65, 7107/7114=24...(60) HB3 LYS 90 + HE3 LYS 90 OK 62 62 100 100 2.6-4.6 4.8=71, ~3981=51...(25) HB3 LYS 68 + HE2 LYS 68 OK 60 71 85 100 2.3-4.9 5.0=65, 7107/7114=22...(60) HB2 LYS 68 + HE2 LYS 68 OK 60 100 60 100 2.0-4.9 5.0=65, 2998/7.2=21...(63) HB3 LYS 66 + HE3 LYS 66 OK 47 86 55 100 3.6-5.5 4.7=77, ~2943=50...(32) HB2 LYS 90 + HE3 LYS 90 OK 46 46 100 100 2.9-4.5 4.8=71, 3981/3.0=53...(24) HB3 LYS 66 + HE2 LYS 66 OK 32 79 40 100 3.6-5.5 4.7=77, ~2943=50...(32) HB2 LYS 90 - HE2 LYS 94 far 0 76 0 - 5.8-10.1 HB3 LYS 90 - HE2 LYS 94 far 0 95 0 - 6.0-9.1 HB3 LYS 90 - HE3 LYS 94 far 0 100 0 - 6.1-9.0 HB3 LYS 90 - HE2 LYS 20 far 0 100 0 - 6.2-11.7 HB2 LYS 90 - HE3 LYS 94 far 0 83 0 - 6.2-10.0 HB2 LYS 12 - HE2 LYS 20 far 0 83 0 - 6.8-11.1 HB2 LYS 90 - HE2 LYS 20 far 0 83 0 - 6.8-12.5 HB ILE 93 - HE3 LYS 94 far 0 67 0 - 6.9-8.8 HB ILE 93 - HE2 LYS 94 far 0 60 0 - 7.0-9.1 HB3 LYS 39 - HE2 LYS 66 far 0 78 0 - 7.0-13.5 HB3 LYS 39 - HE3 LYS 66 far 0 84 0 - 7.3-12.6 HB ILE 93 - HE3 LYS 90 far 0 35 0 - 7.3-8.6 HB3 LYS 90 - HE3 LYS 20 far 0 99 0 - 7.3-11.2 HB3 LYS 66 - HE3 LYS 68 far 0 88 0 - 7.6-10.3 HB3 LYS 66 - HE2 LYS 68 far 0 88 0 - 7.9-10.0 HB3 LYS 68 - HE3 LYS 66 far 0 69 0 - 7.9-11.4 HB2 LYS 12 - HE3 LYS 20 far 0 83 0 - 7.9-12.2 HB2 LYS 90 - HE3 LYS 20 far 0 83 0 - 8.1-12.1 HB2 LYS 68 - HE3 LYS 66 far 0 99 0 - 8.2-11.9 HB3 LYS 12 - HE2 LYS 20 far 0 80 0 - 8.6-12.7 HB2 GLU 88 - HE3 LYS 90 far 0 42 0 - 8.9-9.5 HB ILE 93 - HE2 LYS 20 far 0 67 0 - 9.0-12.4 HB3 LYS 68 - HE2 LYS 66 far 0 63 0 - 9.1-11.1 HB2 GLU 104 - HE2 LYS 68 far 0 79 0 - 9.2-29.4 HB2 LYS 68 - HE2 LYS 66 far 0 95 0 - 9.3-11.5 HB ILE 93 - HE3 LYS 20 far 0 66 0 - 9.3-12.5 HB3 LYS 12 - HE3 LYS 20 far 0 79 0 - 9.5-13.7 HB2 GLU 88 - HE3 LYS 94 far 0 78 0 - 9.6-14.9 HB3 GLU 104 - HE2 LYS 68 far 0 73 0 - 9.7-30.5 Violated in 0 structures by 0.00 A. Peak 3079 from cnoeabs.peaks (1.87, 2.91, 41.80 ppm; 4.34 A increased from 3.48 A): 9 out of 31 assignments used, quality = 1.00: * HB3 LYS 68 + HE3 LYS 68 OK 100 100 100 100 2.0-4.5 5.0=66, 3014/3.6=27...(60) HB2 LYS 20 + HE2 LYS 20 OK 88 93 95 100 2.3-5.5 4.7=78, 4.0/6313=20...(67) HB3 LYS 68 + HE2 LYS 68 OK 85 100 85 100 2.3-4.9 5.0=66, 3014/3.6=27...(60) HB2 LYS 20 + HE3 LYS 20 OK 74 93 80 100 2.0-4.7 4.7=78, 868/1.8=20...(69) HB2 LYS 68 + HE3 LYS 68 OK 71 71 100 100 2.3-4.6 5.0=66, 2.9/4267=22...(63) HB3 LYS 66 + HE3 LYS 66 OK 53 97 55 100 3.6-5.5 4.7=78, ~2943=51...(33) HB2 LYS 68 + HE2 LYS 68 OK 43 71 60 100 2.0-4.9 5.0=66, 4.0/7114=18...(63) HB3 LYS 66 + HE2 LYS 66 OK 37 92 40 100 3.6-5.5 4.7=78, ~2943=51...(33) HB3 LYS 90 + HE3 LYS 90 OK 33 33 100 100 2.6-4.6 4.8=72, ~3981=52...(25) HB2 ARG 19 - HE2 LYS 20 far 0 90 0 - 5.3-8.3 HB2 ARG 19 - HE3 LYS 20 far 0 89 0 - 5.7-8.5 HB3 LYS 90 - HE2 LYS 94 far 0 57 0 - 6.0-9.1 HB3 LYS 90 - HE3 LYS 94 far 0 63 0 - 6.1-9.0 HB3 LYS 90 - HE2 LYS 20 far 0 63 0 - 6.2-11.7 HB2 LYS 20 - HE3 LYS 90 far 0 54 0 - 6.5-7.8 HB2 LYS 12 - HE2 LYS 20 far 0 99 0 - 6.8-11.1 HB3 LYS 39 - HE2 LYS 66 far 0 92 0 - 7.0-13.5 HB3 LYS 39 - HE3 LYS 66 far 0 98 0 - 7.3-12.6 HB3 LYS 90 - HE3 LYS 20 far 0 62 0 - 7.3-11.2 HB3 LYS 66 - HE3 LYS 68 far 0 99 0 - 7.6-10.3 HB3 LYS 66 - HE2 LYS 68 far 0 99 0 - 7.9-10.0 HB3 LYS 68 - HE3 LYS 66 far 0 99 0 - 7.9-11.4 HB2 LYS 12 - HE3 LYS 20 far 0 99 0 - 7.9-12.2 HB2 LYS 68 - HE3 LYS 66 far 0 69 0 - 8.2-11.9 HB3 LYS 12 - HE2 LYS 20 far 0 100 0 - 8.6-12.7 HB3 LEU 14 - HE2 LYS 20 far 0 74 0 - 9.1-12.8 HB3 LYS 68 - HE2 LYS 66 far 0 95 0 - 9.1-11.1 HB2 LYS 68 - HE2 LYS 66 far 0 63 0 - 9.3-11.5 HB3 LEU 14 - HE3 LYS 90 far 0 40 0 - 9.3-11.1 HB3 LYS 12 - HE3 LYS 20 far 0 99 0 - 9.5-13.7 HB3 GLU 104 - HE2 LYS 68 far 0 100 0 - 9.7-30.5 Violated in 0 structures by 0.00 A. Peak 3080 from cnoeabs.peaks (1.64, 2.91, 41.80 ppm; 2.69 A): 12 out of 36 assignments used, quality = 1.00: HD2 LYS 68 + HE2 LYS 68 OK 91 99 100 93 2.2-3.0 3.0=73, 1.8/3062=6...(50) HD3 LYS 68 + HE2 LYS 68 OK 87 99 95 92 2.2-3.0 3.0=73, 3036/3.6=7...(49) HD3 LYS 68 + HE3 LYS 68 OK 87 99 95 92 2.4-3.0 3.0=73, 3.0/4267=8...(47) HD2 LYS 68 + HE3 LYS 68 OK 87 99 95 92 2.3-3.0 3.0=73, 3.0/4267=8...(47) * HG2 LYS 68 + HE3 LYS 68 OK 63 100 70 90 2.3-4.2 3.6=42, 1.8/4267=11...(56) HD2 LYS 94 + HE2 LYS 94 OK 56 87 70 91 2.4-3.0 3.0=76, 3.5/4206=10...(26) HD2 LYS 94 + HE3 LYS 94 OK 56 94 65 91 2.2-3.0 3.0=76, 3.5/4206=8...(26) HD3 LYS 20 + HE3 LYS 20 OK 54 72 90 83 2.2-3.0 3.0=73, 1729/3.6=7...(22) HD2 LYS 20 + HE2 LYS 20 OK 50 67 90 83 2.3-3.0 3.0=73, 3.5/868=6...(22) HD2 LYS 20 + HE3 LYS 20 OK 33 66 60 83 2.3-3.0 3.0=73, 1729/3.6=5...(22) HD3 LYS 20 + HE2 LYS 20 OK 30 73 50 83 2.3-3.0 3.0=73, 1729/3.6=7...(22) HG3 LYS 20 + HE2 LYS 20 OK 21 73 35 81 2.4-4.2 3.6=43, 3.0/868=6...(46) HG2 LYS 68 - HE2 LYS 68 poor 20 100 20 - 2.8-4.2 HG3 LYS 20 - HE3 LYS 20 poor 14 72 20 - 2.5-4.2 HD3 LYS 20 - HE3 LYS 90 far 0 39 0 - 4.4-8.4 HG3 LYS 20 - HE3 LYS 90 far 0 39 0 - 4.9-8.9 HD2 LYS 20 - HE3 LYS 90 far 0 35 0 - 5.6-8.5 HG2 LYS 68 - HE3 LYS 66 far 0 99 0 - 5.6-9.4 HD2 LYS 94 - HE3 LYS 90 far 0 54 0 - 5.8-11.6 HD2 LYS 68 - HE3 LYS 66 far 0 97 0 - 6.5-11.8 HG2 LYS 68 - HE2 LYS 66 far 0 95 0 - 6.7-9.1 HB3 ARG 79 - HE2 LYS 68 far 0 98 0 - 6.8-12.3 HD3 LYS 68 - HE3 LYS 66 far 0 98 0 - 6.8-11.8 HD2 LYS 73 - HE3 LYS 66 far 0 83 0 - 6.9-12.4 HD2 LYS 39 - HE2 LYS 66 far 0 91 0 - 7.1-12.9 HD2 LYS 73 - HE2 LYS 66 far 0 76 0 - 7.1-12.5 HD3 LYS 73 - HE3 LYS 66 far 0 86 0 - 7.2-13.1 HD3 LYS 73 - HE2 LYS 66 far 0 79 0 - 7.4-13.0 HD3 LYS 68 - HE2 LYS 66 far 0 92 0 - 7.5-11.5 HB3 ARG 79 - HE3 LYS 68 far 0 98 0 - 7.8-12.8 HD2 LYS 68 - HE2 LYS 66 far 0 92 0 - 7.8-11.6 HD2 LYS 39 - HE3 LYS 66 far 0 96 0 - 7.9-13.4 HD3 LYS 39 - HE2 LYS 66 far 0 94 0 - 8.7-13.4 HD3 LYS 39 - HE3 LYS 66 far 0 99 0 - 9.3-14.1 HD3 LYS 73 - HE3 LYS 68 far 0 88 0 - 9.6-14.5 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; 3.70 A increased from 3.48 A): 6 out of 35 assignments used, quality = 1.00: * HG3 LYS 68 + HE3 LYS 68 OK 100 100 100 100 2.3-3.7 3.6=100 HG3 LYS 68 + HE2 LYS 68 OK 95 100 95 100 2.4-4.1 3.6=100 HG2 LYS 94 + HE3 LYS 94 OK 88 99 90 99 2.2-4.2 3.9=86, 2.9/4206=18...(45) HG2 LYS 94 + HE2 LYS 94 OK 88 93 95 99 2.0-4.1 3.9=86, 2.9/4206=22...(43) HG3 LYS 94 + HE2 LYS 94 OK 65 66 100 99 2.0-4.0 3.9=86, 2.9/4206=22...(41) HG3 LYS 94 + HE3 LYS 94 OK 61 73 85 99 2.1-4.2 3.9=86, 2.9/4206=18...(44) QB ALA 67 - HE3 LYS 68 far 0 98 0 - 4.1-7.2 QB ALA 25 - HE3 LYS 94 far 0 99 0 - 4.7-8.5 QB ALA 25 - HE2 LYS 94 far 0 93 0 - 5.0-8.9 HB2 LEU 70 - HE2 LYS 66 far 0 83 0 - 5.0-9.1 QB ALA 67 - HE2 LYS 68 far 0 98 0 - 5.2-7.1 QB ALA 89 - HE3 LYS 90 far 0 60 0 - 5.2-6.1 HB2 LEU 70 - HE3 LYS 66 far 0 89 0 - 5.4-9.0 HG3 LYS 68 - HE3 LYS 66 far 0 99 0 - 6.0-9.8 QB ALA 67 - HE3 LYS 66 far 0 96 0 - 6.3-8.4 QB ALA 67 - HE2 LYS 66 far 0 91 0 - 6.3-8.4 HB2 LYS 82 - HE3 LYS 68 far 0 100 0 - 6.5-10.3 HB2 LYS 82 - HE2 LYS 68 far 0 100 0 - 6.7-10.5 QB ALA 89 - HE2 LYS 20 far 0 98 0 - 7.0-10.2 HG3 LYS 68 - HE2 LYS 66 far 0 95 0 - 7.0-9.4 HG2 LYS 94 - HE3 LYS 90 far 0 60 0 - 7.4-11.9 HG LEU 14 - HE3 LYS 90 far 0 63 0 - 7.6-9.0 QB ALA 89 - HE3 LYS 20 far 0 98 0 - 7.7-10.0 HG3 LYS 94 - HE3 LYS 90 far 0 39 0 - 7.7-12.5 HG LEU 14 - HE2 LYS 20 far 0 100 0 - 8.2-12.2 QB ALA 89 - HE3 LYS 94 far 0 99 0 - 8.3-11.4 HG2 LYS 39 - HE2 LYS 66 far 0 94 0 - 8.5-13.1 QB ALA 89 - HE2 LYS 94 far 0 93 0 - 8.7-11.5 HG2 LYS 39 - HE3 LYS 66 far 0 99 0 - 8.7-12.9 HB2 LEU 70 - HE3 LYS 68 far 0 92 0 - 8.7-10.5 HB2 LEU 70 - HE2 LYS 68 far 0 92 0 - 9.0-10.7 QB ALA 25 - HE3 LYS 90 far 0 60 0 - 9.2-10.5 QB ALA 25 - HE3 LYS 20 far 0 98 0 - 9.4-12.2 QB ALA 25 - HE2 LYS 20 far 0 98 0 - 9.5-11.9 HG LEU 14 - HE3 LYS 20 far 0 100 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 3082 from cnoeabs.peaks (1.65, 2.91, 41.80 ppm; 2.69 A): 12 out of 39 assignments used, quality = 1.00: HD2 LYS 68 + HE2 LYS 68 OK 93 100 100 93 2.2-3.0 3.0=73, 3062/1.8=6...(50) HD3 LYS 68 + HE2 LYS 68 OK 88 100 95 93 2.2-3.0 3.0=73, 3048/3.6=7...(50) * HD2 LYS 68 + HE3 LYS 68 OK 88 100 95 92 2.3-3.0 3.0=73, 3.0/4267=8...(47) HD3 LYS 68 + HE3 LYS 68 OK 88 100 95 92 2.4-3.0 3.0=73, 3.0/4267=8...(48) HD3 LYS 20 + HE3 LYS 20 OK 66 88 90 83 2.2-3.0 3.0=73, 1729/3.6=7...(22) HD2 LYS 20 + HE2 LYS 20 OK 63 85 90 83 2.3-3.0 3.0=73, 3.5/868=6...(23) HG2 LYS 68 + HE3 LYS 68 OK 62 99 70 90 2.3-4.2 3.6=42, 1.8/4267=11...(56) HD2 LYS 94 + HE3 LYS 94 OK 47 80 65 91 2.2-3.0 3.0=76, 3.5/4206=8...(26) HD2 LYS 94 + HE2 LYS 94 OK 47 73 70 91 2.4-3.0 3.0=76, 3.5/4206=10...(26) HD2 LYS 20 + HE3 LYS 20 OK 42 84 60 83 2.3-3.0 3.0=73, 1729/3.6=5...(23) HD3 LYS 20 + HE2 LYS 20 OK 37 89 50 83 2.3-3.0 3.0=73, 1729/3.6=7...(22) HG3 LYS 20 + HE2 LYS 20 OK 25 89 35 81 2.4-4.2 3.6=43, 3.0/868=6...(46) HG2 LYS 68 - HE2 LYS 68 poor 20 99 20 - 2.8-4.2 HG3 LYS 20 - HE3 LYS 20 poor 18 88 20 - 2.5-4.2 HD3 LYS 20 - HE3 LYS 90 far 0 50 0 - 4.4-8.4 HB3 ARG 91 - HE3 LYS 94 far 0 77 0 - 4.4-10.1 HG3 LYS 20 - HE3 LYS 90 far 0 50 0 - 4.9-8.9 HB3 ARG 91 - HE2 LYS 94 far 0 70 0 - 5.1-10.1 HD2 LYS 20 - HE3 LYS 90 far 0 47 0 - 5.6-8.5 HG2 LYS 68 - HE3 LYS 66 far 0 97 0 - 5.6-9.4 HD2 LYS 94 - HE3 LYS 90 far 0 44 0 - 5.8-11.6 HD2 LYS 68 - HE3 LYS 66 far 0 99 0 - 6.5-11.8 HG2 LYS 68 - HE2 LYS 66 far 0 92 0 - 6.7-9.1 HB3 ARG 79 - HE2 LYS 68 far 0 100 0 - 6.8-12.3 HD3 LYS 68 - HE3 LYS 66 far 0 99 0 - 6.8-11.8 HD2 LYS 73 - HE3 LYS 66 far 0 94 0 - 6.9-12.4 HD2 LYS 39 - HE2 LYS 66 far 0 94 0 - 7.1-12.9 HD2 LYS 73 - HE2 LYS 66 far 0 88 0 - 7.1-12.5 HD3 LYS 73 - HE3 LYS 66 far 0 96 0 - 7.2-13.1 HB3 ARG 91 - HE3 LYS 90 far 0 41 0 - 7.4-8.9 HD3 LYS 73 - HE2 LYS 66 far 0 90 0 - 7.4-13.0 HD3 LYS 68 - HE2 LYS 66 far 0 94 0 - 7.5-11.5 HB3 ARG 79 - HE3 LYS 68 far 0 100 0 - 7.8-12.8 HD2 LYS 68 - HE2 LYS 66 far 0 95 0 - 7.8-11.6 HD2 LYS 39 - HE3 LYS 66 far 0 99 0 - 7.9-13.4 HD3 LYS 39 - HE2 LYS 66 far 0 91 0 - 8.7-13.4 HD3 LYS 39 - HE3 LYS 66 far 0 97 0 - 9.3-14.1 HD3 LYS 73 - HE3 LYS 68 far 0 98 0 - 9.6-14.5 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): 12 out of 39 assignments used, quality = 1.00: HD2 LYS 68 + HE2 LYS 68 OK 93 100 100 93 2.2-3.0 3.0=73, 3062/1.8=6...(50) HD3 LYS 68 + HE2 LYS 68 OK 88 100 95 93 2.2-3.0 3.0=73, 3048/3.6=7...(50) HD2 LYS 68 + HE3 LYS 68 OK 88 100 95 92 2.3-3.0 3.0=73, 3.0/4267=8...(47) * HD3 LYS 68 + HE3 LYS 68 OK 88 100 95 92 2.4-3.0 3.0=73, 3.0/4267=8...(48) HD3 LYS 20 + HE3 LYS 20 OK 65 87 90 83 2.2-3.0 3.0=73, 1729/3.6=7...(22) HD2 LYS 20 + HE2 LYS 20 OK 62 83 90 83 2.3-3.0 3.0=73, 3.5/868=6...(23) HG2 LYS 68 + HE3 LYS 68 OK 62 99 70 90 2.3-4.2 3.6=42, 1.8/4267=11...(56) HD2 LYS 94 + HE3 LYS 94 OK 48 82 65 91 2.2-3.0 3.0=76, 3.5/4206=8...(26) HD2 LYS 94 + HE2 LYS 94 OK 48 75 70 91 2.4-3.0 3.0=76, 3.5/4206=10...(26) HD2 LYS 20 + HE3 LYS 20 OK 41 83 60 83 2.3-3.0 3.0=73, 1729/3.6=5...(23) HD3 LYS 20 + HE2 LYS 20 OK 36 87 50 83 2.3-3.0 3.0=73, 1729/3.6=7...(22) HG3 LYS 20 + HE2 LYS 20 OK 25 87 35 81 2.4-4.2 3.6=43, 3.0/868=6...(46) HG2 LYS 68 - HE2 LYS 68 poor 20 99 20 - 2.8-4.2 HG3 LYS 20 - HE3 LYS 20 poor 17 87 20 - 2.5-4.2 HD3 LYS 20 - HE3 LYS 90 far 0 49 0 - 4.4-8.4 HB3 ARG 91 - HE3 LYS 94 far 0 75 0 - 4.4-10.1 HG3 LYS 20 - HE3 LYS 90 far 0 49 0 - 4.9-8.9 HB3 ARG 91 - HE2 LYS 94 far 0 68 0 - 5.1-10.1 HD2 LYS 20 - HE3 LYS 90 far 0 46 0 - 5.6-8.5 HG2 LYS 68 - HE3 LYS 66 far 0 98 0 - 5.6-9.4 HD2 LYS 94 - HE3 LYS 90 far 0 45 0 - 5.8-11.6 HD2 LYS 68 - HE3 LYS 66 far 0 99 0 - 6.5-11.8 HG2 LYS 68 - HE2 LYS 66 far 0 92 0 - 6.7-9.1 HB3 ARG 79 - HE2 LYS 68 far 0 100 0 - 6.8-12.3 HD3 LYS 68 - HE3 LYS 66 far 0 99 0 - 6.8-11.8 HD2 LYS 73 - HE3 LYS 66 far 0 93 0 - 6.9-12.4 HD2 LYS 39 - HE2 LYS 66 far 0 94 0 - 7.1-12.9 HD2 LYS 73 - HE2 LYS 66 far 0 87 0 - 7.1-12.5 HD3 LYS 73 - HE3 LYS 66 far 0 95 0 - 7.2-13.1 HB3 ARG 91 - HE3 LYS 90 far 0 40 0 - 7.4-8.9 HD3 LYS 73 - HE2 LYS 66 far 0 89 0 - 7.4-13.0 HD3 LYS 68 - HE2 LYS 66 far 0 95 0 - 7.5-11.5 HB3 ARG 79 - HE3 LYS 68 far 0 100 0 - 7.8-12.8 HD2 LYS 68 - HE2 LYS 66 far 0 94 0 - 7.8-11.6 HD2 LYS 39 - HE3 LYS 66 far 0 99 0 - 7.9-13.4 HD3 LYS 39 - HE2 LYS 66 far 0 92 0 - 8.7-13.4 HD3 LYS 39 - HE3 LYS 66 far 0 97 0 - 9.3-14.1 HD3 LYS 73 - HE3 LYS 68 far 0 97 0 - 9.6-14.5 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): 6 out of 12 assignments used, quality = 1.00: * H GLU 69 + HE3 LYS 68 OK 100 100 100 100 4.0-6.1 7129/3.6=94, 7127/3.6=94...(18) H GLU 69 + HE2 LYS 68 OK 100 100 100 100 4.7-6.0 7128/3.6=94, 7127/3.6=94...(16) H ASP 65 + HE3 LYS 68 OK 65 94 70 99 4.2-7.4 3.0/10270=44...(20) H ASP 65 + HE2 LYS 68 OK 47 94 50 99 4.3-7.4 3.0/10270=44...(18) H GLU 69 + HE2 LYS 66 OK 41 95 45 96 5.6-7.7 2881/6.1=65...(11) H GLU 69 + HE3 LYS 66 OK 28 99 30 95 5.0-8.3 2881/6.1=65...(10) H ASP 65 - HE3 LYS 66 poor 18 92 20 - 4.5-8.3 H ASP 65 - HE2 LYS 66 poor 17 85 20 - 6.1-8.1 H GLN 72 - HE3 LYS 68 far 5 100 5 - 6.3-8.6 H GLN 72 - HE2 LYS 68 far 0 100 0 - 6.3-9.2 H GLN 72 - HE2 LYS 66 far 0 94 0 - 8.4-11.6 H GLN 72 - HE3 LYS 66 far 0 98 0 - 8.5-11.8 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 29 100 30 96 3.3-3.7 9554=65, 7173/9559=39...(12) H ASP 65 - HA GLU 69 far 0 94 0 - 8.1-8.2 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 7 assignments used, quality = 1.00: HB3 GLU 69 + HA GLU 69 OK 99 100 100 99 2.6-2.7 3.0=85, 3.0/3118=38...(21) * HB2 GLU 69 + HA GLU 69 OK 98 100 100 98 3.0-3.0 3.0=85, 3103/3.0=43...(18) HG2 GLU 69 + HA GLU 69 OK 39 100 40 97 2.9-3.6 1.8/3118=53, 3111=42...(21) HB3 GLU 95 + HA GLU 95 OK 21 21 100 98 2.3-3.0 3.0=84, 7540/3.0=25...(15) HB2 GLN 72 - HA GLU 69 far 0 63 0 - 3.6-4.3 QE MET 21 - HA GLU 95 far 0 24 0 - 6.1-6.7 HB2 LEU 64 - HA GLU 69 far 0 97 0 - 9.8-10.1 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 7 assignments used, quality = 1.00: * HB3 GLU 69 + HA GLU 69 OK 99 100 100 99 2.6-2.7 3.0=85, 3.0/3118=38...(21) HB2 GLU 69 + HA GLU 69 OK 98 100 100 98 3.0-3.0 3.0=85, 3103/3.0=43...(18) HG2 GLU 69 + HA GLU 69 OK 39 100 40 97 2.9-3.6 1.8/3118=53, 3111=42...(21) HB3 GLU 95 + HA GLU 95 OK 21 21 100 98 2.3-3.0 3.0=84, 7540/3.0=25...(15) HB2 GLN 72 - HA GLU 69 far 0 63 0 - 3.6-4.3 QE MET 21 - HA GLU 95 far 0 24 0 - 6.1-6.7 HB2 LEU 64 - HA GLU 69 far 0 97 0 - 9.8-10.1 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 7 assignments used, quality = 1.00: HB3 GLU 69 + HA GLU 69 OK 99 100 100 99 2.6-2.7 3.0=85, 3.0/3118=38...(21) HB2 GLU 69 + HA GLU 69 OK 98 100 100 98 3.0-3.0 3.0=85, 3103/3.0=43...(18) * HG2 GLU 69 + HA GLU 69 OK 39 100 40 97 2.9-3.6 1.8/3118=53, 3111=42...(21) HB3 GLU 95 + HA GLU 95 OK 21 21 100 98 2.3-3.0 3.0=84, 7540/3.0=25...(15) HB2 GLN 72 - HA GLU 69 far 0 63 0 - 3.6-4.3 QE MET 21 - HA GLU 95 far 0 24 0 - 6.1-6.7 HB2 LEU 64 - HA GLU 69 far 0 97 0 - 9.8-10.1 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 2.1-2.4 3118=100, 1.8/3111=63...(17) 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): 3 out of 6 assignments used, quality = 0.99: * HA LYS 66 + HB2 GLU 69 OK 97 100 100 97 2.1-2.5 2883=79, 2881/3095=46...(15) HA LYS 66 + HB3 GLU 69 OK 47 100 55 85 3.5-4.0 2882/1.8=60, 2881/4.0=35...(8) HA LYS 20 + HB3 GLU 23 OK 23 45 100 50 3.0-3.5 6358/4.0=26...(4) HA LYS 24 - HB3 GLU 23 far 0 49 0 - 4.2-4.5 HA GLU 16 - HB3 GLU 23 far 0 37 0 - 8.4-9.6 HA GLU 17 - HB3 GLU 23 far 0 46 0 - 8.6-9.2 Violated in 0 structures by 0.00 A. Peak 3095 from cnoeabs.peaks (7.90, 2.13, 29.27 ppm; 2.99 A): 1 out of 6 assignments used, quality = 0.99: * H GLU 69 + HB2 GLU 69 OK 99 100 100 99 2.2-2.3 7133=77, 3110/3.0=40...(17) H GLU 69 - HB3 GLU 69 far 0 100 0 - 3.5-3.6 H GLN 72 - HB3 GLU 69 far 0 100 0 - 5.0-5.5 H GLN 72 - HB2 GLU 69 far 0 100 0 - 5.2-5.6 H ASP 65 - HB2 GLU 69 far 0 94 0 - 6.3-6.5 H ASP 65 - HB3 GLU 69 far 0 94 0 - 8.0-8.1 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 4 assignments used, quality = 1.00: HA GLU 69 + HB3 GLU 69 OK 100 100 100 100 2.6-2.7 3.0=100 * HA GLU 69 + HB2 GLU 69 OK 100 100 100 100 3.0-3.0 3.0=100 HA LEU 70 - HB3 GLU 69 far 0 85 0 - 3.9-4.1 HA LEU 70 - HB2 GLU 69 far 0 85 0 - 4.5-4.7 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 + HB2 GLU 69 OK 99 100 100 99 2.7-3.0 3.0=94, 3118/3.0=41...(17) HG3 GLU 69 + HB3 GLU 69 OK 99 100 100 99 2.5-2.9 3.0=94, 3118/3.0=41...(14) 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 99 100 100 99 2.4-2.7 7137/3103=59, 7147=51...(14) H LEU 70 + HB3 GLU 69 OK 96 100 100 96 2.9-3.3 7147=49, 7137/4.0=42...(12) Violated in 0 structures by 0.00 A. Peak 3102 from cnoeabs.peaks (4.08, 2.13, 29.27 ppm; 3.38 A): 3 out of 6 assignments used, quality = 0.99: HA LYS 66 + HB2 GLU 69 OK 97 100 100 97 2.1-2.5 2883=79, 2881/3095=46...(15) * HA LYS 66 + HB3 GLU 69 OK 47 100 55 85 3.5-4.0 2882/1.8=60, 2881/4.0=35...(8) HA LYS 20 + HB3 GLU 23 OK 23 45 100 50 3.0-3.5 6358/4.0=26...(4) HA LYS 24 - HB3 GLU 23 far 0 49 0 - 4.2-4.5 HA GLU 16 - HB3 GLU 23 far 0 37 0 - 8.4-9.6 HA GLU 17 - HB3 GLU 23 far 0 46 0 - 8.6-9.2 Violated in 0 structures by 0.00 A. Peak 3103 from cnoeabs.peaks (7.90, 2.13, 29.27 ppm; 2.99 A): 1 out of 6 assignments used, quality = 0.99: H GLU 69 + HB2 GLU 69 OK 99 100 100 99 2.2-2.3 7133=77, 3110/3.0=40...(17) ! H GLU 69 - HB3 GLU 69 far 0 100 0 - 3.5-3.6 H GLN 72 - HB3 GLU 69 far 0 100 0 - 5.0-5.5 H GLN 72 - HB2 GLU 69 far 0 100 0 - 5.2-5.6 H ASP 65 - HB2 GLU 69 far 0 94 0 - 6.3-6.5 H ASP 65 - HB3 GLU 69 far 0 94 0 - 8.0-8.1 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 4 assignments used, quality = 1.00: * HA GLU 69 + HB3 GLU 69 OK 100 100 100 100 2.6-2.7 3.0=100 HA GLU 69 + HB2 GLU 69 OK 100 100 100 100 3.0-3.0 3.0=100 HA LEU 70 - HB3 GLU 69 far 0 85 0 - 3.9-4.1 HA LEU 70 - HB2 GLU 69 far 0 85 0 - 4.5-4.7 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 + HB2 GLU 69 OK 99 100 100 99 2.7-3.0 3.0=94, 3118/3.0=41...(17) * HG3 GLU 69 + HB3 GLU 69 OK 99 100 100 99 2.5-2.9 3.0=94, 3118/3.0=41...(14) 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 99 100 100 99 2.4-2.7 7137/3103=59, 7147=51...(14) * H LEU 70 + HB3 GLU 69 OK 96 100 100 96 2.9-3.3 7147=49, 7137/4.0=42...(12) 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 = 0.99: * H GLU 69 + HG2 GLU 69 OK 99 100 100 99 2.8-3.4 3117/1.8=62, 3095/3.0=61...(17) H ASP 65 - HG2 GLU 69 far 0 94 0 - 5.8-6.0 H GLN 72 - HG2 GLU 69 far 0 100 0 - 6.1-7.0 Violated in 0 structures by 0.00 A. Peak 3111 from cnoeabs.peaks (4.00, 2.13, 35.91 ppm; 3.79 A increased from 3.37 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 69 + HG2 GLU 69 OK 100 100 100 100 2.9-3.6 3118/1.8=87, 4.1=80...(22) HA LEU 70 - HG2 GLU 69 far 0 85 0 - 6.5-6.6 Violated in 0 structures by 0.00 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 5 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 HG2 GLU 48 - HG2 GLU 44 far 0 91 0 - 4.8-8.9 HB2 TYR 41 - HG2 GLU 44 far 0 73 0 - 6.0-6.5 HG3 GLU 43 - HG2 GLU 44 far 0 83 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 3116 from cnoeabs.peaks (7.96, 2.13, 35.91 ppm; 4.85 A increased from 3.88 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + HG2 GLU 69 OK 100 100 100 100 4.6-4.7 7137/3110=89...(8) H LEU 42 - HG2 GLU 44 far 0 93 0 - 7.5-7.7 Violated in 0 structures by 0.00 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 2.8-3.8 7136=86, 3110/1.8=83...(12) H GLN 72 - HG3 GLU 69 far 0 100 0 - 5.5-5.9 H ASP 65 - HG3 GLU 69 far 0 94 0 - 6.5-7.7 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 3 assignments used, quality = 1.00: * HA GLU 69 + HG3 GLU 69 OK 100 100 100 100 2.1-2.4 3092=84, 3111/1.8=56...(16) HA LEU 70 - HG3 GLU 69 far 0 85 0 - 6.1-6.5 HA LEU 70 - HG3 GLU 43 far 0 32 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 3119 from cnoeabs.peaks (2.13, 2.34, 35.91 ppm; 2.40 A): 3 out of 13 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 46 100 55 84 2.5-2.9 3.0=52, 3.0/3118=26...(11) ! HB2 GLU 69 - HG3 GLU 69 far 0 100 0 - 2.7-3.0 HB3 GLU 16 - HG2 GLU 16 far 0 57 0 - 2.7-3.0 HG2 GLU 44 - HG2 GLU 48 far 0 91 0 - 4.8-8.9 HB2 GLN 72 - HG3 GLU 69 far 0 63 0 - 5.1-6.0 HB2 PRO 86 - HG2 GLU 16 far 0 98 0 - 8.1-9.2 HG2 GLU 44 - HG3 GLU 43 far 0 43 0 - 8.1-9.1 HB2 LEU 64 - HG3 GLU 69 far 0 97 0 - 8.4-9.8 HB3 GLU 37 - HG3 GLU 43 far 0 44 0 - 8.6-11.3 HB3 PRO 86 - HG2 GLU 16 far 0 87 0 - 9.0-9.8 HG3 GLU 37 - HG3 GLU 43 far 0 38 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 3120 from cnoeabs.peaks (2.13, 2.34, 35.91 ppm; 2.40 A): 3 out of 13 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 46 100 55 84 2.5-2.9 3.0=52, 3.0/3118=26...(11) HB2 GLU 69 - HG3 GLU 69 far 0 100 0 - 2.7-3.0 HB3 GLU 16 - HG2 GLU 16 far 0 57 0 - 2.7-3.0 HG2 GLU 44 - HG2 GLU 48 far 0 91 0 - 4.8-8.9 HB2 GLN 72 - HG3 GLU 69 far 0 63 0 - 5.1-6.0 HB2 PRO 86 - HG2 GLU 16 far 0 98 0 - 8.1-9.2 HG2 GLU 44 - HG3 GLU 43 far 0 43 0 - 8.1-9.1 HB2 LEU 64 - HG3 GLU 69 far 0 97 0 - 8.4-9.8 HB3 GLU 37 - HG3 GLU 43 far 0 44 0 - 8.6-11.3 HB3 PRO 86 - HG2 GLU 16 far 0 87 0 - 9.0-9.8 HG3 GLU 37 - HG3 GLU 43 far 0 38 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 3121 from cnoeabs.peaks (2.13, 2.34, 35.91 ppm; 2.40 A): 3 out of 13 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 46 100 55 84 2.5-2.9 3.0=52, 3.0/3118=26...(11) HB2 GLU 69 - HG3 GLU 69 far 0 100 0 - 2.7-3.0 HB3 GLU 16 - HG2 GLU 16 far 0 57 0 - 2.7-3.0 HG2 GLU 44 - HG2 GLU 48 far 0 91 0 - 4.8-8.9 HB2 GLN 72 - HG3 GLU 69 far 0 63 0 - 5.1-6.0 HB2 PRO 86 - HG2 GLU 16 far 0 98 0 - 8.1-9.2 HG2 GLU 44 - HG3 GLU 43 far 0 43 0 - 8.1-9.1 HB2 LEU 64 - HG3 GLU 69 far 0 97 0 - 8.4-9.8 HB3 GLU 37 - HG3 GLU 43 far 0 44 0 - 8.6-11.3 HB3 PRO 86 - HG2 GLU 16 far 0 87 0 - 9.0-9.8 HG3 GLU 37 - HG3 GLU 43 far 0 38 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 3122 from cnoeabs.peaks (2.34, 2.34, 35.91 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 GLU 69 + HG3 GLU 69 OK 100 100 - 100 HG2 GLU 16 + HG2 GLU 16 OK 99 99 - 100 HG2 GLU 48 + HG2 GLU 48 OK 91 91 - 100 HG3 GLU 44 + HG3 GLU 44 OK 82 82 - 100 HG3 GLU 43 + HG3 GLU 43 OK 37 37 - 100 Peak 3123 from cnoeabs.peaks (7.96, 2.34, 35.91 ppm; 4.92 A increased from 4.15 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 70 + HG3 GLU 69 OK 100 100 100 100 4.6-5.0 7137/3117=85...(7) H LEU 42 + HG3 GLU 43 OK 34 44 80 98 3.9-5.6 6685/6696=76...(6) H LEU 42 - HG3 GLU 44 far 0 87 0 - 8.0-8.6 Violated in 0 structures by 0.00 A. Peak 3124 from cnoeabs.peaks (7.96, 4.02, 57.49 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + HA LEU 70 OK 100 100 100 100 2.8-2.8 3.0=100 H LEU 42 - HA LEU 70 far 0 100 0 - 8.8-9.7 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 3.0-3.0 3.0=100 HG2 LYS 39 - HA LEU 70 far 0 87 0 - 4.9-6.9 QB ALA 67 - HA LEU 70 far 0 73 0 - 6.8-7.1 HG3 LYS 68 - HA LEU 70 far 0 92 0 - 7.2-7.6 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 2.4-2.6 3.0=100 HG LEU 70 + HA LEU 70 OK 95 95 100 100 2.6-2.9 3.7=76, 2.1/3130=71...(19) HD3 LYS 66 - HA LEU 70 far 0 97 0 - 6.1-7.1 Violated in 0 structures by 0.00 A. Peak 3128 from cnoeabs.peaks (1.70, 4.02, 57.49 ppm; 3.36 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 70 + HA LEU 70 OK 100 100 100 100 2.6-2.9 3.7=76, 2.1/3130=71...(19) HB3 LEU 70 + HA LEU 70 OK 95 95 100 100 2.4-2.6 3.0=100 HD2 LYS 73 - HA LEU 70 far 0 75 0 - 3.7-5.1 HD3 LYS 73 - HA LEU 70 far 0 71 0 - 4.1-5.4 HD3 LYS 66 - HA LEU 70 far 0 100 0 - 6.1-7.1 Violated in 0 structures by 0.00 A. Peak 3129 from cnoeabs.peaks (0.81, 4.02, 57.49 ppm; 3.10 A): 1 out of 5 assignments used, quality = 0.99: QD2 LEU 70 + HA LEU 70 OK 99 99 100 100 2.1-2.5 3167=81, 3166/3.0=32...(24) ! QD1 LEU 70 - HA LEU 70 far 0 100 0 - 3.8-3.9 QD1 ILE 76 - HA LEU 70 far 0 96 0 - 5.8-6.7 QD2 LEU 38 - HA LEU 70 far 0 100 0 - 7.8-8.4 QG2 VAL 32 - HA LEU 70 far 0 96 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 3130 from cnoeabs.peaks (0.81, 4.02, 57.49 ppm; 3.10 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 70 + HA LEU 70 OK 100 100 100 100 2.1-2.5 3167=82, 3166/3.0=32...(24) QD1 LEU 70 - HA LEU 70 far 0 99 0 - 3.8-3.9 QD1 ILE 76 - HA LEU 70 far 0 100 0 - 5.8-6.7 QD2 LEU 38 - HA LEU 70 far 0 96 0 - 7.8-8.4 QD1 LEU 6 - HA LEU 70 far 0 63 0 - 8.6-9.2 QG2 VAL 32 - HA LEU 70 far 0 87 0 - 9.6-10.2 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 = 0.96: * HA ALA 67 + HB2 LEU 70 OK 93 100 100 93 3.1-3.7 7140/3133=51...(9) HA ALA 71 + HB2 LEU 70 OK 45 99 45 100 4.2-4.5 3.0/7159=79, 3141/1.8=66...(15) HA GLU 35 - HB2 LEU 70 far 0 71 0 - 6.0-6.6 HA LEU 38 - HB2 LEU 70 far 0 92 0 - 6.3-7.2 HA LYS 40 - HB2 LEU 70 far 0 99 0 - 9.0-10.1 HA GLU 43 - HB2 LEU 70 far 0 79 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 3133 from cnoeabs.peaks (7.96, 1.37, 41.70 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.3-2.6 7150=92, 3142/1.8=66...(16) H LEU 42 - HB2 LEU 70 far 0 100 0 - 7.0-8.0 Violated in 0 structures by 0.00 A. Peak 3134 from cnoeabs.peaks (4.02, 1.37, 41.70 ppm; 3.48 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 70 + HB2 LEU 70 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 69 - HB2 LEU 70 far 0 85 0 - 5.7-5.8 HA GLU 75 - HB2 LEU 70 far 0 93 0 - 9.9-10.4 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 92 95 100 97 2.6-2.7 3.0=68, 7151/3133=28...(17) HD3 LYS 66 - HB2 LEU 70 far 0 97 0 - 6.1-7.1 HB3 LYS 40 - HB2 LEU 70 far 0 73 0 - 9.9-11.4 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 97 100 100 97 2.6-2.7 3.0=68, 7152/3133=28...(17) HB3 LEU 70 + HB2 LEU 70 OK 95 95 100 100 1.8-1.8 1.8=100 HD3 LYS 66 - HB2 LEU 70 far 0 100 0 - 6.1-7.1 HD2 LYS 73 - HB2 LEU 70 far 0 75 0 - 6.5-8.1 HD3 LYS 73 - HB2 LEU 70 far 0 71 0 - 7.1-8.4 HB3 LYS 40 - HB2 LEU 70 far 0 96 0 - 9.9-11.4 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 2.0-2.3 3.1=91, 2.1/3137=36...(18) QD2 LEU 70 + HB2 LEU 70 OK 99 99 100 100 3.1-3.2 3.1=91, 3129/3.0=47...(15) QD2 LEU 38 - HB2 LEU 70 far 0 100 0 - 5.3-6.0 QD1 ILE 76 - HB2 LEU 70 far 0 96 0 - 5.4-6.5 QG2 VAL 32 - HB2 LEU 70 far 0 96 0 - 7.2-7.9 QG2 ILE 8 - HB2 LEU 70 far 0 79 0 - 8.7-9.4 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 3.1-3.2 3.1=91, 3130/3.0=47...(15) QD1 LEU 70 + HB2 LEU 70 OK 99 99 100 100 2.0-2.3 3.1=91, 2.1/3137=36...(19) QD2 LEU 38 - HB2 LEU 70 far 0 96 0 - 5.3-6.0 QD1 ILE 76 - HB2 LEU 70 far 0 100 0 - 5.4-6.5 QD1 LEU 6 - HB2 LEU 70 far 0 63 0 - 6.3-7.1 QG2 VAL 32 - HB2 LEU 70 far 0 87 0 - 7.2-7.9 QG2 ILE 8 - HB2 LEU 70 far 0 91 0 - 8.7-9.4 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 2.2-2.6 7159=100, 7161/1.8=83...(15) Violated in 0 structures by 0.00 A. Peak 3141 from cnoeabs.peaks (3.85, 1.72, 41.70 ppm; 4.39 A increased from 3.91 A): 1 out of 6 assignments used, quality = 0.99: HA ALA 71 + HB3 LEU 70 OK 99 99 100 100 4.1-4.4 3.0/7160=80, 2980=61...(15) ! HA ALA 67 - HB3 LEU 70 far 10 100 10 - 4.7-5.4 HA GLU 35 - HB3 LEU 70 far 0 71 0 - 6.1-6.9 HA LEU 38 - HB3 LEU 70 far 0 92 0 - 6.6-7.4 HA LYS 40 - HB3 LEU 70 far 0 99 0 - 7.9-8.9 HA GLU 43 - HB3 LEU 70 far 0 79 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 3142 from cnoeabs.peaks (7.96, 1.72, 41.70 ppm; 3.72 A increased from 3.31 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + HB3 LEU 70 OK 100 100 100 100 3.6-3.6 3.9=84, 3133/1.8=79...(14) H LEU 42 - HB3 LEU 70 far 0 100 0 - 6.6-7.3 Violated in 0 structures by 0.00 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 2.4-2.6 3.0=100 HA GLU 69 - HB3 LEU 70 far 0 85 0 - 6.6-6.6 HA GLU 75 - HB3 LEU 70 far 0 93 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 3144 from cnoeabs.peaks (1.37, 1.72, 41.70 ppm; 2.70 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 70 + HB3 LEU 70 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 39 - HB3 LEU 70 far 0 87 0 - 3.2-5.1 QB ALA 67 - HB3 LEU 70 far 0 73 0 - 5.9-6.4 HG3 LYS 68 - HB3 LEU 70 far 0 92 0 - 8.3-8.7 HG3 LYS 40 - HB3 LEU 70 far 0 99 0 - 10.0-11.2 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 2.5-2.7 3.1=85, 3138/1.8=33...(16) QD2 LEU 70 + HB3 LEU 70 OK 98 99 100 99 2.1-2.3 3.1=85, 3129/3.0=44...(14) QD1 ILE 76 - HB3 LEU 70 far 0 96 0 - 4.9-5.8 QD2 LEU 38 - HB3 LEU 70 far 0 100 0 - 6.1-6.7 QG2 VAL 32 - HB3 LEU 70 far 0 96 0 - 7.7-8.3 QG2 ILE 8 - HB3 LEU 70 far 0 79 0 - 9.6-10.4 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 2.1-2.3 3.1=85, 3130/3.0=44...(14) QD1 LEU 70 + HB3 LEU 70 OK 99 99 100 99 2.5-2.7 3.1=85, 3139/1.8=32...(16) QD1 ILE 76 - HB3 LEU 70 far 0 100 0 - 4.9-5.8 QD2 LEU 38 - HB3 LEU 70 far 0 96 0 - 6.1-6.7 QD1 LEU 6 - HB3 LEU 70 far 0 63 0 - 6.8-7.4 QG2 VAL 32 - HB3 LEU 70 far 0 87 0 - 7.7-8.3 QG2 ILE 8 - HB3 LEU 70 far 0 91 0 - 9.6-10.4 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 1 assignment used, quality = 1.00: * H ALA 71 + HB3 LEU 70 OK 100 100 100 100 3.1-3.5 7160=100, 7159/1.8=92...(11) 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 2.1-2.7 7152=100, 3133/3.0=64...(14) H LEU 42 - HG LEU 70 far 0 100 0 - 9.2-10.0 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 2.6-2.9 3.7=100 HA GLU 69 - HG LEU 70 far 0 85 0 - 5.4-5.8 HA GLU 17 - HG2 PRO 86 far 0 46 0 - 6.8-7.5 HA GLU 16 - HG2 PRO 86 far 0 58 0 - 9.4-10.3 HB3 SER 59 - HG2 PRO 86 far 0 67 0 - 10.0-11.8 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 6 assignments used, quality = 1.00: * HB2 LEU 70 + HG LEU 70 OK 100 100 100 100 2.6-2.7 3.0=100 HG LEU 14 - HG2 PRO 86 far 0 65 0 - 5.2-6.1 HG2 LYS 39 - HG LEU 70 far 0 87 0 - 5.5-7.5 QB ALA 67 - HG LEU 70 far 0 73 0 - 5.6-6.2 QB ALA 89 - HG2 PRO 86 far 0 51 0 - 5.8-6.3 HG3 LYS 68 - HG LEU 70 far 0 92 0 - 7.0-7.6 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 0 100 0 - 6.6-7.6 QD1 ILE 76 - HG LEU 70 far 0 96 0 - 7.3-8.2 QG2 VAL 32 - HG LEU 70 far 0 96 0 - 8.4-9.4 QG2 ILE 8 - HG LEU 70 far 0 79 0 - 8.9-10.0 QD1 LEU 57 - HG2 PRO 86 far 0 71 0 - 9.0-10.2 QG2 ILE 15 - HG2 PRO 86 far 0 74 0 - 9.0-9.9 QG2 ILE 7 - HG2 PRO 86 far 0 67 0 - 9.7-10.4 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 0 96 0 - 6.6-7.6 QD1 ILE 76 - HG LEU 70 far 0 100 0 - 7.3-8.2 QD1 LEU 6 - HG LEU 70 far 0 63 0 - 8.2-9.1 QD1 ILE 93 - HG2 PRO 86 far 0 39 0 - 8.2-9.3 QG2 VAL 32 - HG LEU 70 far 0 87 0 - 8.4-9.4 QG2 ILE 8 - HG LEU 70 far 0 91 0 - 8.9-10.0 QD1 LEU 57 - HG2 PRO 86 far 0 64 0 - 9.0-10.2 QG2 ILE 15 - HG2 PRO 86 far 0 75 0 - 9.0-9.9 QG2 ILE 7 - HG2 PRO 86 far 0 73 0 - 9.7-10.4 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 4.3-4.6 7159/3.0=98...(11) Violated in 0 structures by 0.00 A. Peak 3158 from cnoeabs.peaks (7.96, 0.81, 25.21 ppm; 5.87 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 70 + QD1 LEU 70 OK 100 100 100 100 3.1-3.4 4.6=100 H LEU 42 + QD2 LEU 38 OK 67 67 100 100 5.1-5.5 8912/2.1=99, ~8933=56...(8) H LEU 42 - QD1 LEU 70 far 0 100 0 - 6.3-7.1 H LEU 70 - QD2 LEU 38 far 0 67 0 - 6.8-7.4 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 8 assignments used, quality = 1.00: * HA LEU 70 + QD1 LEU 70 OK 100 100 100 100 3.8-3.9 4.0=100 HA GLU 69 - QD1 LEU 70 far 0 85 0 - 6.0-6.4 HA LEU 70 - QD2 LEU 38 far 0 67 0 - 7.8-8.4 HB3 SER 59 - QD2 LEU 57 far 0 54 0 - 7.9-9.2 HA GLU 95 - QD2 LEU 57 far 0 61 0 - 9.0-9.6 HB3 SER 59 - QD2 LEU 38 far 0 59 0 - 9.2-10.2 HA GLU 69 - QD2 LEU 38 far 0 51 0 - 9.3-9.8 HB3 SER 97 - QD2 LEU 57 far 0 33 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 3160 from cnoeabs.peaks (1.37, 0.81, 25.21 ppm; 3.49 A): 3 out of 25 assignments used, quality = 1.00: * HB2 LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.0-2.3 3.1=100 HG12 ILE 8 + QD2 LEU 38 OK 60 66 100 91 2.9-3.3 ~12201=25, 308=23...(14) QB ALA 67 + QD2 LEU 38 OK 31 42 100 75 2.9-3.6 9526=41, 9528/10674=19...(10) QB ALA 67 - QD1 LEU 70 far 0 73 0 - 3.8-4.4 HG2 LYS 39 - QD1 LEU 70 far 0 87 0 - 4.0-5.8 QB ALA 89 - QD2 LEU 57 far 0 40 0 - 4.1-5.1 HB2 LEU 70 - QD2 LEU 38 far 0 67 0 - 5.3-6.0 QB ALA 67 - QD2 LEU 57 far 0 38 0 - 5.6-6.0 HB3 ARG 30 - QD2 LEU 38 far 0 67 0 - 5.7-6.2 HG3 LYS 40 - QD2 LEU 38 far 0 64 0 - 6.1-7.6 HG12 ILE 8 - QD2 LEU 57 far 0 60 0 - 6.1-7.0 HB2 LYS 82 - QD2 LEU 57 far 0 45 0 - 6.4-8.1 HG3 LYS 68 - QD1 LEU 70 far 0 92 0 - 6.8-7.4 HG12 ILE 8 - QD1 LEU 70 far 0 100 0 - 7.1-7.9 HG2 LYS 39 - QD2 LEU 38 far 0 52 0 - 7.1-7.6 HG LEU 14 - QD2 LEU 57 far 0 52 0 - 7.4-8.3 HB3 ARG 30 - QD2 LEU 57 far 0 61 0 - 7.5-9.4 HB3 LEU 27 - QD2 LEU 57 far 0 46 0 - 7.8-9.7 QB ALA 25 - QD2 LEU 57 far 0 40 0 - 7.8-8.9 HG2 LYS 94 - QD2 LEU 57 far 0 40 0 - 8.2-10.5 HG3 LYS 40 - QD1 LEU 70 far 0 99 0 - 8.3-9.7 HG3 LYS 94 - QD2 LEU 57 far 0 57 0 - 8.3-10.8 QB ALA 89 - QD2 LEU 38 far 0 45 0 - 8.9-9.3 HG3 LYS 68 - QD2 LEU 38 far 0 56 0 - 8.9-9.5 HB2 LYS 82 - QD2 LEU 38 far 0 50 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 3161 from cnoeabs.peaks (1.72, 0.81, 25.21 ppm; 3.74 A): 2 out of 20 assignments used, quality = 1.00: * HB3 LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.5-2.7 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 far 10 97 10 - 3.9-4.9 HD2 ARG 81 - QD2 LEU 57 far 0 58 0 - 4.6-6.7 HB3 LEU 70 - QD2 LEU 38 far 0 67 0 - 6.1-6.7 HG LEU 70 - QD2 LEU 38 far 0 59 0 - 6.6-7.6 HB3 ARG 91 - QD2 LEU 57 far 0 36 0 - 7.5-7.9 HB3 LYS 40 - QD1 LEU 70 far 0 73 0 - 7.5-8.9 HB3 LYS 40 - QD2 LEU 38 far 0 42 0 - 7.6-8.1 HG12 ILE 15 - QD2 LEU 57 far 0 49 0 - 8.3-9.9 HD3 LYS 66 - QD2 LEU 38 far 0 62 0 - 8.5-9.4 HB3 LYS 53 - QD2 LEU 57 far 0 40 0 - 8.6-9.2 HG12 ILE 15 - QD2 LEU 38 far 0 54 0 - 8.7-10.1 HD3 LYS 33 - QD2 LEU 38 far 0 65 0 - 8.8-9.4 HD2 LYS 33 - QD2 LEU 38 far 0 65 0 - 9.0-9.6 HD3 LYS 90 - QD2 LEU 57 far 0 52 0 - 9.3-11.0 HD2 LYS 90 - QD2 LEU 57 far 0 47 0 - 9.5-10.4 HB2 GLU 28 - QD2 LEU 57 far 0 43 0 - 9.7-11.7 HB ILE 15 - QD2 LEU 57 far 0 56 0 - 10.0-11.5 HB2 GLU 28 - QD2 LEU 38 far 0 48 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 3162 from cnoeabs.peaks (1.70, 0.81, 25.21 ppm; 3.74 A): 2 out of 19 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 2.5-2.7 3.1=100 HD3 LYS 66 - QD1 LEU 70 far 10 100 10 - 3.9-4.9 HD2 ARG 81 - QD2 LEU 57 far 0 43 0 - 4.6-6.7 HB3 LEU 70 - QD2 LEU 38 far 0 59 0 - 6.1-6.7 HD2 LYS 73 - QD1 LEU 70 far 0 75 0 - 6.2-7.7 HG LEU 70 - QD2 LEU 38 far 0 67 0 - 6.6-7.6 HD3 LYS 73 - QD1 LEU 70 far 0 71 0 - 6.7-8.1 HB3 ARG 91 - QD2 LEU 57 far 0 54 0 - 7.5-7.9 HB3 LYS 40 - QD1 LEU 70 far 0 96 0 - 7.5-8.9 HB3 LYS 40 - QD2 LEU 38 far 0 61 0 - 7.6-8.1 HG12 ILE 15 - QD2 LEU 57 far 0 60 0 - 8.3-9.9 HD3 LYS 66 - QD2 LEU 38 far 0 67 0 - 8.5-9.4 HB3 LYS 53 - QD2 LEU 57 far 0 57 0 - 8.6-9.2 HG12 ILE 15 - QD2 LEU 38 far 0 66 0 - 8.7-10.1 HD3 LYS 33 - QD2 LEU 38 far 0 50 0 - 8.8-9.4 HD2 LYS 33 - QD2 LEU 38 far 0 50 0 - 9.0-9.6 HD3 LYS 90 - QD2 LEU 57 far 0 61 0 - 9.3-11.0 HB ILE 15 - QD2 LEU 57 far 0 39 0 - 10.0-11.5 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): 1 out of 7 assignments used, quality = 1.00: * H ALA 71 + QD1 LEU 70 OK 100 100 100 100 3.8-4.3 7162=100, 7159/3.1=100...(12) H ALA 71 - QD2 LEU 38 lone 4 67 100 6 6.2-6.7 10823/12069=3 H LYS 94 - QD2 LEU 57 far 3 61 5 - 6.7-7.8 H PHE 45 - QD2 LEU 38 far 0 67 0 - 8.3-8.8 H LEU 103 - QD2 LEU 57 far 0 43 0 - 9.6-17.2 H GLU 23 - QD2 LEU 57 far 0 54 0 - 9.9-11.6 H LEU 27 - QD2 LEU 57 far 0 52 0 - 9.9-11.6 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 3.6-3.9 7152/2.1=94, 3.0/3130=82...(10) H LEU 42 - QD2 LEU 70 far 0 100 0 - 6.7-7.4 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 2.1-2.5 3130=100, 3.0/3166=37...(24) HA GLU 69 - QD2 LEU 70 far 0 85 0 - 6.0-6.3 HB3 SER 59 - QD1 LEU 57 far 0 51 0 - 6.3-7.8 HA GLU 95 - QD1 LEU 57 far 0 58 0 - 9.2-9.8 HA GLU 75 - QD2 LEU 70 far 0 93 0 - 9.4-9.8 HA GLU 17 - QD1 LEU 57 far 0 35 0 - 9.7-10.4 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 15 assignments used, quality = 1.00: * HB2 LEU 70 + QD2 LEU 70 OK 100 100 100 100 3.1-3.2 3.1=100 HG2 LYS 39 + QD2 LEU 70 OK 31 87 40 90 2.7-4.4 10569=40, 3.9/10822=26...(16) QB ALA 89 + QD1 LEU 57 OK 31 38 95 85 2.8-3.7 2.1/9541=46, 2.9/9926=30...(10) HG LEU 14 - QD1 LEU 57 far 0 50 0 - 5.9-6.8 HB2 LYS 82 - QD1 LEU 57 far 0 43 0 - 5.9-6.1 QB ALA 67 - QD2 LEU 70 far 0 73 0 - 6.0-6.4 QB ALA 67 - QD1 LEU 57 far 0 36 0 - 6.4-7.1 HG12 ILE 8 - QD1 LEU 57 far 0 58 0 - 7.1-7.9 HG3 LYS 94 - QD1 LEU 57 far 0 55 0 - 7.6-10.7 HG3 LYS 68 - QD2 LEU 70 far 0 92 0 - 7.7-8.2 HG2 LYS 94 - QD1 LEU 57 far 0 38 0 - 7.8-10.1 QB ALA 25 - QD1 LEU 57 far 0 38 0 - 8.8-9.3 HG3 LYS 40 - QD2 LEU 70 far 0 99 0 - 8.9-9.9 HG12 ILE 8 - QD2 LEU 70 far 0 100 0 - 9.5-10.4 HB3 LEU 27 - QD1 LEU 57 far 0 44 0 - 9.9-11.2 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 11 assignments used, quality = 1.00: * HB3 LEU 70 + QD2 LEU 70 OK 99 100 100 99 2.1-2.3 3.1=79, 3.0/3130=42...(15) HG LEU 70 + QD2 LEU 70 OK 95 95 100 100 2.1-2.1 2.1=100 HD2 ARG 81 - QD1 LEU 57 far 0 56 0 - 4.3-5.8 HD3 LYS 66 - QD2 LEU 70 far 0 97 0 - 4.4-6.0 HB3 ARG 91 - QD1 LEU 57 far 0 35 0 - 5.8-6.3 HB3 LYS 40 - QD2 LEU 70 far 0 73 0 - 7.3-8.8 HD3 LYS 90 - QD1 LEU 57 far 0 50 0 - 7.7-9.0 HD2 LYS 90 - QD1 LEU 57 far 0 45 0 - 7.7-8.6 HG12 ILE 15 - QD1 LEU 57 far 0 47 0 - 8.3-9.4 HG2 PRO 86 - QD1 LEU 57 far 0 46 0 - 9.0-10.2 HB ILE 15 - QD1 LEU 57 far 0 53 0 - 10.0-10.7 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 12 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 2.1-2.3 3.1=79, 3.0/3130=42...(15) HD2 LYS 73 - QD2 LEU 70 far 0 75 0 - 3.8-5.3 HD3 LYS 73 - QD2 LEU 70 far 0 71 0 - 4.3-5.9 HD2 ARG 81 - QD1 LEU 57 far 0 42 0 - 4.3-5.8 HD3 LYS 66 - QD2 LEU 70 far 0 100 0 - 4.4-6.0 HB3 ARG 91 - QD1 LEU 57 far 0 52 0 - 5.8-6.3 HB3 LYS 40 - QD2 LEU 70 far 0 96 0 - 7.3-8.8 HD3 LYS 90 - QD1 LEU 57 far 0 58 0 - 7.7-9.0 HG12 ILE 15 - QD1 LEU 57 far 0 58 0 - 8.3-9.4 HG2 PRO 86 - QD1 LEU 57 far 0 58 0 - 9.0-10.2 HB ILE 15 - QD1 LEU 57 far 0 37 0 - 10.0-10.7 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 2 assignments used, quality = 1.00: * H ALA 71 + QD2 LEU 70 OK 100 100 100 100 4.6-4.8 7159/3.1=93, 7160/3.1=86...(10) H LYS 94 - QD1 LEU 57 far 0 58 0 - 6.9-7.3 Violated in 0 structures by 0.00 A. Peak 3174 from cnoeabs.peaks (8.26, 3.85, 55.14 ppm; 3.33 A): 2 out of 6 assignments used, quality = 1.00: * H ALA 71 + HA ALA 71 OK 100 100 100 100 2.8-2.8 3.0=100 H GLU 23 + HA ALA 22 OK 53 54 100 99 3.5-3.6 3.6=81, 6363/2.1=61...(10) H LEU 27 - HA ALA 22 far 0 51 0 - 3.8-4.2 H ALA 71 - HA ALA 67 far 0 80 0 - 4.0-4.4 H LYS 94 - HA ALA 22 far 0 60 0 - 6.1-6.8 H PHE 45 - HA ALA 71 far 0 100 0 - 8.6-9.1 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 9 assignments used, quality = 1.00: * QB ALA 71 + HA ALA 71 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 22 + HA ALA 22 OK 45 45 100 100 2.1-2.1 2.1=100 QB ALA 71 - HA ALA 67 far 0 80 0 - 4.2-4.7 HG13 ILE 76 - HA ALA 71 far 0 84 0 - 4.5-5.3 HG3 LYS 39 - HA ALA 71 far 0 75 0 - 5.8-8.4 HG LEU 29 - HA ALA 22 far 0 45 0 - 6.3-6.6 HG3 LYS 39 - HA ALA 67 far 0 53 0 - 7.1-10.3 HG3 LYS 94 - HA ALA 22 far 0 40 0 - 8.1-9.4 HG12 ILE 7 - HA ALA 22 far 0 56 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 3177 from cnoeabs.peaks (7.91, 3.85, 55.14 ppm; 3.92 A): 1 out of 5 assignments used, quality = 1.00: * H GLN 72 + HA ALA 71 OK 100 100 100 100 3.5-3.5 3.6=100 H GLU 69 - HA ALA 67 far 0 79 0 - 4.2-4.6 H GLN 72 - HA ALA 67 far 0 80 0 - 6.3-6.6 H ASP 65 - HA ALA 67 far 0 75 0 - 6.7-6.8 H GLU 69 - HA ALA 71 far 0 100 0 - 6.7-7.0 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 - 7.6-8.3 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 6 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 - 4.2-4.7 HA LEU 38 - QB ALA 71 far 0 81 0 - 6.8-7.2 HA GLU 43 - QB ALA 71 far 0 63 0 - 7.6-8.3 HB3 SER 49 - QB ALA 71 far 0 99 0 - 8.1-9.8 HA LYS 40 - QB ALA 71 far 0 93 0 - 9.0-9.6 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 2.5-2.9 7170=100, 7166/7165=62...(15) H GLU 69 - QB ALA 71 far 0 100 0 - 4.6-5.1 H ASP 65 - QB ALA 71 far 0 98 0 - 8.7-9.0 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 - 5.2-5.3 H GLU 69 - HA GLN 72 far 0 100 0 - 6.9-7.2 H GLU 69 - HA LYS 73 far 0 57 0 - 8.4-8.7 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): 1 out of 18 assignments used, quality = 1.00: * HB2 GLN 72 + HA GLN 72 OK 100 100 100 100 2.6-2.7 3.0=100 HB3 GLU 16 - HA LYS 13 far 7 70 10 - 2.4-5.1 HB2 GLN 72 - HA LYS 73 far 0 58 0 - 3.9-4.1 HG2 GLU 75 - HA LYS 73 far 0 56 0 - 4.6-6.6 HG3 GLU 75 - HA LYS 73 far 0 55 0 - 4.6-6.5 HG2 GLU 75 - HA GLN 72 far 0 99 0 - 5.2-7.7 HG3 PRO 86 - HA LYS 13 far 0 44 0 - 5.7-8.4 HB2 GLU 75 - HA GLN 72 far 0 81 0 - 5.8-6.9 HG3 GLU 75 - HA GLN 72 far 0 99 0 - 6.0-7.6 HB3 GLU 75 - HA GLN 72 far 0 84 0 - 6.2-6.9 HB3 GLU 75 - HA LYS 73 far 0 42 0 - 6.3-7.0 HB3 GLU 69 - HA LYS 73 far 0 30 0 - 6.5-6.9 HB2 GLU 75 - HA LYS 73 far 0 40 0 - 6.7-7.2 HB3 GLU 69 - HA GLN 72 far 0 63 0 - 7.2-7.7 HB2 GLU 69 - HA GLN 72 far 0 63 0 - 7.7-8.2 HB2 GLU 69 - HA LYS 73 far 0 30 0 - 7.9-8.3 HG2 GLU 69 - HA GLN 72 far 0 63 0 - 8.0-9.1 HG2 GLU 69 - HA LYS 73 far 0 30 0 - 8.5-9.2 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 0 68 0 - 4.1-6.5 HB3 GLN 72 - HA LYS 73 far 0 58 0 - 4.7-4.9 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 2.1-2.5 3.9=72, 1.8/3187=64...(14) HG3 GLU 17 - HA LYS 13 far 0 69 0 - 4.0-6.6 HG2 GLN 72 - HA LYS 73 far 0 58 0 - 6.0-6.3 HB2 ASP 11 - HA LYS 13 far 0 68 0 - 6.4-7.1 Violated in 0 structures by 0.00 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 2.7-3.2 3.9=90, 1.8/3186=81...(14) HG2 MET 74 - HA LYS 73 far 0 55 0 - 5.0-6.0 HG2 MET 74 - HA GLN 72 far 0 99 0 - 6.3-7.0 HG3 GLN 72 - HA LYS 73 far 0 58 0 - 6.6-6.7 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...(9) H LYS 73 + HA LYS 73 OK 58 58 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 3191 from cnoeabs.peaks (7.91, 2.16, 28.06 ppm; 3.67 A increased from 3.27 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 72 + HB2 GLN 72 OK 100 100 100 100 3.4-3.5 7172=100, 7173/1.8=89...(12) H GLU 69 - HB2 GLN 72 far 0 100 0 - 6.1-6.6 Violated in 0 structures by 0.00 A. Peak 3192 from cnoeabs.peaks (4.15, 2.16, 28.06 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 72 + HB2 GLN 72 OK 100 100 100 100 2.6-2.7 3.0=100 HA LYS 73 - HB2 GLN 72 far 0 95 0 - 3.9-4.1 Violated in 0 structures by 0.00 A. Peak 3193 from cnoeabs.peaks (2.16, 2.16, 28.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 72 + HB2 GLN 72 OK 100 100 - 100 Peak 3194 from cnoeabs.peaks (2.23, 2.16, 28.06 ppm; 2.44 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 72 + HB2 GLN 72 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3195 from cnoeabs.peaks (2.42, 2.16, 28.06 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 72 + HB2 GLN 72 OK 100 100 100 100 2.4-2.7 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 2.9-3.0 3.0=100 HG2 MET 74 - HB2 GLN 72 far 0 99 0 - 7.1-8.0 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 2.9-3.5 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 2 assignments used, quality = 1.00: * H GLN 72 + HB3 GLN 72 OK 100 100 100 100 2.1-2.2 7173=100, 7172/1.8=59...(12) H GLU 69 - HB3 GLN 72 far 0 100 0 - 4.5-4.9 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 0 95 0 - 4.7-4.9 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 - 4.4-5.1 HB2 GLU 69 - HB3 GLN 72 far 0 63 0 - 5.0-5.6 HG2 GLU 69 - HB3 GLN 72 far 0 63 0 - 5.1-6.2 HG2 GLU 75 - HB3 GLN 72 far 0 99 0 - 7.2-9.9 HG3 GLU 75 - HB3 GLN 72 far 0 99 0 - 8.0-9.6 HB2 GLU 75 - HB3 GLN 72 far 0 81 0 - 8.4-9.5 HB3 GLU 75 - HB3 GLN 72 far 0 84 0 - 8.8-9.3 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 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3205 from cnoeabs.peaks (2.54, 2.23, 28.06 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 72 + HB3 GLN 72 OK 100 100 100 100 2.2-2.5 3.0=100 HG2 MET 74 - HB3 GLN 72 far 0 99 0 - 6.7-7.4 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 2.6-3.0 7199=100, 7198/1.8=88...(11) H LYS 66 - HB3 GLN 72 far 0 59 0 - 8.9-9.4 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 3.6-4.0 7174=100, 7175/1.8=91...(14) H GLU 69 - HG2 GLN 72 far 0 100 0 - 6.5-7.0 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 2.1-2.5 3.9=100 HA LYS 47 - HG2 GLN 50 far 0 68 0 - 5.9-11.2 HA LYS 73 - HG2 GLN 72 far 0 95 0 - 6.0-6.3 HA LYS 47 - HG3 GLN 50 far 0 95 0 - 6.0-10.7 HA MET 1 - HG2 GLN 50 far 0 71 0 - 6.3-9.3 HA MET 1 - HG3 GLN 50 far 0 97 0 - 6.6-10.0 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 13 assignments used, quality = 1.00: * HB2 GLN 72 + HG2 GLN 72 OK 100 100 100 100 2.4-2.7 3.0=100 HB3 GLN 50 + HG3 GLN 50 OK 95 95 100 100 2.4-3.0 2.9=100 HB3 GLN 50 + HG2 GLN 50 OK 68 68 100 100 2.2-2.5 2.9=100 HG2 GLU 75 - HG2 GLN 72 far 0 99 0 - 6.5-9.2 HB2 GLU 75 - HG2 GLN 72 far 0 81 0 - 6.9-8.5 HB3 GLU 69 - HG2 GLN 72 far 0 63 0 - 7.3-8.0 HG2 GLU 69 - HG2 GLN 72 far 0 63 0 - 7.3-8.7 HG2 MET 1 - HG2 GLN 50 far 0 41 0 - 7.5-10.6 HG3 GLU 75 - HG2 GLN 72 far 0 99 0 - 7.5-9.3 HB2 GLU 69 - HG2 GLN 72 far 0 63 0 - 7.7-8.3 HB3 GLU 75 - HG2 GLN 72 far 0 84 0 - 7.7-8.8 HG2 MET 1 - HG3 GLN 50 far 0 63 0 - 8.1-10.9 HB2 GLU 75 - HG3 GLN 50 far 0 76 0 - 9.8-14.2 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 2.9-3.0 3.0=100 HG2 MET 1 - HG2 GLN 50 far 0 38 0 - 7.5-10.6 HG2 MET 1 - HG3 GLN 50 far 0 59 0 - 8.1-10.9 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 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 3215 from cnoeabs.peaks (6.85, 2.42, 33.99 ppm; 5.65 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 72 + HG2 GLN 72 OK 100 100 100 100 3.8-4.1 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 6 assignments used, quality = 1.00: * HE22 GLN 72 + HG2 GLN 72 OK 100 100 100 100 3.0-3.6 3.5=100 H LYS 47 - HG2 GLN 50 far 0 46 0 - 7.6-11.4 H LYS 47 - HG3 GLN 50 far 0 70 0 - 7.7-11.4 HE ARG 46 - HG3 GLN 50 far 0 74 0 - 8.1-14.2 HE ARG 46 - HG2 GLN 50 far 0 49 0 - 8.8-14.3 HE ARG 46 - HG2 GLN 72 far 0 79 0 - 9.8-13.3 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 1 assignment used, quality = 1.00: * H LYS 73 + HG2 GLN 72 OK 100 100 100 100 4.8-5.0 7200=100, 7198/3.0=100...(8) 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 2.9-3.4 7175=100, 7173/3.0=79...(12) H GLU 69 - HG3 GLN 72 far 0 100 0 - 4.9-5.4 H ASP 65 - HG3 GLN 72 far 0 98 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 3219 from cnoeabs.peaks (4.15, 2.54, 33.99 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 72 + HG3 GLN 72 OK 100 100 100 100 2.7-3.2 3.9=100 HA LYS 73 - HG3 GLN 72 far 0 95 0 - 6.6-6.7 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 2.9-3.0 3.0=100 HG2 GLU 69 - HG3 GLN 72 far 0 63 0 - 5.8-7.4 HB3 GLU 69 - HG3 GLN 72 far 0 63 0 - 6.1-6.8 HB2 GLU 69 - HG3 GLN 72 far 0 63 0 - 6.2-6.8 HG2 GLU 75 - HG3 GLN 72 far 0 99 0 - 8.0-10.7 HB2 GLU 75 - HG3 GLN 72 far 0 81 0 - 8.6-9.9 HG3 GLU 75 - HG3 GLN 72 far 0 99 0 - 9.0-10.4 HB3 GLU 75 - HG3 GLN 72 far 0 84 0 - 9.2-10.1 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 2.2-2.5 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 3.4-3.7 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 2.1-2.7 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 4.7-5.0 7198/3.0=98, 7199/3.0=97...(7) H LYS 66 - HG3 GLN 72 far 0 59 0 - 9.4-9.8 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 2.8-2.8 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...(8) 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 12 assignments used, quality = 1.00: HB3 LYS 73 + HA LYS 73 OK 98 100 100 98 2.3-2.6 3.0=84, 2.9/3232=22...(22) * HB2 LYS 73 + HA LYS 73 OK 98 100 100 98 2.5-3.0 3.0=84, 7205/3.0=44...(20) HB2 LYS 47 + HA LYS 47 OK 53 54 100 98 2.4-2.5 3.0=80, 2134/2.9=31...(30) HB3 LYS 47 + HA LYS 47 OK 33 34 100 98 3.0-3.0 3.0=80, 6764/2.9=28...(30) HB2 ARG 46 - HA LYS 47 far 0 50 0 - 4.0-5.7 HB3 ARG 46 - HA LYS 47 far 0 57 0 - 4.0-5.1 HB3 MET 74 - HA GLN 72 far 0 57 0 - 5.2-5.5 HB3 MET 74 - HA LYS 73 far 0 100 0 - 5.6-5.9 HB2 LYS 73 - HA GLN 72 far 0 58 0 - 5.7-5.9 HB3 LYS 73 - HA GLN 72 far 0 58 0 - 6.6-6.6 HB2 ARG 46 - HA GLN 72 far 0 50 0 - 9.0-11.7 HB3 MET 74 - HA LYS 47 far 0 57 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 3230 from cnoeabs.peaks (1.96, 4.17, 57.87 ppm; 2.80 A): 4 out of 12 assignments used, quality = 1.00: * HB3 LYS 73 + HA LYS 73 OK 98 100 100 98 2.3-2.6 3.0=84, 2.9/3232=22...(22) HB2 LYS 73 + HA LYS 73 OK 98 100 100 98 2.5-3.0 3.0=84, 7206/3.0=44...(20) HB2 LYS 47 + HA LYS 47 OK 53 54 100 98 2.4-2.5 3.0=80, 2134/2.9=31...(30) HB3 LYS 47 + HA LYS 47 OK 34 35 100 98 3.0-3.0 3.0=80, 6764/2.9=28...(30) HB2 ARG 46 - HA LYS 47 far 0 49 0 - 4.0-5.7 HB3 ARG 46 - HA LYS 47 far 0 57 0 - 4.0-5.1 HB3 MET 74 - HA GLN 72 far 0 57 0 - 5.2-5.5 HB3 MET 74 - HA LYS 73 far 0 100 0 - 5.6-5.9 HB2 LYS 73 - HA GLN 72 far 0 58 0 - 5.7-5.9 HB3 LYS 73 - HA GLN 72 far 0 58 0 - 6.6-6.6 HB2 ARG 46 - HA GLN 72 far 0 50 0 - 9.0-11.7 HB3 MET 74 - HA LYS 47 far 0 57 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 3231 from cnoeabs.peaks (1.49, 4.17, 57.87 ppm; 3.74 A increased from 3.32 A): 2 out of 5 assignments used, quality = 0.85: * HG2 LYS 73 + HA LYS 73 OK 65 100 65 100 3.4-4.2 4.1=77, 7207/3.0=54...(46) HG2 LYS 47 + HA LYS 47 OK 57 57 100 100 2.8-3.9 3.9=88, 6772/2.9=56...(62) HG2 LYS 73 - HA GLN 72 far 0 58 0 - 5.8-6.8 HG13 ILE 52 - HA LYS 47 far 0 32 0 - 9.1-9.5 HG12 ILE 56 - HA GLN 72 far 0 27 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 3232 from cnoeabs.peaks (1.60, 4.17, 57.87 ppm; 3.68 A): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 73 + HA LYS 73 OK 100 100 100 100 2.2-3.6 4.1=74, 7208/3.0=60...(53) HG3 LYS 47 + HA LYS 47 OK 44 44 100 100 2.5-3.9 3.9=84, 6773/2.9=54...(65) HG3 LYS 73 - HA GLN 72 far 0 58 0 - 5.3-5.9 Violated in 0 structures by 0.00 A. Peak 3233 from cnoeabs.peaks (1.67, 4.17, 57.87 ppm; 4.43 A increased from 3.73 A): 4 out of 18 assignments used, quality = 1.00: HD3 LYS 73 + HA LYS 73 OK 100 100 100 100 3.1-4.7 5.1=65, 3.0/3272=49...(74) * HD2 LYS 73 + HA LYS 73 OK 70 100 70 100 3.8-5.0 5.1=65, 3.0/3272=49...(72) HD3 LYS 47 + HA LYS 47 OK 42 52 80 100 3.8-4.9 5.1=66, ~6773=38...(88) HD2 LYS 47 + HA LYS 47 OK 24 53 45 100 2.2-5.0 5.1=66, ~6773=38...(99) HB ILE 76 - HA GLN 72 far 0 45 0 - 4.9-5.0 HB ILE 52 - HA LYS 47 far 0 57 0 - 7.3-7.8 HD2 LYS 73 - HA GLN 72 far 0 58 0 - 7.4-8.3 HD3 LYS 73 - HA GLN 72 far 0 58 0 - 7.5-8.1 HD3 LYS 68 - HA GLN 72 far 0 51 0 - 7.5-9.5 HD2 LYS 68 - HA GLN 72 far 0 52 0 - 7.8-9.8 HG LEU 70 - HA LYS 73 far 0 75 0 - 7.8-8.5 HB ILE 76 - HA LYS 73 far 0 88 0 - 7.9-8.4 HG2 LYS 68 - HA GLN 72 far 0 43 0 - 8.2-8.6 HD2 LYS 39 - HA LYS 73 far 0 98 0 - 8.2-11.8 HD3 LYS 39 - HA LYS 73 far 0 84 0 - 8.4-10.5 HG LEU 70 - HA GLN 72 far 0 36 0 - 8.6-8.9 HB2 LEU 2 - HA LYS 47 far 0 33 0 - 9.5-10.5 HD2 LYS 39 - HA GLN 72 far 0 53 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 3234 from cnoeabs.peaks (1.67, 4.17, 57.87 ppm; 4.51 A increased from 3.61 A): 4 out of 18 assignments used, quality = 1.00: * HD3 LYS 73 + HA LYS 73 OK 100 100 100 100 3.1-4.7 5.1=68, 3.0/3272=51...(74) HD2 LYS 73 + HA LYS 73 OK 70 100 70 100 3.8-5.0 5.1=68, 3.0/3272=51...(72) HD3 LYS 47 + HA LYS 47 OK 41 51 80 100 3.8-4.9 5.1=69, ~6773=39...(88) HD2 LYS 47 + HA LYS 47 OK 23 52 45 100 2.2-5.0 5.1=69, ~6773=39...(99) HB ILE 76 - HA GLN 72 far 0 47 0 - 4.9-5.0 HB ILE 52 - HA LYS 47 far 0 57 0 - 7.3-7.8 HD2 LYS 73 - HA GLN 72 far 0 58 0 - 7.4-8.3 HD3 LYS 73 - HA GLN 72 far 0 58 0 - 7.5-8.1 HD3 LYS 68 - HA GLN 72 far 0 53 0 - 7.5-9.5 HD2 LYS 68 - HA GLN 72 far 0 53 0 - 7.8-9.8 HG LEU 70 - HA LYS 73 far 0 71 0 - 7.8-8.5 HB ILE 76 - HA LYS 73 far 0 91 0 - 7.9-8.4 HG2 LYS 68 - HA GLN 72 far 0 45 0 - 8.2-8.6 HD2 LYS 39 - HA LYS 73 far 0 99 0 - 8.2-11.8 HD3 LYS 39 - HA LYS 73 far 0 87 0 - 8.4-10.5 HG LEU 70 - HA GLN 72 far 0 34 0 - 8.6-8.9 HB2 LEU 2 - HA LYS 47 far 0 31 0 - 9.5-10.5 HD2 LYS 39 - HA GLN 72 far 0 55 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 3235 from cnoeabs.peaks (2.95, 4.17, 57.87 ppm; 5.24 A): 4 out of 8 assignments used, quality = 0.97: * HE2 LYS 73 + HA LYS 73 OK 85 100 85 100 3.2-5.9 4.0/3232=55, 6.7=48...(63) HE3 LYS 73 + HA LYS 73 OK 55 100 55 100 2.8-6.4 4.0/3232=55, 6.7=48...(64) HE3 LYS 47 + HA LYS 47 OK 40 45 90 100 2.3-6.1 6.3=58, 3.8/2169=39...(80) HE2 LYS 47 + HA LYS 47 OK 36 45 80 100 2.3-6.0 6.3=58, 3.8/2169=39...(79) HE3 LYS 73 - HA GLN 72 far 0 57 0 - 6.9-9.6 HE2 LYS 73 - HA GLN 72 far 0 58 0 - 7.4-9.5 HB2 PHE 45 - HA LYS 47 far 0 35 0 - 7.5-7.8 HB3 PHE 45 - HA LYS 47 far 0 51 0 - 7.6-8.0 Violated in 0 structures by 0.00 A. Peak 3236 from cnoeabs.peaks (2.95, 4.17, 57.87 ppm; 5.24 A): 4 out of 12 assignments used, quality = 0.97: HE2 LYS 73 + HA LYS 73 OK 85 100 85 100 3.2-5.9 4.0/3232=55, 6.7=48...(63) * HE3 LYS 73 + HA LYS 73 OK 55 100 55 100 2.8-6.4 4.0/3232=55, 6.7=48...(64) HE3 LYS 47 + HA LYS 47 OK 36 40 90 100 2.3-6.1 6.3=58, 3.8/2169=39...(80) HE2 LYS 47 + HA LYS 47 OK 32 40 80 100 2.3-6.0 6.3=58, 3.8/2169=39...(79) HE3 LYS 68 - HA GLN 72 far 0 29 0 - 6.9-10.3 HE3 LYS 73 - HA GLN 72 far 0 58 0 - 6.9-9.6 HE2 LYS 68 - HA GLN 72 far 0 31 0 - 7.2-10.7 HE2 LYS 73 - HA GLN 72 far 0 57 0 - 7.4-9.5 HB2 PHE 45 - HA LYS 47 far 0 30 0 - 7.5-7.8 HB3 PHE 45 - HA LYS 47 far 0 47 0 - 7.6-8.0 HE3 LYS 68 - HA LYS 73 far 0 61 0 - 9.8-12.6 HE2 LYS 68 - HA LYS 73 far 0 65 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 3237 from cnoeabs.peaks (7.75, 4.17, 57.87 ppm; 3.86 A): 3 out of 4 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 45 58 80 97 3.7-4.3 7213/3.6=61...(9) H SER 49 + HA LYS 47 OK 27 47 95 61 3.6-6.0 6795/3.6=52, 9076/2.9=19 H VAL 78 - HA GLN 72 far 0 56 0 - 5.5-6.0 Violated in 0 structures by 0.00 A. Peak 3238 from cnoeabs.peaks (7.84, 1.96, 32.28 ppm; 3.13 A): 1 out of 6 assignments used, quality = 1.00: * H LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.3-2.6 7205=100, 7208/2.9=44...(25) H LYS 73 - HB3 LYS 73 far 0 100 0 - 3.5-3.6 H ASN 26 - HB3 LYS 24 far 0 91 0 - 4.8-5.5 H ASN 26 - HB2 LYS 24 far 0 91 0 - 4.8-5.2 H LEU 3 - HB2 MET 1 far 0 57 0 - 5.6-6.5 H ASN 26 - HB3 LYS 20 far 0 75 0 - 9.1-10.2 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 12 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 2.3-2.6 3.0=100 HA LYS 47 + HB2 LYS 47 OK 69 69 100 100 2.4-2.5 3.0=100 HA MET 1 + HB2 MET 1 OK 53 53 100 100 3.0-3.0 3.0=100 HA GLU 23 - HB2 LYS 24 far 0 72 0 - 5.6-5.8 HA GLN 72 - HB2 LYS 73 far 0 95 0 - 5.7-5.9 HA GLU 23 - HB3 LYS 24 far 0 72 0 - 5.9-6.6 HA GLN 72 - HB3 LYS 73 far 0 95 0 - 6.6-6.6 HA GLU 23 - HB3 LYS 20 far 0 57 0 - 7.4-8.3 HA GLU 98 - HB2 MET 1 far 0 51 0 - 8.6-10.3 HA LYS 13 - HB3 LYS 20 far 0 66 0 - 8.6-10.5 HA GLU 98 - HB3 LYS 24 far 0 83 0 - 9.8-13.2 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 22 assignments used, quality = 1.00: * HG2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.2-2.3 2.9=100 HG2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.7-3.0 2.9=100 HG2 LYS 47 + HB2 LYS 47 OK 92 92 100 100 2.4-3.0 3.0=100 HG3 LYS 24 + HB2 LYS 24 OK 83 83 100 100 2.2-3.0 2.9=100 HG3 LYS 24 + HB3 LYS 24 OK 83 83 100 100 2.5-3.0 2.9=100 HG2 LYS 20 + HB3 LYS 20 OK 43 43 100 100 2.4-3.0 3.0=100 HG LEU 2 - HB2 MET 1 far 0 45 0 - 5.1-6.0 HG3 LYS 24 - HB3 LYS 20 far 0 67 0 - 5.3-8.7 HB3 LEU 103 - HB2 MET 1 far 0 36 0 - 5.6-16.0 HG3 LYS 53 - HB2 MET 1 far 0 44 0 - 6.3-6.9 HG2 LYS 20 - HB2 LYS 24 far 0 56 0 - 6.4-8.2 HD2 LYS 53 - HB2 MET 1 far 0 34 0 - 6.7-7.5 HB2 LEU 27 - HB2 LYS 24 far 0 56 0 - 7.2-8.4 HG2 LYS 53 - HB2 MET 1 far 0 39 0 - 7.6-8.5 HG2 LYS 20 - HB3 LYS 24 far 0 56 0 - 7.7-9.7 HB2 LEU 27 - HB3 LYS 24 far 0 56 0 - 8.0-9.5 HG13 ILE 52 - HB2 MET 1 far 0 32 0 - 8.1-8.7 HG13 ILE 52 - HB2 LYS 47 far 0 57 0 - 8.8-9.5 HB2 LEU 38 - HB2 LYS 73 far 0 63 0 - 9.3-12.3 HG LEU 2 - HB2 LYS 47 far 0 77 0 - 9.6-10.7 HG LEU 38 - HB2 LYS 73 far 0 71 0 - 9.8-11.8 HB ILE 7 - HB3 LYS 20 far 0 50 0 - 9.9-12.0 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 25 assignments used, quality = 1.00: * HG3 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.7-3.0 2.9=100 HG3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.7-2.9 2.9=100 HG2 LYS 24 + HB3 LYS 24 OK 87 87 100 100 2.3-3.0 2.9=100 HG2 LYS 24 + HB2 LYS 24 OK 87 87 100 100 2.3-3.0 2.9=100 HG3 LYS 47 + HB2 LYS 47 OK 75 75 100 100 2.4-3.0 3.0=97, 6773/4.0=24...(80) HG LEU 103 - HB2 MET 1 far 0 51 0 - 4.4-15.9 HG3 LYS 90 - HB3 LYS 20 far 0 69 0 - 4.5-6.9 HG2 LYS 24 - HB3 LYS 20 far 0 71 0 - 4.5-9.3 HD2 LYS 94 - HB2 LYS 24 far 0 71 0 - 6.0-8.7 HD2 LYS 94 - HB3 LYS 24 far 0 71 0 - 6.1-8.5 HG2 ARG 19 - HB3 LYS 20 far 0 70 0 - 6.2-8.0 HB2 LEU 103 - HB2 MET 1 far 0 53 0 - 6.8-15.8 HG3 LYS 90 - HB2 LYS 24 far 0 85 0 - 7.1-7.8 HG LEU 27 - HB2 LYS 24 far 0 91 0 - 7.1-8.0 HG LEU 27 - HB3 LYS 24 far 0 91 0 - 7.2-8.5 HD3 LYS 94 - HB3 LYS 24 far 0 91 0 - 7.3-10.1 HD3 LYS 94 - HB2 LYS 24 far 0 91 0 - 7.4-10.5 HG3 LYS 90 - HB3 LYS 24 far 0 85 0 - 8.1-9.1 HD2 LYS 66 - HB2 LYS 73 far 0 100 0 - 8.5-10.9 HB3 LEU 29 - HB3 LYS 20 far 0 75 0 - 8.5-9.3 HB3 LEU 29 - HB2 LYS 24 far 0 91 0 - 9.1-9.5 HG LEU 27 - HB2 MET 1 far 0 58 0 - 9.3-10.5 HD2 LYS 66 - HB3 LYS 73 far 0 100 0 - 9.4-11.8 HD2 LYS 94 - HB3 LYS 20 far 0 56 0 - 9.8-11.5 HB3 LEU 29 - HB3 LYS 24 far 0 91 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 3244 from cnoeabs.peaks (1.67, 1.96, 32.28 ppm; 2.76 A): 11 out of 44 assignments used, quality = 1.00: HD3 LYS 73 + HB3 LYS 73 OK 73 100 75 97 2.0-3.6 3.6=45, 3298/2.9=17...(113) HG3 LYS 20 + HB3 LYS 20 OK 70 73 100 95 2.2-2.7 3.0=81, 893/4.0=21...(31) HD2 LYS 24 + HB2 LYS 24 OK 55 68 85 96 2.1-3.7 3.6=46, 8564/958=10...(86) HD2 LYS 73 + HB3 LYS 73 OK 44 100 45 97 2.1-3.5 3.6=45, 3298/2.9=17...(106) HD3 LYS 20 + HB3 LYS 20 OK 42 73 65 88 2.0-3.9 3.5=48, ~848=10, ~883=10...(44) HD2 LYS 47 + HB2 LYS 47 OK 39 87 45 98 2.2-3.8 3.9=34, 2195/3.0=13...(108) HD3 LYS 47 + HB2 LYS 47 OK 34 87 40 97 2.7-3.7 3.9=34, 3267/3.0=10...(100) HD3 LYS 24 + HB3 LYS 24 OK 32 66 50 97 2.2-4.1 3.6=46, ~1096=10...(95) HD2 LYS 24 + HB3 LYS 24 OK 29 68 45 96 2.3-3.9 3.6=46, ~1096=10...(91) HD3 LYS 24 + HB2 LYS 24 OK 25 66 40 96 2.1-4.2 3.6=46, 1.8/1120=12...(88) HD3 LYS 73 + HB2 LYS 73 OK 25 100 25 98 2.9-4.0 3.6=45, 3298/2.9=17...(122) HD2 LYS 20 - HB3 LYS 20 poor 20 72 30 91 2.4-4.2 3.5=48, ~848=10, ~883=10...(55) ! HD2 LYS 73 - HB2 LYS 73 far 5 100 5 - 3.0-4.2 HD3 LYS 24 - HB3 LYS 20 far 0 52 0 - 3.5-9.0 HD2 LYS 24 - HB3 LYS 20 far 0 53 0 - 4.4-7.6 HG LEU 70 - HB2 LYS 73 far 0 75 0 - 5.2-6.4 HD2 LYS 39 - HB2 LYS 73 far 0 98 0 - 5.3-10.6 HG3 LYS 20 - HB2 LYS 24 far 0 89 0 - 5.4-8.4 HD3 LYS 39 - HB2 LYS 73 far 0 84 0 - 5.6-9.5 HD2 LYS 39 - HB3 LYS 73 far 0 98 0 - 6.1-10.4 HD3 LYS 90 - HB3 LYS 20 far 0 52 0 - 6.2-8.9 HB2 LEU 2 - HB2 MET 1 far 0 33 0 - 6.3-6.7 HD3 LYS 39 - HB3 LYS 73 far 0 84 0 - 6.3-9.1 HG LEU 70 - HB3 LYS 73 far 0 75 0 - 6.5-7.6 HG3 LYS 20 - HB3 LYS 24 far 0 89 0 - 6.7-10.1 HD3 LYS 20 - HB2 LYS 24 far 0 89 0 - 7.3-9.9 HB3 LYS 53 - HB2 MET 1 far 0 50 0 - 7.4-8.3 HB ILE 76 - HB2 LYS 73 far 0 88 0 - 7.5-9.0 HB ILE 52 - HB2 LYS 47 far 0 92 0 - 7.6-8.0 HD2 LYS 20 - HB2 LYS 24 far 0 88 0 - 8.1-9.8 HD3 LYS 66 - HB2 LYS 73 far 0 70 0 - 8.3-9.6 HB ILE 52 - HB2 MET 1 far 0 57 0 - 8.5-9.3 HB ILE 76 - HB3 LYS 73 far 0 88 0 - 8.8-9.5 HG2 LYS 68 - HB2 LYS 73 far 0 85 0 - 8.8-10.1 HD3 LYS 20 - HB3 LYS 24 far 0 89 0 - 9.0-11.2 HD2 LYS 20 - HB3 LYS 24 far 0 88 0 - 9.1-11.3 HD3 LYS 13 - HB3 LYS 20 far 0 43 0 - 9.1-12.9 HD2 LYS 13 - HB3 LYS 20 far 0 46 0 - 9.2-14.4 HD3 LYS 66 - HB3 LYS 73 far 0 69 0 - 9.3-10.6 HB2 LEU 2 - HB2 LYS 47 far 0 59 0 - 9.4-10.4 HD3 LYS 90 - HB2 LYS 24 far 0 66 0 - 9.4-10.6 HD3 LYS 68 - HB2 LYS 73 far 0 96 0 - 9.5-12.0 HG2 PRO 86 - HB3 LYS 20 far 0 57 0 - 9.8-12.5 HD2 LYS 68 - HB2 LYS 73 far 0 96 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 3245 from cnoeabs.peaks (1.67, 1.96, 32.28 ppm; 2.85 A): 11 out of 44 assignments used, quality = 1.00: HD3 LYS 73 + HB3 LYS 73 OK 74 100 75 98 2.0-3.6 3.6=50, 3298/2.9=19...(114) HG3 LYS 20 + HB3 LYS 20 OK 71 72 100 98 2.2-2.7 3.0=90, 893/4.0=22...(33) HD2 LYS 24 + HB2 LYS 24 OK 53 64 85 97 2.1-3.7 3.6=51, ~1096=11...(91) HD3 LYS 20 + HB3 LYS 20 OK 46 72 70 90 2.0-3.9 3.5=52, ~848=12, ~883=12...(45) HD2 LYS 73 + HB3 LYS 73 OK 44 100 45 98 2.1-3.5 3.6=50, 3298/2.9=18...(110) HD3 LYS 47 + HB2 LYS 47 OK 42 85 50 98 2.7-3.7 3.9=37, 3267/3.0=10...(110) HD2 LYS 47 + HB2 LYS 47 OK 38 86 45 99 2.2-3.8 3.9=37, 2195/3.0=14...(118) HD2 LYS 24 + HB3 LYS 24 OK 38 64 60 97 2.3-3.9 3.6=51, ~1096=11...(94) HD3 LYS 24 + HB3 LYS 24 OK 37 63 60 98 2.2-4.1 3.6=51, ~1096=11...(97) HD3 LYS 24 + HB2 LYS 24 OK 34 63 55 98 2.1-4.2 3.6=51, 1.8/1119=13...(92) * HD3 LYS 73 + HB2 LYS 73 OK 25 100 25 99 2.9-4.0 3.6=50, 3298/2.9=19...(126) HD2 LYS 20 - HB3 LYS 20 poor 20 71 30 93 2.4-4.2 3.5=52, ~848=12, ~883=12...(55) HD2 LYS 73 - HB2 LYS 73 far 15 100 15 - 3.0-4.2 HD3 LYS 24 - HB3 LYS 20 far 0 49 0 - 3.5-9.0 HD2 LYS 24 - HB3 LYS 20 far 0 50 0 - 4.4-7.6 HG LEU 70 - HB2 LYS 73 far 0 71 0 - 5.2-6.4 HD2 LYS 39 - HB2 LYS 73 far 0 99 0 - 5.3-10.6 HG3 LYS 20 - HB2 LYS 24 far 0 89 0 - 5.4-8.4 HD3 LYS 39 - HB2 LYS 73 far 0 87 0 - 5.6-9.5 HD2 LYS 39 - HB3 LYS 73 far 0 98 0 - 6.1-10.4 HD3 LYS 90 - HB3 LYS 20 far 0 49 0 - 6.2-8.9 HB2 LEU 2 - HB2 MET 1 far 0 31 0 - 6.3-6.7 HD3 LYS 39 - HB3 LYS 73 far 0 87 0 - 6.3-9.1 HG LEU 70 - HB3 LYS 73 far 0 71 0 - 6.5-7.6 HG3 LYS 20 - HB3 LYS 24 far 0 89 0 - 6.7-10.1 HD3 LYS 20 - HB2 LYS 24 far 0 89 0 - 7.3-9.9 HB3 LYS 53 - HB2 MET 1 far 0 48 0 - 7.4-8.3 HB ILE 76 - HB2 LYS 73 far 0 91 0 - 7.5-9.0 HB ILE 52 - HB2 LYS 47 far 0 91 0 - 7.6-8.0 HD2 LYS 20 - HB2 LYS 24 far 0 87 0 - 8.1-9.8 HD3 LYS 66 - HB2 LYS 73 far 0 65 0 - 8.3-9.6 HB ILE 52 - HB2 MET 1 far 0 57 0 - 8.5-9.3 HB ILE 76 - HB3 LYS 73 far 0 91 0 - 8.8-9.5 HG2 LYS 68 - HB2 LYS 73 far 0 88 0 - 8.8-10.1 HD3 LYS 20 - HB3 LYS 24 far 0 89 0 - 9.0-11.2 HD2 LYS 20 - HB3 LYS 24 far 0 87 0 - 9.1-11.3 HD3 LYS 13 - HB3 LYS 20 far 0 40 0 - 9.1-12.9 HD2 LYS 13 - HB3 LYS 20 far 0 43 0 - 9.2-14.4 HD3 LYS 66 - HB3 LYS 73 far 0 65 0 - 9.3-10.6 HB2 LEU 2 - HB2 LYS 47 far 0 55 0 - 9.4-10.4 HD3 LYS 90 - HB2 LYS 24 far 0 63 0 - 9.4-10.6 HD3 LYS 68 - HB2 LYS 73 far 0 97 0 - 9.5-12.0 HG2 PRO 86 - HB3 LYS 20 far 0 55 0 - 9.8-12.5 HD2 LYS 68 - HB2 LYS 73 far 0 98 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 3246 from cnoeabs.peaks (2.95, 1.96, 32.28 ppm; 3.93 A): 12 out of 32 assignments used, quality = 1.00: HE2 LYS 73 + HB3 LYS 73 OK 90 100 90 100 2.5-4.3 4.9=52, 3236/3.0=15...(105) HE3 LYS 73 + HB3 LYS 73 OK 85 100 85 100 2.4-4.5 4.9=52, 1.8/3306=15...(111) HE3 LYS 47 + HB2 LYS 47 OK 73 77 95 100 2.0-4.7 4.9=52, 2215/1.8=20...(112) HE2 LYS 47 + HB2 LYS 47 OK 65 77 85 100 2.0-4.6 4.9=52, 1.8/1142=18...(124) * HE2 LYS 73 + HB2 LYS 73 OK 55 100 55 100 2.3-5.3 4.9=52, 7.0/7205=18...(125) HE3 LYS 73 + HB2 LYS 73 OK 55 100 55 100 2.7-5.1 4.9=52, 7.0/7205=18...(126) HE3 LYS 24 + HB3 LYS 24 OK 31 87 35 100 2.2-5.5 4.9=50, ~12306=38...(101) HE2 LYS 24 + HB2 LYS 24 OK 31 87 35 100 3.1-5.1 4.9=50, 12306/3.0=41...(104) HE2 LYS 20 + HB3 LYS 20 OK 27 37 75 98 2.1-4.7 4.7=57, 1.8/929=16...(57) HE3 LYS 20 + HB3 LYS 20 OK 27 39 70 98 2.0-4.5 4.7=57, 1.8/929=13...(73) HE3 LYS 24 + HB2 LYS 24 OK 26 87 30 100 2.4-5.0 4.9=50, ~12306=38...(103) HE2 LYS 24 + HB3 LYS 24 OK 22 87 25 100 2.6-4.8 4.9=50, 12306/3.0=41...(100) HE2 LYS 24 - HB3 LYS 20 far 0 71 0 - 4.4-9.6 HE3 LYS 24 - HB3 LYS 20 far 0 71 0 - 4.6-9.9 HG2 MET 21 - HB3 LYS 20 far 0 71 0 - 5.0-6.8 HB2 ASN 51 - HB2 MET 1 far 0 57 0 - 5.1-5.6 HE3 LYS 90 - HB3 LYS 20 far 0 68 0 - 5.2-7.6 HG2 MET 21 - HB2 LYS 24 far 0 87 0 - 5.5-6.1 HG2 MET 21 - HB3 LYS 24 far 0 87 0 - 6.0-7.4 HE3 LYS 20 - HB2 LYS 24 far 0 50 0 - 6.6-10.7 HE2 LYS 94 - HB3 LYS 24 far 0 63 0 - 6.6-10.6 HE2 LYS 20 - HB2 LYS 24 far 0 48 0 - 7.4-11.2 HE2 LYS 94 - HB2 LYS 24 far 0 63 0 - 7.7-10.8 HE2 LYS 20 - HB3 LYS 24 far 0 48 0 - 7.9-12.2 HB3 PHE 45 - HB2 LYS 47 far 0 85 0 - 8.0-8.6 HE3 LYS 20 - HB3 LYS 24 far 0 50 0 - 8.0-11.9 HB2 PHE 45 - HB2 LYS 47 far 0 62 0 - 8.1-8.6 HE3 LYS 90 - HB2 LYS 24 far 0 84 0 - 8.4-9.8 HE3 LYS 90 - HB3 LYS 24 far 0 84 0 - 9.3-10.9 HE2 LYS 13 - HB3 LYS 20 far 0 72 0 - 9.4-14.2 HE3 LYS 13 - HB3 LYS 20 far 0 73 0 - 9.6-14.5 HE3 LYS 12 - HB3 LYS 20 far 0 69 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 3247 from cnoeabs.peaks (2.95, 1.96, 32.28 ppm; 3.93 A): 12 out of 35 assignments used, quality = 1.00: HE2 LYS 73 + HB3 LYS 73 OK 90 100 90 100 2.5-4.3 4.9=52, 3236/3.0=15...(105) HE3 LYS 73 + HB3 LYS 73 OK 85 100 85 100 2.4-4.5 4.9=52, 1.8/3306=15...(111) HE3 LYS 47 + HB2 LYS 47 OK 65 69 95 100 2.0-4.7 4.9=52, 564/1.8=19...(111) HE2 LYS 47 + HB2 LYS 47 OK 59 69 85 100 2.0-4.6 4.9=52, 1.8/1142=18...(124) * HE3 LYS 73 + HB2 LYS 73 OK 55 100 55 100 2.7-5.1 4.9=52, 7.0/7205=18...(126) HE2 LYS 73 + HB2 LYS 73 OK 55 100 55 100 2.3-5.3 4.9=52, 7.0/7205=18...(125) HE2 LYS 20 + HB3 LYS 20 OK 33 45 75 98 2.1-4.7 4.7=57, 1.8/929=16...(57) HE3 LYS 20 + HB3 LYS 20 OK 32 46 70 98 2.0-4.5 4.7=57, 1.8/929=13...(73) HE3 LYS 24 + HB3 LYS 24 OK 29 83 35 100 2.2-5.5 4.9=50, ~12306=38...(101) HE2 LYS 24 + HB2 LYS 24 OK 29 83 35 100 3.1-5.1 4.9=50, 12306/3.0=34...(104) HE3 LYS 24 + HB2 LYS 24 OK 25 83 30 100 2.4-5.0 4.9=50, ~12306=38...(103) HE2 LYS 24 + HB3 LYS 24 OK 21 83 25 100 2.6-4.8 4.9=50, 12306/3.0=34...(100) HE2 LYS 24 - HB3 LYS 20 far 0 67 0 - 4.4-9.6 HE3 LYS 24 - HB3 LYS 20 far 0 67 0 - 4.6-9.9 HG2 MET 21 - HB3 LYS 20 far 0 74 0 - 5.0-6.8 HB2 ASN 51 - HB2 MET 1 far 0 58 0 - 5.1-5.6 HE3 LYS 94 - HB3 LYS 24 far 0 56 0 - 5.2-11.0 HE3 LYS 90 - HB3 LYS 20 far 0 72 0 - 5.2-7.6 HG2 MET 21 - HB2 LYS 24 far 0 90 0 - 5.5-6.1 HG2 MET 21 - HB3 LYS 24 far 0 90 0 - 6.0-7.4 HE3 LYS 94 - HB2 LYS 24 far 0 56 0 - 6.5-11.1 HE3 LYS 20 - HB2 LYS 24 far 0 59 0 - 6.6-10.7 HE2 LYS 94 - HB3 LYS 24 far 0 71 0 - 6.6-10.6 HE2 LYS 20 - HB2 LYS 24 far 0 57 0 - 7.4-11.2 HE2 LYS 94 - HB2 LYS 24 far 0 71 0 - 7.7-10.8 HE2 LYS 20 - HB3 LYS 24 far 0 57 0 - 7.9-12.2 HB3 PHE 45 - HB2 LYS 47 far 0 79 0 - 8.0-8.6 HE3 LYS 20 - HB3 LYS 24 far 0 59 0 - 8.0-11.9 HB2 PHE 45 - HB2 LYS 47 far 0 53 0 - 8.1-8.6 HE3 LYS 90 - HB2 LYS 24 far 0 88 0 - 8.4-9.8 HE3 LYS 68 - HB2 LYS 73 far 0 61 0 - 9.1-12.1 HE3 LYS 90 - HB3 LYS 24 far 0 88 0 - 9.3-10.9 HE2 LYS 13 - HB3 LYS 20 far 0 69 0 - 9.4-14.2 HE3 LYS 13 - HB3 LYS 20 far 0 71 0 - 9.6-14.5 HE3 LYS 12 - HB3 LYS 20 far 0 64 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 3248 from cnoeabs.peaks (7.75, 1.96, 32.28 ppm; 3.41 A): 3 out of 6 assignments used, quality = 0.87: * H MET 74 + HB2 LYS 73 OK 62 100 65 96 2.7-4.1 7213/7205=60, 4.6=40...(12) H ALA 25 + HB2 LYS 24 OK 50 54 100 92 2.8-3.5 4.4=48, 6391/6383=32...(15) H ALA 25 + HB3 LYS 24 OK 30 54 60 93 3.0-4.2 4.4=48, 6400/1.8=30...(13) H MET 74 - HB3 LYS 73 far 5 100 5 - 3.7-4.3 H SER 49 - HB2 LYS 47 far 0 79 0 - 5.1-6.6 H ALA 25 - HB3 LYS 20 far 0 42 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. Peak 3249 from cnoeabs.peaks (7.84, 1.96, 32.28 ppm; 3.13 A): 1 out of 6 assignments used, quality = 1.00: H LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.3-2.6 7206=100, 7208/2.9=44...(25) ! H LYS 73 - HB3 LYS 73 far 0 100 0 - 3.5-3.6 H ASN 26 - HB3 LYS 24 far 0 90 0 - 4.8-5.5 H ASN 26 - HB2 LYS 24 far 0 90 0 - 4.8-5.2 H LEU 3 - HB2 MET 1 far 0 59 0 - 5.6-6.5 H ASN 26 - HB3 LYS 20 far 0 77 0 - 9.1-10.2 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 12 assignments used, quality = 1.00: * HA LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.3-2.6 3.0=100 HA LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.5-3.0 3.0=100 HA LYS 47 + HB2 LYS 47 OK 68 68 100 100 2.4-2.5 3.0=100 HA MET 1 + HB2 MET 1 OK 54 54 100 100 3.0-3.0 3.0=100 HA GLU 23 - HB2 LYS 24 far 0 72 0 - 5.6-5.8 HA GLN 72 - HB2 LYS 73 far 0 95 0 - 5.7-5.9 HA GLU 23 - HB3 LYS 24 far 0 72 0 - 5.9-6.6 HA GLN 72 - HB3 LYS 73 far 0 95 0 - 6.6-6.6 HA GLU 23 - HB3 LYS 20 far 0 59 0 - 7.4-8.3 HA GLU 98 - HB2 MET 1 far 0 53 0 - 8.6-10.3 HA LYS 13 - HB3 LYS 20 far 0 69 0 - 8.6-10.5 HA GLU 98 - HB3 LYS 24 far 0 83 0 - 9.8-13.2 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 22 assignments used, quality = 1.00: HG2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.2-2.3 2.9=100 * HG2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.7-3.0 2.9=100 HG2 LYS 47 + HB2 LYS 47 OK 91 91 100 100 2.4-3.0 3.0=100 HG3 LYS 24 + HB2 LYS 24 OK 83 83 100 100 2.2-3.0 2.9=100 HG3 LYS 24 + HB3 LYS 24 OK 83 83 100 100 2.5-3.0 2.9=100 HG2 LYS 20 + HB3 LYS 20 OK 45 45 100 100 2.4-3.0 3.0=100 HG LEU 2 - HB2 MET 1 far 0 46 0 - 5.1-6.0 HG3 LYS 24 - HB3 LYS 20 far 0 70 0 - 5.3-8.7 HB3 LEU 103 - HB2 MET 1 far 0 37 0 - 5.6-16.0 HG3 LYS 53 - HB2 MET 1 far 0 45 0 - 6.3-6.9 HG2 LYS 20 - HB2 LYS 24 far 0 55 0 - 6.4-8.2 HD2 LYS 53 - HB2 MET 1 far 0 35 0 - 6.7-7.5 HB2 LEU 27 - HB2 LYS 24 far 0 55 0 - 7.2-8.4 HG2 LYS 53 - HB2 MET 1 far 0 40 0 - 7.6-8.5 HG2 LYS 20 - HB3 LYS 24 far 0 55 0 - 7.7-9.7 HB2 LEU 27 - HB3 LYS 24 far 0 55 0 - 8.0-9.5 HG13 ILE 52 - HB2 MET 1 far 0 33 0 - 8.1-8.7 HG13 ILE 52 - HB2 LYS 47 far 0 56 0 - 8.8-9.5 HB2 LEU 38 - HB2 LYS 73 far 0 63 0 - 9.3-12.3 HG LEU 2 - HB2 LYS 47 far 0 75 0 - 9.6-10.7 HG LEU 38 - HB2 LYS 73 far 0 71 0 - 9.8-11.8 HB ILE 7 - HB3 LYS 20 far 0 52 0 - 9.9-12.0 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 25 assignments used, quality = 1.00: * HG3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.7-2.9 2.9=100 HG3 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.7-3.0 2.9=100 HG2 LYS 24 + HB3 LYS 24 OK 86 86 100 100 2.3-3.0 2.9=100 HG2 LYS 24 + HB2 LYS 24 OK 86 86 100 100 2.3-3.0 2.9=100 HG3 LYS 47 + HB2 LYS 47 OK 74 74 100 100 2.4-3.0 3.0=97, 6773/4.0=24...(80) HG LEU 103 - HB2 MET 1 far 0 53 0 - 4.4-15.9 HG3 LYS 90 - HB3 LYS 20 far 0 71 0 - 4.5-6.9 HG2 LYS 24 - HB3 LYS 20 far 0 73 0 - 4.5-9.3 HD2 LYS 94 - HB2 LYS 24 far 0 70 0 - 6.0-8.7 HD2 LYS 94 - HB3 LYS 24 far 0 70 0 - 6.1-8.5 HG2 ARG 19 - HB3 LYS 20 far 0 72 0 - 6.2-8.0 HB2 LEU 103 - HB2 MET 1 far 0 55 0 - 6.8-15.8 HG3 LYS 90 - HB2 LYS 24 far 0 85 0 - 7.1-7.8 HG LEU 27 - HB2 LYS 24 far 0 90 0 - 7.1-8.0 HG LEU 27 - HB3 LYS 24 far 0 90 0 - 7.2-8.5 HD3 LYS 94 - HB3 LYS 24 far 0 90 0 - 7.3-10.1 HD3 LYS 94 - HB2 LYS 24 far 0 90 0 - 7.4-10.5 HG3 LYS 90 - HB3 LYS 24 far 0 85 0 - 8.1-9.1 HD2 LYS 66 - HB2 LYS 73 far 0 100 0 - 8.5-10.9 HB3 LEU 29 - HB3 LYS 20 far 0 77 0 - 8.5-9.3 HB3 LEU 29 - HB2 LYS 24 far 0 90 0 - 9.1-9.5 HG LEU 27 - HB2 MET 1 far 0 59 0 - 9.3-10.5 HD2 LYS 66 - HB3 LYS 73 far 0 100 0 - 9.4-11.8 HD2 LYS 94 - HB3 LYS 20 far 0 58 0 - 9.8-11.5 HB3 LEU 29 - HB3 LYS 24 far 0 90 0 - 9.8-10.9 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 44 assignments used, quality = 1.00: HD3 LYS 73 + HB3 LYS 73 OK 73 100 75 97 2.0-3.6 3.6=45, 3298/2.9=17...(113) HG3 LYS 20 + HB3 LYS 20 OK 72 76 100 95 2.2-2.7 3.0=81, 893/4.0=21...(31) HD2 LYS 24 + HB2 LYS 24 OK 55 67 85 96 2.1-3.7 3.6=46, 8564/958=10...(86) * HD2 LYS 73 + HB3 LYS 73 OK 44 100 45 97 2.1-3.5 3.6=45, 3298/2.9=17...(106) HD3 LYS 20 + HB3 LYS 20 OK 43 76 65 88 2.0-3.9 3.5=48, ~848=10, ~883=10...(44) HD2 LYS 47 + HB2 LYS 47 OK 38 86 45 98 2.2-3.8 3.9=34, 2195/3.0=13...(108) HD3 LYS 47 + HB2 LYS 47 OK 33 85 40 97 2.7-3.7 3.9=34, 3267/3.0=10...(100) HD3 LYS 24 + HB3 LYS 24 OK 32 65 50 97 2.2-4.1 3.6=46, ~1096=10...(95) HD2 LYS 24 + HB3 LYS 24 OK 29 67 45 96 2.3-3.9 3.6=46, ~1096=10...(91) HD3 LYS 24 + HB2 LYS 24 OK 25 65 40 96 2.1-4.2 3.6=46, 1.8/1119=12...(88) HD3 LYS 73 + HB2 LYS 73 OK 25 100 25 98 2.9-4.0 3.6=45, 3298/2.9=17...(122) HD2 LYS 20 + HB3 LYS 20 OK 20 74 30 91 2.4-4.2 3.5=48, ~848=10, ~883=10...(55) HD2 LYS 73 - HB2 LYS 73 far 5 100 5 - 3.0-4.2 HD3 LYS 24 - HB3 LYS 20 far 0 54 0 - 3.5-9.0 HD2 LYS 24 - HB3 LYS 20 far 0 55 0 - 4.4-7.6 HG LEU 70 - HB2 LYS 73 far 0 75 0 - 5.2-6.4 HD2 LYS 39 - HB2 LYS 73 far 0 98 0 - 5.3-10.6 HG3 LYS 20 - HB2 LYS 24 far 0 89 0 - 5.4-8.4 HD3 LYS 39 - HB2 LYS 73 far 0 84 0 - 5.6-9.5 HD2 LYS 39 - HB3 LYS 73 far 0 98 0 - 6.1-10.4 HD3 LYS 90 - HB3 LYS 20 far 0 54 0 - 6.2-8.9 HB2 LEU 2 - HB2 MET 1 far 0 34 0 - 6.3-6.7 HD3 LYS 39 - HB3 LYS 73 far 0 84 0 - 6.3-9.1 HG LEU 70 - HB3 LYS 73 far 0 75 0 - 6.5-7.6 HG3 LYS 20 - HB3 LYS 24 far 0 89 0 - 6.7-10.1 HD3 LYS 20 - HB2 LYS 24 far 0 89 0 - 7.3-9.9 HB3 LYS 53 - HB2 MET 1 far 0 51 0 - 7.4-8.3 HB ILE 76 - HB2 LYS 73 far 0 88 0 - 7.5-9.0 HB ILE 52 - HB2 LYS 47 far 0 91 0 - 7.6-8.0 HD2 LYS 20 - HB2 LYS 24 far 0 87 0 - 8.1-9.8 HD3 LYS 66 - HB2 LYS 73 far 0 69 0 - 8.3-9.6 HB ILE 52 - HB2 MET 1 far 0 59 0 - 8.5-9.3 HB ILE 76 - HB3 LYS 73 far 0 88 0 - 8.8-9.5 HG2 LYS 68 - HB2 LYS 73 far 0 85 0 - 8.8-10.1 HD3 LYS 20 - HB3 LYS 24 far 0 89 0 - 9.0-11.2 HD2 LYS 20 - HB3 LYS 24 far 0 87 0 - 9.1-11.3 HD3 LYS 13 - HB3 LYS 20 far 0 45 0 - 9.1-12.9 HD2 LYS 13 - HB3 LYS 20 far 0 48 0 - 9.2-14.4 HD3 LYS 66 - HB3 LYS 73 far 0 70 0 - 9.3-10.6 HB2 LEU 2 - HB2 LYS 47 far 0 58 0 - 9.4-10.4 HD3 LYS 90 - HB2 LYS 24 far 0 65 0 - 9.4-10.6 HD3 LYS 68 - HB2 LYS 73 far 0 96 0 - 9.5-12.0 HG2 PRO 86 - HB3 LYS 20 far 0 59 0 - 9.8-12.5 HD2 LYS 68 - HB2 LYS 73 far 0 96 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 3256 from cnoeabs.peaks (1.67, 1.96, 32.28 ppm; 2.85 A): 12 out of 44 assignments used, quality = 1.00: * HD3 LYS 73 + HB3 LYS 73 OK 74 100 75 98 2.0-3.6 3.6=50, 3298/2.9=19...(114) HG3 LYS 20 + HB3 LYS 20 OK 73 75 100 98 2.2-2.7 3.0=90, 893/4.0=22...(33) HD2 LYS 24 + HB2 LYS 24 OK 53 64 85 97 2.1-3.7 3.6=51, ~1096=11...(91) HD3 LYS 20 + HB3 LYS 20 OK 47 75 70 90 2.0-3.9 3.5=52, ~848=12, ~883=12...(45) HD2 LYS 73 + HB3 LYS 73 OK 44 100 45 98 2.1-3.5 3.6=50, 3298/2.9=18...(110) HD3 LYS 47 + HB2 LYS 47 OK 41 84 50 98 2.7-3.7 3.9=37, 3267/3.0=10...(110) HD2 LYS 47 + HB2 LYS 47 OK 38 84 45 99 2.2-3.8 3.9=37, 2195/3.0=14...(118) HD2 LYS 24 + HB3 LYS 24 OK 37 64 60 97 2.3-3.9 3.6=51, ~1096=11...(94) HD3 LYS 24 + HB3 LYS 24 OK 36 62 60 98 2.2-4.1 3.6=51, ~1096=11...(97) HD3 LYS 24 + HB2 LYS 24 OK 33 62 55 98 2.1-4.2 3.6=51, 1.8/1119=13...(92) HD3 LYS 73 + HB2 LYS 73 OK 25 100 25 99 2.9-4.0 3.6=50, 3298/2.9=19...(126) HD2 LYS 20 + HB3 LYS 20 OK 20 73 30 93 2.4-4.2 3.5=52, ~848=12, ~883=12...(55) HD2 LYS 73 - HB2 LYS 73 far 15 100 15 - 3.0-4.2 HD3 LYS 24 - HB3 LYS 20 far 0 51 0 - 3.5-9.0 HD2 LYS 24 - HB3 LYS 20 far 0 52 0 - 4.4-7.6 HG LEU 70 - HB2 LYS 73 far 0 71 0 - 5.2-6.4 HD2 LYS 39 - HB2 LYS 73 far 0 98 0 - 5.3-10.6 HG3 LYS 20 - HB2 LYS 24 far 0 88 0 - 5.4-8.4 HD3 LYS 39 - HB2 LYS 73 far 0 87 0 - 5.6-9.5 HD2 LYS 39 - HB3 LYS 73 far 0 99 0 - 6.1-10.4 HD3 LYS 90 - HB3 LYS 20 far 0 51 0 - 6.2-8.9 HB2 LEU 2 - HB2 MET 1 far 0 32 0 - 6.3-6.7 HD3 LYS 39 - HB3 LYS 73 far 0 87 0 - 6.3-9.1 HG LEU 70 - HB3 LYS 73 far 0 71 0 - 6.5-7.6 HG3 LYS 20 - HB3 LYS 24 far 0 88 0 - 6.7-10.1 HD3 LYS 20 - HB2 LYS 24 far 0 88 0 - 7.3-9.9 HB3 LYS 53 - HB2 MET 1 far 0 49 0 - 7.4-8.3 HB ILE 76 - HB2 LYS 73 far 0 91 0 - 7.5-9.0 HB ILE 52 - HB2 LYS 47 far 0 90 0 - 7.6-8.0 HD2 LYS 20 - HB2 LYS 24 far 0 86 0 - 8.1-9.8 HD3 LYS 66 - HB2 LYS 73 far 0 65 0 - 8.3-9.6 HB ILE 52 - HB2 MET 1 far 0 58 0 - 8.5-9.3 HB ILE 76 - HB3 LYS 73 far 0 91 0 - 8.8-9.5 HG2 LYS 68 - HB2 LYS 73 far 0 88 0 - 8.8-10.1 HD3 LYS 20 - HB3 LYS 24 far 0 88 0 - 9.0-11.2 HD2 LYS 20 - HB3 LYS 24 far 0 86 0 - 9.1-11.3 HD3 LYS 13 - HB3 LYS 20 far 0 42 0 - 9.1-12.9 HD2 LYS 13 - HB3 LYS 20 far 0 45 0 - 9.2-14.4 HD3 LYS 66 - HB3 LYS 73 far 0 65 0 - 9.3-10.6 HB2 LEU 2 - HB2 LYS 47 far 0 54 0 - 9.4-10.4 HD3 LYS 90 - HB2 LYS 24 far 0 62 0 - 9.4-10.6 HD3 LYS 68 - HB2 LYS 73 far 0 97 0 - 9.5-12.0 HG2 PRO 86 - HB3 LYS 20 far 0 57 0 - 9.8-12.5 HD2 LYS 68 - HB2 LYS 73 far 0 98 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 3257 from cnoeabs.peaks (2.95, 1.96, 32.28 ppm; 3.93 A): 12 out of 32 assignments used, quality = 1.00: * HE2 LYS 73 + HB3 LYS 73 OK 90 100 90 100 2.5-4.3 4.9=52, 3236/3.0=15...(105) HE3 LYS 73 + HB3 LYS 73 OK 85 100 85 100 2.4-4.5 4.9=52, 1.8/3306=15...(111) HE3 LYS 47 + HB2 LYS 47 OK 72 75 95 100 2.0-4.7 4.9=52, 2215/1.8=20...(112) HE2 LYS 47 + HB2 LYS 47 OK 64 75 85 100 2.0-4.6 4.9=52, 1.8/1142=18...(124) HE2 LYS 73 + HB2 LYS 73 OK 55 100 55 100 2.3-5.3 4.9=52, 7.0/7206=18...(125) HE3 LYS 73 + HB2 LYS 73 OK 55 100 55 100 2.7-5.1 4.9=52, 7.0/7206=18...(126) HE3 LYS 24 + HB3 LYS 24 OK 30 87 35 100 2.2-5.5 4.9=50, ~12306=38...(101) HE2 LYS 24 + HB2 LYS 24 OK 30 87 35 100 3.1-5.1 4.9=50, 12306/3.0=41...(104) HE2 LYS 20 + HB3 LYS 20 OK 28 39 75 98 2.1-4.7 4.7=57, 1.8/929=16...(57) HE3 LYS 20 + HB3 LYS 20 OK 28 40 70 98 2.0-4.5 4.7=57, 1.8/929=14...(73) HE3 LYS 24 + HB2 LYS 24 OK 26 87 30 100 2.4-5.0 4.9=50, ~12306=38...(103) HE2 LYS 24 + HB3 LYS 24 OK 22 87 25 100 2.6-4.8 4.9=50, 12306/3.0=41...(100) HE2 LYS 24 - HB3 LYS 20 far 0 74 0 - 4.4-9.6 HE3 LYS 24 - HB3 LYS 20 far 0 74 0 - 4.6-9.9 HG2 MET 21 - HB3 LYS 20 far 0 74 0 - 5.0-6.8 HB2 ASN 51 - HB2 MET 1 far 0 58 0 - 5.1-5.6 HE3 LYS 90 - HB3 LYS 20 far 0 70 0 - 5.2-7.6 HG2 MET 21 - HB2 LYS 24 far 0 87 0 - 5.5-6.1 HG2 MET 21 - HB3 LYS 24 far 0 87 0 - 6.0-7.4 HE3 LYS 20 - HB2 LYS 24 far 0 50 0 - 6.6-10.7 HE2 LYS 94 - HB3 LYS 24 far 0 62 0 - 6.6-10.6 HE2 LYS 20 - HB2 LYS 24 far 0 48 0 - 7.4-11.2 HE2 LYS 94 - HB2 LYS 24 far 0 62 0 - 7.7-10.8 HE2 LYS 20 - HB3 LYS 24 far 0 48 0 - 7.9-12.2 HB3 PHE 45 - HB2 LYS 47 far 0 84 0 - 8.0-8.6 HE3 LYS 20 - HB3 LYS 24 far 0 50 0 - 8.0-11.9 HB2 PHE 45 - HB2 LYS 47 far 0 61 0 - 8.1-8.6 HE3 LYS 90 - HB2 LYS 24 far 0 84 0 - 8.4-9.8 HE3 LYS 90 - HB3 LYS 24 far 0 84 0 - 9.3-10.9 HE2 LYS 13 - HB3 LYS 20 far 0 75 0 - 9.4-14.2 HE3 LYS 13 - HB3 LYS 20 far 0 76 0 - 9.6-14.5 HE3 LYS 12 - HB3 LYS 20 far 0 71 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 3258 from cnoeabs.peaks (2.95, 1.96, 32.28 ppm; 3.93 A): 12 out of 35 assignments used, quality = 1.00: HE2 LYS 73 + HB3 LYS 73 OK 90 100 90 100 2.5-4.3 4.9=52, 3236/3.0=15...(105) * HE3 LYS 73 + HB3 LYS 73 OK 85 100 85 100 2.4-4.5 4.9=52, 1.8/3306=15...(111) HE3 LYS 47 + HB2 LYS 47 OK 64 68 95 100 2.0-4.7 4.9=52, 564/1.8=19...(111) HE2 LYS 47 + HB2 LYS 47 OK 58 68 85 100 2.0-4.6 4.9=52, 1.8/1142=18...(124) HE3 LYS 73 + HB2 LYS 73 OK 55 100 55 100 2.7-5.1 4.9=52, 7.0/7206=18...(126) HE2 LYS 73 + HB2 LYS 73 OK 55 100 55 100 2.3-5.3 4.9=52, 7.0/7206=18...(125) HE2 LYS 20 + HB3 LYS 20 OK 34 46 75 98 2.1-4.7 4.7=57, 1.8/929=16...(57) HE3 LYS 20 + HB3 LYS 20 OK 33 48 70 98 2.0-4.5 4.7=57, 1.8/929=14...(73) HE3 LYS 24 + HB3 LYS 24 OK 29 83 35 100 2.2-5.5 4.9=50, ~12306=38...(101) HE2 LYS 24 + HB2 LYS 24 OK 29 83 35 100 3.1-5.1 4.9=50, 12306/3.0=34...(104) HE3 LYS 24 + HB2 LYS 24 OK 25 83 30 100 2.4-5.0 4.9=50, ~12306=38...(103) HE2 LYS 24 + HB3 LYS 24 OK 21 83 25 100 2.6-4.8 4.9=50, 12306/3.0=34...(100) HE2 LYS 24 - HB3 LYS 20 far 0 70 0 - 4.4-9.6 HE3 LYS 24 - HB3 LYS 20 far 0 70 0 - 4.6-9.9 HG2 MET 21 - HB3 LYS 20 far 0 76 0 - 5.0-6.8 HB2 ASN 51 - HB2 MET 1 far 0 59 0 - 5.1-5.6 HE3 LYS 94 - HB3 LYS 24 far 0 55 0 - 5.2-11.0 HE3 LYS 90 - HB3 LYS 20 far 0 74 0 - 5.2-7.6 HG2 MET 21 - HB2 LYS 24 far 0 89 0 - 5.5-6.1 HG2 MET 21 - HB3 LYS 24 far 0 89 0 - 6.0-7.4 HE3 LYS 94 - HB2 LYS 24 far 0 55 0 - 6.5-11.1 HE3 LYS 20 - HB2 LYS 24 far 0 59 0 - 6.6-10.7 HE2 LYS 94 - HB3 LYS 24 far 0 70 0 - 6.6-10.6 HE2 LYS 20 - HB2 LYS 24 far 0 57 0 - 7.4-11.2 HE2 LYS 94 - HB2 LYS 24 far 0 70 0 - 7.7-10.8 HE2 LYS 20 - HB3 LYS 24 far 0 57 0 - 7.9-12.2 HB3 PHE 45 - HB2 LYS 47 far 0 78 0 - 8.0-8.6 HE3 LYS 20 - HB3 LYS 24 far 0 59 0 - 8.0-11.9 HB2 PHE 45 - HB2 LYS 47 far 0 52 0 - 8.1-8.6 HE3 LYS 90 - HB2 LYS 24 far 0 87 0 - 8.4-9.8 HE3 LYS 68 - HB2 LYS 73 far 0 61 0 - 9.1-12.1 HE3 LYS 90 - HB3 LYS 24 far 0 87 0 - 9.3-10.9 HE2 LYS 13 - HB3 LYS 20 far 0 71 0 - 9.4-14.2 HE3 LYS 13 - HB3 LYS 20 far 0 73 0 - 9.6-14.5 HE3 LYS 12 - HB3 LYS 20 far 0 67 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 3259 from cnoeabs.peaks (7.75, 1.96, 32.28 ppm; 3.41 A): 3 out of 6 assignments used, quality = 0.86: H MET 74 + HB2 LYS 73 OK 62 100 65 96 2.7-4.1 7213/7206=60, 4.6=40...(12) H ALA 25 + HB2 LYS 24 OK 49 53 100 92 2.8-3.5 4.4=48, 6391/6383=32...(15) H ALA 25 + HB3 LYS 24 OK 30 53 60 93 3.0-4.2 4.4=48, 6400/1.8=30...(13) ! H MET 74 - HB3 LYS 73 far 5 100 5 - 3.7-4.3 H SER 49 - HB2 LYS 47 far 0 78 0 - 5.1-6.6 H ALA 25 - HB3 LYS 20 far 0 43 0 - 7.5-8.4 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 7 assignments used, quality = 1.00: * H LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.4-3.4 7207=100, 7208/1.8=87...(28) H SER 9 - HG3 LYS 33 far 0 63 0 - 5.3-5.4 H ASN 26 - HG3 LYS 24 far 0 90 0 - 5.4-6.5 H LEU 3 - HG3 LYS 53 far 0 73 0 - 5.6-6.3 H LEU 3 - HG2 LYS 53 far 0 60 0 - 7.0-7.7 H LYS 66 - HG2 LYS 73 far 0 59 0 - 9.1-10.3 H TYR 41 - HG2 LYS 47 far 0 94 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 3261 from cnoeabs.peaks (4.17, 1.49, 25.00 ppm; 3.24 A): 3 out of 8 assignments used, quality = 0.99: HA LYS 13 + HG3 LYS 13 OK 94 94 100 100 2.5-3.3 486=83, 518/1.8=46...(42) HA LYS 47 + HG2 LYS 47 OK 64 81 80 99 2.8-3.9 3.9=57, 2.9/6772=42...(60) * HA LYS 73 + HG2 LYS 73 OK 45 100 45 99 3.4-4.2 4.1=50, 3.0/7207=41...(39) HA GLU 23 - HG3 LYS 24 far 0 72 0 - 5.4-7.3 HA GLN 72 - HG2 LYS 73 far 0 95 0 - 5.8-6.8 HA MET 1 - HG3 LYS 53 far 0 68 0 - 5.9-6.5 HA MET 1 - HG2 LYS 53 far 0 55 0 - 6.9-7.8 HA GLU 98 - HG3 LYS 53 far 0 66 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 3262 from cnoeabs.peaks (1.96, 1.49, 25.00 ppm; 2.77 A): 7 out of 21 assignments used, quality = 1.00: * HB2 LYS 73 + HG2 LYS 73 OK 99 100 100 99 2.2-2.3 2.9=84, 7205/7207=29...(62) HB3 LYS 73 + HG2 LYS 73 OK 98 100 100 98 2.7-3.0 2.9=84, 4.1/7207=21...(41) HB2 LYS 47 + HG2 LYS 47 OK 97 98 100 99 2.4-3.0 3.0=81, 2134/6772=23...(67) HB3 LYS 24 + HG3 LYS 24 OK 88 90 100 98 2.5-3.0 2.9=84, 3.0/1096=26...(61) HB2 LYS 24 + HG3 LYS 24 OK 88 90 100 98 2.2-3.0 2.9=84, 3.0/1096=26...(59) HB3 LYS 47 + HG2 LYS 47 OK 70 71 100 99 2.2-2.7 3.0=81, 3.0/2126=22...(75) QE MET 1 + HG3 LYS 53 OK 48 63 100 76 2.0-3.0 8027/3.0=23...(12) QE MET 1 - HG2 LYS 53 poor 10 51 20 - 2.9-3.9 HB3 ARG 46 - HG2 LYS 47 far 0 100 0 - 3.6-6.0 HB2 ARG 46 - HG2 LYS 47 far 0 95 0 - 4.3-6.9 HB3 MET 74 - HG2 LYS 73 far 0 100 0 - 5.2-7.0 HB3 LYS 20 - HG3 LYS 24 far 0 75 0 - 5.3-8.7 HB2 GLU 37 - HG3 LYS 33 far 0 78 0 - 5.3-5.8 HB VAL 32 - HG3 LYS 33 far 0 81 0 - 5.4-5.6 HB2 MET 1 - HG3 LYS 53 far 0 66 0 - 6.3-6.9 HB2 LYS 94 - HG3 LYS 24 far 0 55 0 - 7.1-10.9 HB2 MET 1 - HG2 LYS 53 far 0 53 0 - 7.6-8.5 HB3 ARG 19 - HG3 LYS 24 far 0 67 0 - 8.2-11.8 HB2 GLU 17 - HG3 LYS 13 far 0 95 0 - 8.9-10.1 HB2 GLU 17 - HG3 LYS 24 far 0 83 0 - 9.4-12.1 HB3 MET 74 - HG2 LYS 47 far 0 100 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 3263 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 2.2-2.3 2.9=84, 7206/7207=29...(62) * HB3 LYS 73 + HG2 LYS 73 OK 98 100 100 98 2.7-3.0 2.9=84, 4.1/7207=21...(41) HB2 LYS 47 + HG2 LYS 47 OK 97 98 100 99 2.4-3.0 3.0=81, 2134/6772=23...(67) HB3 LYS 24 + HG3 LYS 24 OK 88 89 100 98 2.5-3.0 2.9=84, 3.0/1096=26...(61) HB2 LYS 24 + HG3 LYS 24 OK 87 89 100 98 2.2-3.0 2.9=84, 3.0/1096=26...(59) HB3 LYS 47 + HG2 LYS 47 OK 72 73 100 99 2.2-2.7 3.0=81, 3.0/2126=22...(75) HB2 LYS 33 + HG3 LYS 33 OK 47 47 100 100 2.9-3.0 2.8=92, 3.0/1418=33...(41) QE MET 1 + HG3 LYS 53 OK 46 62 100 75 2.0-3.0 8027/3.0=23...(12) QE MET 1 - HG2 LYS 53 poor 10 50 20 - 2.9-3.9 HB3 ARG 46 - HG2 LYS 47 far 0 100 0 - 3.6-6.0 HB2 ARG 46 - HG2 LYS 47 far 0 94 0 - 4.3-6.9 HB3 MET 74 - HG2 LYS 73 far 0 100 0 - 5.2-7.0 HB3 LYS 20 - HG3 LYS 24 far 0 76 0 - 5.3-8.7 HB2 GLU 37 - HG3 LYS 33 far 0 76 0 - 5.3-5.8 HB VAL 32 - HG3 LYS 33 far 0 82 0 - 5.4-5.6 HB2 MET 1 - HG3 LYS 53 far 0 67 0 - 6.3-6.9 HB2 LYS 94 - HG3 LYS 24 far 0 57 0 - 7.1-10.9 HB2 MET 1 - HG2 LYS 53 far 0 54 0 - 7.6-8.5 HB3 ARG 19 - HG3 LYS 24 far 0 69 0 - 8.2-11.8 HB2 GLU 17 - HG3 LYS 13 far 0 95 0 - 8.9-10.1 HB2 GLU 17 - HG3 LYS 24 far 0 84 0 - 9.4-12.1 HB3 MET 74 - HG2 LYS 47 far 0 100 0 - 9.7-12.8 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 HD2 LYS 94 - HG3 LYS 24 far 0 70 0 - 4.6-10.5 HG3 LYS 12 - HG3 LYS 13 far 0 99 0 - 6.0-6.9 HD3 LYS 94 - HG3 LYS 24 far 0 90 0 - 6.1-12.1 HB2 ARG 79 - HG2 LYS 53 far 0 60 0 - 6.5-7.6 HG LEU 103 - HG2 LYS 53 far 0 53 0 - 6.7-13.9 HB2 ARG 79 - HG3 LYS 53 far 0 73 0 - 6.9-8.4 HB2 LEU 103 - HG2 LYS 53 far 0 56 0 - 7.0-14.3 HD2 LYS 66 - HG2 LYS 73 far 0 100 0 - 7.1-9.7 HB2 LEU 103 - HG3 LYS 53 far 0 68 0 - 7.4-13.5 HG LEU 27 - HG3 LYS 24 far 0 90 0 - 7.5-9.7 HG LEU 103 - HG3 LYS 53 far 0 66 0 - 7.7-13.9 HG3 LYS 90 - HG3 LYS 24 far 0 85 0 - 7.7-10.3 HB2 ARG 30 - HG3 LYS 33 far 0 89 0 - 8.2-8.5 HB3 LEU 29 - HG3 LYS 24 far 0 90 0 - 9.1-11.5 HG3 LYS 12 - HG3 LYS 33 far 0 89 0 - 9.4-10.9 HG2 ARG 19 - HG3 LYS 13 far 0 97 0 - 9.7-13.3 HG LEU 27 - HG3 LYS 53 far 0 73 0 - 9.8-11.0 HG2 ARG 19 - HG3 LYS 33 far 0 85 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 3266 from cnoeabs.peaks (1.67, 1.49, 25.00 ppm; 2.40 A): 9 out of 42 assignments used, quality = 1.00: HD3 LYS 47 + HG2 LYS 47 OK 87 97 100 90 2.3-2.6 3.0=53, 12091/12088=8...(55) HB3 LYS 53 + HG3 LYS 53 OK 58 64 100 91 2.2-2.4 3.0=53, 2451/3.0=24...(27) * HD2 LYS 73 + HG2 LYS 73 OK 58 100 65 89 2.3-3.0 3.0=54, 3298/1.8=19...(54) HD2 LYS 47 + HG2 LYS 47 OK 49 98 55 92 2.3-3.0 3.0=53, 2195/1.8=16...(66) HD3 LYS 73 + HG2 LYS 73 OK 49 100 55 89 2.4-3.0 3.0=54, 3298/1.8=20...(50) HD3 LYS 13 + HG3 LYS 13 OK 40 66 70 86 2.3-3.0 3.0=54, 1.8/555=9...(38) HD2 LYS 13 + HG3 LYS 13 OK 38 70 65 84 2.3-3.0 3.0=54, 1.8/555=9...(34) HD2 LYS 24 + HG3 LYS 24 OK 38 67 65 87 2.3-3.0 3.0=54, 4.9/1096=9...(40) HD3 LYS 24 + HG3 LYS 24 OK 35 65 60 89 2.3-3.0 3.0=54, 4.9/1096=9...(53) HB3 LYS 53 - HG2 LYS 53 far 0 52 0 - 2.9-3.0 HG LEU 70 - HG2 LYS 73 far 0 75 0 - 4.5-5.1 HD2 LYS 39 - HG2 LYS 73 far 0 98 0 - 4.8-9.7 HB2 LEU 2 - HG3 LYS 53 far 0 44 0 - 4.9-5.7 HD3 LYS 39 - HG2 LYS 73 far 0 84 0 - 5.5-8.7 HB2 LEU 2 - HG2 LYS 53 far 0 35 0 - 5.7-6.5 HB ILE 52 - HG2 LYS 53 far 0 60 0 - 5.7-6.2 HB ILE 52 - HG3 LYS 53 far 0 73 0 - 5.7-6.4 HD3 LYS 12 - HG3 LYS 13 far 0 70 0 - 5.8-7.4 HG3 LYS 20 - HG3 LYS 24 far 0 89 0 - 6.2-10.6 HG12 ILE 15 - HG3 LYS 33 far 0 69 0 - 6.3-8.1 HD2 LYS 12 - HG3 LYS 13 far 0 70 0 - 6.5-8.1 HD3 LYS 66 - HG2 LYS 73 far 0 70 0 - 6.7-8.4 HG2 PRO 86 - HG3 LYS 13 far 0 84 0 - 6.9-8.6 HD3 LYS 20 - HG3 LYS 24 far 0 89 0 - 7.0-12.0 HD2 LYS 20 - HG3 LYS 24 far 0 87 0 - 7.5-11.1 HD2 LYS 12 - HG3 LYS 33 far 0 58 0 - 7.6-10.8 HB ILE 52 - HG2 LYS 47 far 0 100 0 - 7.7-8.9 HB3 ARG 79 - HG2 LYS 53 far 0 56 0 - 8.1-9.3 HG12 ILE 15 - HG3 LYS 13 far 0 83 0 - 8.1-9.8 HD3 LYS 12 - HG3 LYS 33 far 0 58 0 - 8.1-10.5 HB ILE 76 - HG2 LYS 53 far 0 47 0 - 8.1-9.7 HG2 LYS 68 - HG2 LYS 73 far 0 85 0 - 8.3-9.8 HB3 ARG 79 - HG3 LYS 53 far 0 68 0 - 8.3-10.0 HB ILE 76 - HG2 LYS 73 far 0 88 0 - 8.4-9.4 HB3 LEU 6 - HG3 LYS 33 far 0 79 0 - 8.6-9.1 HD2 LYS 20 - HG3 LYS 13 far 0 98 0 - 8.6-10.1 HD3 LYS 20 - HG3 LYS 13 far 0 99 0 - 8.7-11.5 HD2 LYS 68 - HG2 LYS 73 far 0 96 0 - 9.2-11.6 HD3 LYS 68 - HG2 LYS 73 far 0 96 0 - 9.5-11.1 HB2 LEU 2 - HG2 LYS 47 far 0 69 0 - 9.5-10.9 HB ILE 76 - HG3 LYS 53 far 0 58 0 - 9.7-11.1 HB2 LYS 40 - HG3 LYS 33 far 0 76 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 3267 from cnoeabs.peaks (1.67, 1.49, 25.00 ppm; 2.40 A): 9 out of 42 assignments used, quality = 1.00: HD3 LYS 47 + HG2 LYS 47 OK 86 96 100 90 2.3-2.6 3.0=53, 12090/12088=8...(55) HD2 LYS 73 + HG2 LYS 73 OK 58 100 65 89 2.3-3.0 3.0=54, 3298/1.8=19...(54) HB3 LYS 53 + HG3 LYS 53 OK 56 62 100 90 2.2-2.4 3.0=53, 2451/3.0=23...(26) * HD3 LYS 73 + HG2 LYS 73 OK 49 100 55 89 2.4-3.0 3.0=54, 3298/1.8=20...(50) HD2 LYS 47 + HG2 LYS 47 OK 48 96 55 92 2.3-3.0 3.0=53, 2195/1.8=16...(66) HD3 LYS 13 + HG3 LYS 13 OK 37 62 70 86 2.3-3.0 3.0=54, 1.8/555=9...(38) HD2 LYS 13 + HG3 LYS 13 OK 36 66 65 84 2.3-3.0 3.0=54, 1.8/555=9...(34) HD2 LYS 24 + HG3 LYS 24 OK 36 64 65 87 2.3-3.0 3.0=54, 4.9/1096=9...(40) HD3 LYS 24 + HG3 LYS 24 OK 33 62 60 89 2.3-3.0 3.0=54, 4.9/1096=9...(53) HB3 LYS 53 - HG2 LYS 53 far 0 50 0 - 2.9-3.0 HG LEU 70 - HG2 LYS 73 far 0 71 0 - 4.5-5.1 HD2 LYS 39 - HG2 LYS 73 far 0 99 0 - 4.8-9.7 HB2 LEU 2 - HG3 LYS 53 far 0 41 0 - 4.9-5.7 HD3 LYS 39 - HG2 LYS 73 far 0 87 0 - 5.5-8.7 HB2 LEU 2 - HG2 LYS 53 far 0 32 0 - 5.7-6.5 HB ILE 52 - HG2 LYS 53 far 0 59 0 - 5.7-6.2 HB ILE 52 - HG3 LYS 53 far 0 73 0 - 5.7-6.4 HD3 LYS 12 - HG3 LYS 13 far 0 66 0 - 5.8-7.4 HG3 LYS 20 - HG3 LYS 24 far 0 88 0 - 6.2-10.6 HG12 ILE 15 - HG3 LYS 33 far 0 66 0 - 6.3-8.1 HD2 LYS 12 - HG3 LYS 13 far 0 66 0 - 6.5-8.1 HD3 LYS 66 - HG2 LYS 73 far 0 65 0 - 6.7-8.4 HG2 PRO 86 - HG3 LYS 13 far 0 81 0 - 6.9-8.6 HD3 LYS 20 - HG3 LYS 24 far 0 88 0 - 7.0-12.0 HD2 LYS 20 - HG3 LYS 24 far 0 86 0 - 7.5-11.1 HD2 LYS 12 - HG3 LYS 33 far 0 54 0 - 7.6-10.8 HB ILE 52 - HG2 LYS 47 far 0 100 0 - 7.7-8.9 HB3 ARG 79 - HG2 LYS 53 far 0 57 0 - 8.1-9.3 HG12 ILE 15 - HG3 LYS 13 far 0 79 0 - 8.1-9.8 HD3 LYS 12 - HG3 LYS 33 far 0 54 0 - 8.1-10.5 HB ILE 76 - HG2 LYS 53 far 0 49 0 - 8.1-9.7 HG2 LYS 68 - HG2 LYS 73 far 0 88 0 - 8.3-9.8 HB3 ARG 79 - HG3 LYS 53 far 0 70 0 - 8.3-10.0 HB ILE 76 - HG2 LYS 73 far 0 91 0 - 8.4-9.4 HB3 LEU 6 - HG3 LYS 33 far 0 81 0 - 8.6-9.1 HD2 LYS 20 - HG3 LYS 13 far 0 97 0 - 8.6-10.1 HD3 LYS 20 - HG3 LYS 13 far 0 98 0 - 8.7-11.5 HD2 LYS 68 - HG2 LYS 73 far 0 98 0 - 9.2-11.6 HD3 LYS 68 - HG2 LYS 73 far 0 97 0 - 9.5-11.1 HB2 LEU 2 - HG2 LYS 47 far 0 65 0 - 9.5-10.9 HB ILE 76 - HG3 LYS 53 far 0 61 0 - 9.7-11.1 HB2 LYS 40 - HG3 LYS 33 far 0 79 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 3268 from cnoeabs.peaks (2.95, 1.49, 25.00 ppm; 3.60 A): 8 out of 27 assignments used, quality = 1.00: HE2 LYS 13 + HG3 LYS 13 OK 93 98 95 100 2.3-4.1 3.8=84, 474/1.8=23...(77) HE3 LYS 73 + HG2 LYS 73 OK 90 100 90 100 2.2-4.1 4.0=73, 3.0/3297=17...(109) HE3 LYS 13 + HG3 LYS 13 OK 89 99 90 100 2.1-4.2 3.8=84, 576/1.8=26...(76) HE3 LYS 47 + HG2 LYS 47 OK 88 88 100 100 2.4-3.9 3.8=87, 2155/3.0=17...(121) * HE2 LYS 73 + HG2 LYS 73 OK 85 100 85 100 2.1-4.2 4.0=73, 3.0/3297=17...(110) HE2 LYS 24 + HG3 LYS 24 OK 82 87 95 100 2.2-4.0 3.7=91, 12306/3.7=29...(102) HE3 LYS 24 + HG3 LYS 24 OK 82 87 95 100 2.3-4.2 3.7=91, 6.2/1096=15...(100) HE2 LYS 47 + HG2 LYS 47 OK 53 88 60 100 2.3-4.2 3.8=87, 2154/3.0=16...(126) HB2 ASN 51 - HG3 LYS 53 far 0 73 0 - 5.0-6.1 HE3 LYS 12 - HG3 LYS 13 far 0 96 0 - 5.4-9.4 HB2 ASN 51 - HG2 LYS 53 far 0 59 0 - 5.6-6.4 HB2 PHE 45 - HG2 LYS 47 far 0 73 0 - 6.0-7.8 HE2 LYS 94 - HG3 LYS 24 far 0 62 0 - 6.1-13.0 HG2 MET 21 - HG3 LYS 24 far 0 87 0 - 6.1-8.8 HB3 PHE 45 - HG2 LYS 47 far 0 96 0 - 6.5-8.1 HE3 LYS 20 - HG3 LYS 24 far 0 50 0 - 6.7-11.3 HE3 LYS 12 - HG3 LYS 33 far 0 84 0 - 7.4-10.5 HB3 PHE 45 - HG2 LYS 53 far 0 53 0 - 7.5-8.3 HE2 LYS 20 - HG3 LYS 24 far 0 48 0 - 7.7-11.0 HB3 PHE 45 - HG3 LYS 53 far 0 66 0 - 8.1-9.1 HE3 LYS 20 - HG3 LYS 13 far 0 60 0 - 8.3-12.3 HB2 ASN 10 - HG3 LYS 33 far 0 74 0 - 8.6-9.2 HB2 PHE 45 - HG2 LYS 53 far 0 37 0 - 8.8-9.9 HE3 LYS 90 - HG3 LYS 24 far 0 84 0 - 8.9-11.4 HE2 LYS 20 - HG3 LYS 13 far 0 58 0 - 9.0-11.8 HB2 ASN 10 - HG3 LYS 13 far 0 87 0 - 9.1-10.8 HB2 PHE 45 - HG3 LYS 53 far 0 46 0 - 9.6-10.7 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 30 assignments used, quality = 1.00: HE2 LYS 13 + HG3 LYS 13 OK 91 96 95 100 2.3-4.1 3.8=84, 576/1.8=23...(77) * HE3 LYS 73 + HG2 LYS 73 OK 90 100 90 100 2.2-4.1 4.0=73, 3.0/3297=17...(109) HE3 LYS 13 + HG3 LYS 13 OK 87 97 90 100 2.1-4.2 3.8=84, 576/1.8=25...(76) HE2 LYS 73 + HG2 LYS 73 OK 85 100 85 100 2.1-4.2 4.0=73, 3.0/3297=17...(110) HE3 LYS 47 + HG2 LYS 47 OK 81 81 100 100 2.4-3.9 3.8=87, 6.6/6772=16...(121) HE2 LYS 24 + HG3 LYS 24 OK 79 83 95 100 2.2-4.0 3.7=91, 12306/3.7=24...(102) HE3 LYS 24 + HG3 LYS 24 OK 79 83 95 100 2.3-4.2 3.7=91, 6.2/1096=15...(100) HE2 LYS 47 + HG2 LYS 47 OK 48 81 60 100 2.3-4.2 3.8=87, 6.6/6772=16...(126) HB2 ASN 51 - HG3 LYS 53 far 0 73 0 - 5.0-6.1 HE3 LYS 12 - HG3 LYS 13 far 0 92 0 - 5.4-9.4 HB2 ASN 51 - HG2 LYS 53 far 0 60 0 - 5.6-6.4 HB2 PHE 45 - HG2 LYS 47 far 0 63 0 - 6.0-7.8 HE2 LYS 94 - HG3 LYS 24 far 0 70 0 - 6.1-13.0 HG2 MET 21 - HG3 LYS 24 far 0 89 0 - 6.1-8.8 HB3 PHE 45 - HG2 LYS 47 far 0 91 0 - 6.5-8.1 HE3 LYS 20 - HG3 LYS 24 far 0 59 0 - 6.7-11.3 HE3 LYS 94 - HG3 LYS 24 far 0 55 0 - 7.1-13.2 HE3 LYS 12 - HG3 LYS 33 far 0 79 0 - 7.4-10.5 HB3 PHE 45 - HG2 LYS 53 far 0 49 0 - 7.5-8.3 HE2 LYS 20 - HG3 LYS 24 far 0 57 0 - 7.7-11.0 HB3 PHE 45 - HG3 LYS 53 far 0 61 0 - 8.1-9.1 HE3 LYS 20 - HG3 LYS 13 far 0 70 0 - 8.3-12.3 HB2 ASN 10 - HG3 LYS 33 far 0 80 0 - 8.6-9.2 HB2 PHE 45 - HG2 LYS 53 far 0 31 0 - 8.8-9.9 HE3 LYS 68 - HG2 LYS 73 far 0 61 0 - 8.9-12.0 HE3 LYS 90 - HG3 LYS 24 far 0 87 0 - 8.9-11.4 HE2 LYS 68 - HG2 LYS 73 far 0 65 0 - 8.9-12.4 HE2 LYS 20 - HG3 LYS 13 far 0 68 0 - 9.0-11.8 HB2 ASN 10 - HG3 LYS 13 far 0 93 0 - 9.1-10.8 HB2 PHE 45 - HG3 LYS 53 far 0 39 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 3270 from cnoeabs.peaks (7.75, 1.49, 25.00 ppm; 4.94 A): 2 out of 8 assignments used, quality = 1.00: * H MET 74 + HG2 LYS 73 OK 100 100 100 100 3.9-4.9 7219=91, 7213/7207=82...(12) H ALA 25 + HG3 LYS 24 OK 47 53 90 98 3.9-5.3 3.6/1096=65, 4.6/6386=55...(10) H SER 49 - HG2 LYS 47 far 0 91 0 - 5.7-6.9 H VAL 78 - HG2 LYS 53 far 0 58 0 - 6.5-7.9 H GLU 37 - HG3 LYS 33 far 0 89 0 - 7.2-7.7 H SER 49 - HG2 LYS 53 far 0 49 0 - 7.5-9.5 H VAL 78 - HG3 LYS 53 far 0 71 0 - 8.0-9.4 H SER 49 - HG3 LYS 53 far 0 61 0 - 8.1-10.1 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 3 assignments used, quality = 1.00: * H LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.3-3.1 7208=100, 7205/2.9=81...(30) H ASN 26 - HG2 LYS 24 far 0 96 0 - 5.3-7.0 H SER 9 - HG3 LYS 12 far 0 76 0 - 9.8-10.5 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 2.2-3.6 4.1=79, 3.0/7208=63...(53) HA LYS 47 + HG3 LYS 47 OK 52 52 100 100 2.5-3.9 3.9=90, 2.9/6773=53...(65) HA GLN 72 - HG3 LYS 73 far 0 95 0 - 5.3-5.9 HA GLU 23 - HG2 LYS 24 far 0 78 0 - 5.7-7.5 HA LYS 13 - HG3 LYS 12 far 0 94 0 - 6.5-6.7 HB3 SER 85 - HG3 LYS 90 far 0 59 0 - 9.0-10.2 HA LYS 13 - HG3 LYS 90 far 0 61 0 - 9.5-10.2 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 24 assignments used, quality = 1.00: * HB2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.7-3.0 2.9=100 HB3 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.7-2.9 2.9=100 HB3 LYS 24 + HG2 LYS 24 OK 95 95 100 100 2.3-3.0 2.9=100 HB2 LYS 24 + HG2 LYS 24 OK 95 95 100 100 2.3-3.0 2.9=100 HB2 LYS 47 + HG3 LYS 47 OK 70 70 100 100 2.4-3.0 3.0=99, 2134/6773=26...(74) HB3 LYS 47 + HG3 LYS 47 OK 45 45 100 100 2.2-3.0 3.0=99, 4.0/6773=23...(80) HB2 GLU 17 + HG3 LYS 90 OK 44 62 90 80 2.5-3.4 ~10433=20, 1.8/12029=19...(17) HB3 MET 74 - HG3 LYS 73 far 0 100 0 - 3.5-7.3 HB3 ARG 46 - HG3 LYS 47 far 0 73 0 - 3.7-5.6 HB2 ARG 46 - HG3 LYS 47 far 0 65 0 - 4.4-6.2 HB3 LYS 20 - HG3 LYS 90 far 0 54 0 - 4.5-6.9 HB3 LYS 20 - HG2 LYS 24 far 0 81 0 - 4.5-9.3 HB2 LYS 94 - HG3 LYS 90 far 0 39 0 - 7.1-8.7 HB2 LYS 24 - HG3 LYS 90 far 0 68 0 - 7.1-7.8 HB2 LYS 94 - HG2 LYS 24 far 0 60 0 - 7.7-10.8 HB3 ARG 19 - HG3 LYS 90 far 0 48 0 - 8.0-8.7 HB3 LYS 24 - HG3 LYS 90 far 0 68 0 - 8.1-9.1 HB3 ARG 19 - HG2 LYS 24 far 0 73 0 - 8.8-12.3 HB2 ARG 46 - HG3 LYS 73 far 0 95 0 - 8.9-13.4 HG3 GLU 88 - HG3 LYS 90 far 0 63 0 - 9.3-10.6 HB3 ARG 19 - HG3 LYS 12 far 0 80 0 - 9.4-10.6 HB2 GLU 17 - HG2 LYS 24 far 0 89 0 - 9.5-12.6 HB3 MET 74 - HG3 LYS 47 far 0 73 0 - 9.9-12.0 HB3 ARG 46 - HG3 LYS 73 far 0 100 0 - 9.9-13.5 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 24 assignments used, quality = 1.00: * HB3 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.7-2.9 2.9=100 HB2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.7-3.0 2.9=100 HB3 LYS 24 + HG2 LYS 24 OK 95 95 100 100 2.3-3.0 2.9=100 HB2 LYS 24 + HG2 LYS 24 OK 95 95 100 100 2.3-3.0 2.9=100 HB2 LYS 47 + HG3 LYS 47 OK 69 69 100 100 2.4-3.0 3.0=99, 2134/6773=26...(74) HB3 LYS 47 + HG3 LYS 47 OK 46 46 100 100 2.2-3.0 3.0=99, 4.0/6773=23...(80) HB2 GLU 17 + HG3 LYS 90 OK 45 62 90 80 2.5-3.4 ~10433=20, 12027=19...(17) HB3 MET 74 - HG3 LYS 73 far 0 100 0 - 3.5-7.3 HB3 ARG 46 - HG3 LYS 47 far 0 73 0 - 3.7-5.6 HB2 ARG 46 - HG3 LYS 47 far 0 64 0 - 4.4-6.2 HB3 LYS 20 - HG3 LYS 90 far 0 56 0 - 4.5-6.9 HB3 LYS 20 - HG2 LYS 24 far 0 82 0 - 4.5-9.3 HB2 LYS 94 - HG3 LYS 90 far 0 40 0 - 7.1-8.7 HB2 LYS 24 - HG3 LYS 90 far 0 68 0 - 7.1-7.8 HB2 LYS 94 - HG2 LYS 24 far 0 62 0 - 7.7-10.8 HB3 ARG 19 - HG3 LYS 90 far 0 50 0 - 8.0-8.7 HB3 LYS 24 - HG3 LYS 90 far 0 68 0 - 8.1-9.1 HB3 ARG 19 - HG2 LYS 24 far 0 75 0 - 8.8-12.3 HB2 ARG 46 - HG3 LYS 73 far 0 94 0 - 8.9-13.4 HG3 GLU 88 - HG3 LYS 90 far 0 64 0 - 9.3-10.6 HB3 ARG 19 - HG3 LYS 12 far 0 81 0 - 9.4-10.6 HB2 GLU 17 - HG2 LYS 24 far 0 90 0 - 9.5-12.6 HB3 MET 74 - HG3 LYS 47 far 0 72 0 - 9.9-12.0 HB3 ARG 46 - HG3 LYS 73 far 0 100 0 - 9.9-13.5 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 17 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 HG2 LYS 20 - HG3 LYS 90 far 0 39 0 - 4.9-8.6 HG3 LYS 13 - HG3 LYS 12 far 0 100 0 - 6.0-6.9 HG2 LYS 20 - HG2 LYS 24 far 0 60 0 - 6.4-10.3 HB2 ARG 91 - HG3 LYS 90 far 0 68 0 - 7.0-7.2 HG3 LYS 24 - HG3 LYS 90 far 0 62 0 - 7.7-10.3 HB2 LEU 14 - HG3 LYS 90 far 0 46 0 - 8.8-9.8 HG13 ILE 52 - HG3 LYS 47 far 0 42 0 - 8.9-10.6 HB2 LEU 38 - HG3 LYS 73 far 0 63 0 - 8.9-13.0 HG LEU 57 - HG3 LYS 90 far 0 66 0 - 9.1-9.9 HB2 LEU 27 - HG2 LYS 24 far 0 60 0 - 9.4-10.7 HG3 LYS 33 - HG3 LYS 12 far 0 98 0 - 9.4-10.9 HG LEU 38 - HG3 LYS 73 far 0 71 0 - 9.7-12.1 HB2 LEU 14 - HG3 LYS 12 far 0 76 0 - 9.7-10.2 HB ILE 7 - HG3 LYS 90 far 0 46 0 - 9.7-10.2 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; 2.70 A increased from 2.40 A): 9 out of 35 assignments used, quality = 1.00: HD3 LYS 73 + HG3 LYS 73 OK 97 100 100 97 2.3-3.0 3.0=77, 1.8/3298=24...(78) * HD2 LYS 73 + HG3 LYS 73 OK 93 100 95 97 2.2-3.0 3.0=77, 1.8/3298=25...(78) HD2 LYS 47 + HG3 LYS 47 OK 68 68 100 99 2.4-2.7 3.0=75, 1.8/3984=9...(107) HD3 LYS 24 + HG2 LYS 24 OK 55 71 80 97 2.3-3.0 3.0=77, 1.8/1121=10...(62) HD2 LYS 12 + HG3 LYS 12 OK 55 71 80 97 2.3-3.0 3.0=74, 3.0/464=29...(42) HD2 LYS 24 + HG2 LYS 24 OK 49 73 70 97 2.3-3.0 3.0=77, 1.8/1121=13...(61) HD3 LYS 90 + HG3 LYS 90 OK 45 47 100 97 2.5-2.8 2.9=77, 3981/2.8=24...(26) HD3 LYS 47 + HG3 LYS 47 OK 36 68 55 98 2.4-3.0 3.0=75, 1.8/2195=17...(86) HD3 LYS 12 + HG3 LYS 12 OK 34 71 50 97 2.5-3.0 3.0=74, 3.0/464=29...(41) HG3 LYS 20 - HG3 LYS 90 far 0 67 0 - 4.6-7.9 HD3 LYS 20 - HG3 LYS 90 far 0 67 0 - 5.0-8.2 HD2 LYS 39 - HG3 LYS 73 far 0 98 0 - 5.0-11.0 HD3 LYS 39 - HG3 LYS 73 far 0 84 0 - 5.3-10.1 HG LEU 70 - HG3 LYS 73 far 0 75 0 - 5.4-6.8 HG3 LYS 20 - HG2 LYS 24 far 0 94 0 - 5.6-10.8 HD2 LYS 20 - HG3 LYS 90 far 0 66 0 - 5.8-8.1 HD3 LYS 24 - HG3 LYS 90 far 0 47 0 - 6.2-9.4 HD2 LYS 24 - HG3 LYS 90 far 0 48 0 - 6.7-10.1 HG2 PRO 86 - HG3 LYS 90 far 0 52 0 - 6.8-8.0 HD2 LYS 13 - HG3 LYS 12 far 0 71 0 - 7.0-9.4 HD3 LYS 13 - HG3 LYS 12 far 0 67 0 - 7.0-9.7 HB ILE 76 - HG3 LYS 73 far 0 88 0 - 7.0-9.6 HB3 ARG 91 - HG3 LYS 90 far 0 62 0 - 7.2-7.5 HD3 LYS 20 - HG2 LYS 24 far 0 94 0 - 7.2-12.3 HG12 ILE 15 - HG3 LYS 12 far 0 83 0 - 7.3-8.1 HD3 LYS 66 - HG3 LYS 73 far 0 70 0 - 7.9-9.7 HB ILE 52 - HG3 LYS 47 far 0 73 0 - 7.9-9.3 HD2 LYS 20 - HG2 LYS 24 far 0 93 0 - 8.1-11.6 HG2 LYS 68 - HG3 LYS 73 far 0 85 0 - 8.6-10.0 HD3 LYS 68 - HG3 LYS 73 far 0 96 0 - 9.0-11.5 HD2 LYS 68 - HG3 LYS 73 far 0 96 0 - 9.0-11.9 HD2 LYS 13 - HG3 LYS 90 far 0 42 0 - 9.6-13.1 HB2 LEU 2 - HG3 LYS 47 far 0 44 0 - 9.8-12.0 HD2 LYS 20 - HG3 LYS 12 far 0 98 0 - 9.8-11.8 HD3 LYS 13 - HG3 LYS 90 far 0 39 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 3278 from cnoeabs.peaks (1.67, 1.60, 25.00 ppm; 2.70 A increased from 2.40 A): 9 out of 35 assignments used, quality = 1.00: * HD3 LYS 73 + HG3 LYS 73 OK 97 100 100 97 2.3-3.0 3.0=77, 1.8/3298=24...(78) HD2 LYS 73 + HG3 LYS 73 OK 93 100 95 97 2.2-3.0 3.0=77, 1.8/3298=25...(78) HD2 LYS 47 + HG3 LYS 47 OK 66 67 100 99 2.4-2.7 3.0=75, 1.8/3984=9...(107) HD3 LYS 24 + HG2 LYS 24 OK 53 68 80 97 2.3-3.0 3.0=77, 1.8/1121=10...(62) HD2 LYS 12 + HG3 LYS 12 OK 52 67 80 97 2.3-3.0 3.0=74, 3.0/464=29...(42) HD2 LYS 24 + HG2 LYS 24 OK 47 70 70 97 2.3-3.0 3.0=77, 1.8/1121=13...(61) HD3 LYS 90 + HG3 LYS 90 OK 43 44 100 96 2.5-2.8 2.9=77, 3981/2.8=23...(26) HD3 LYS 47 + HG3 LYS 47 OK 35 66 55 98 2.4-3.0 3.0=75, 1.8/2195=17...(86) HD3 LYS 12 + HG3 LYS 12 OK 32 67 50 97 2.5-3.0 3.0=74, 3.0/464=29...(41) HG3 LYS 20 - HG3 LYS 90 far 0 66 0 - 4.6-7.9 HD3 LYS 20 - HG3 LYS 90 far 0 66 0 - 5.0-8.2 HD2 LYS 39 - HG3 LYS 73 far 0 99 0 - 5.0-11.0 HD3 LYS 39 - HG3 LYS 73 far 0 87 0 - 5.3-10.1 HG LEU 70 - HG3 LYS 73 far 0 71 0 - 5.4-6.8 HG3 LYS 20 - HG2 LYS 24 far 0 94 0 - 5.6-10.8 HD2 LYS 20 - HG3 LYS 90 far 0 65 0 - 5.8-8.1 HD3 LYS 24 - HG3 LYS 90 far 0 44 0 - 6.2-9.4 HD2 LYS 24 - HG3 LYS 90 far 0 46 0 - 6.7-10.1 HG2 PRO 86 - HG3 LYS 90 far 0 50 0 - 6.8-8.0 HD2 LYS 13 - HG3 LYS 12 far 0 67 0 - 7.0-9.4 HD3 LYS 13 - HG3 LYS 12 far 0 63 0 - 7.0-9.7 HB ILE 76 - HG3 LYS 73 far 0 91 0 - 7.0-9.6 HB3 ARG 91 - HG3 LYS 90 far 0 61 0 - 7.2-7.5 HD3 LYS 20 - HG2 LYS 24 far 0 94 0 - 7.2-12.3 HG12 ILE 15 - HG3 LYS 12 far 0 80 0 - 7.3-8.1 HD3 LYS 66 - HG3 LYS 73 far 0 65 0 - 7.9-9.7 HB ILE 52 - HG3 LYS 47 far 0 73 0 - 7.9-9.3 HD2 LYS 20 - HG2 LYS 24 far 0 92 0 - 8.1-11.6 HG2 LYS 68 - HG3 LYS 73 far 0 88 0 - 8.6-10.0 HD3 LYS 68 - HG3 LYS 73 far 0 97 0 - 9.0-11.5 HD2 LYS 68 - HG3 LYS 73 far 0 98 0 - 9.0-11.9 HD2 LYS 13 - HG3 LYS 90 far 0 39 0 - 9.6-13.1 HB2 LEU 2 - HG3 LYS 47 far 0 41 0 - 9.8-12.0 HD2 LYS 20 - HG3 LYS 12 far 0 98 0 - 9.8-11.8 HD3 LYS 13 - HG3 LYS 90 far 0 36 0 - 9.9-12.9 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 27 assignments used, quality = 1.00: HE3 LYS 12 + HG3 LYS 12 OK 96 96 100 100 2.2-3.9 4.0=77, 1.8/464=72...(43) HE2 LYS 24 + HG2 LYS 24 OK 92 93 100 100 2.3-3.8 3.7=93, 12306/3.7=30...(111) * HE2 LYS 73 + HG3 LYS 73 OK 90 100 90 100 2.1-4.2 4.0=75, 3.0/3298=28...(115) HE3 LYS 24 + HG2 LYS 24 OK 88 93 95 100 2.1-3.9 3.7=93, 1.8/475=18...(109) HE3 LYS 73 + HG3 LYS 73 OK 85 100 85 100 2.1-4.2 4.0=75, 3.0/3298=28...(116) HG2 MET 21 + HG3 LYS 90 OK 63 65 100 96 2.0-2.9 8557/1.8=43, 3920/4.0=37...(19) HE3 LYS 90 + HG3 LYS 90 OK 62 62 100 100 2.2-2.9 3.8=89, 4005/1.8=68...(22) HE2 LYS 47 + HG3 LYS 47 OK 58 58 100 100 2.5-3.9 3.8=90, 3.0/2195=18...(135) HE3 LYS 47 + HG3 LYS 47 OK 56 58 95 100 2.2-4.2 3.8=90, 3.0/2195=18...(135) HE2 LYS 20 - HG3 LYS 90 far 0 34 0 - 4.1-9.6 HE3 LYS 20 - HG3 LYS 90 far 0 35 0 - 5.3-9.2 HG2 MET 21 - HG2 LYS 24 far 0 93 0 - 5.8-8.5 HE3 LYS 13 - HG3 LYS 12 far 0 99 0 - 6.0-10.1 HB2 PHE 45 - HG3 LYS 47 far 0 46 0 - 6.0-8.1 HE3 LYS 24 - HG3 LYS 90 far 0 65 0 - 6.3-10.6 HB3 PHE 45 - HG3 LYS 47 far 0 66 0 - 6.4-8.6 HE3 LYS 20 - HG2 LYS 24 far 0 55 0 - 6.5-10.8 HE2 LYS 20 - HG2 LYS 24 far 0 53 0 - 7.0-10.6 HE2 LYS 24 - HG3 LYS 90 far 0 65 0 - 7.0-10.9 HE2 LYS 13 - HG3 LYS 12 far 0 99 0 - 7.3-10.3 HE2 LYS 94 - HG2 LYS 24 far 0 68 0 - 7.3-12.8 HE2 LYS 94 - HG3 LYS 90 far 0 44 0 - 8.1-11.2 HE2 LYS 20 - HG3 LYS 12 far 0 59 0 - 8.4-13.5 HB2 ASN 10 - HG3 LYS 12 far 0 87 0 - 8.4-9.8 HE3 LYS 90 - HG2 LYS 24 far 0 90 0 - 9.0-11.8 HE3 LYS 13 - HG3 LYS 90 far 0 67 0 - 9.3-14.3 HE3 LYS 20 - HG3 LYS 12 far 0 61 0 - 9.6-14.7 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 31 assignments used, quality = 1.00: HE3 LYS 12 + HG3 LYS 12 OK 92 92 100 100 2.2-3.9 4.0=77, 1.8/464=72...(43) HE2 LYS 73 + HG3 LYS 73 OK 90 100 90 100 2.1-4.2 4.0=75, 3.0/3298=28...(115) HE2 LYS 24 + HG2 LYS 24 OK 89 89 100 100 2.3-3.8 3.7=93, 12306/3.7=25...(111) * HE3 LYS 73 + HG3 LYS 73 OK 85 100 85 100 2.1-4.2 4.0=75, 3.0/3298=28...(116) HE3 LYS 24 + HG2 LYS 24 OK 84 89 95 100 2.1-3.9 3.7=93, 1.8/475=18...(109) HE3 LYS 90 + HG3 LYS 90 OK 66 66 100 100 2.2-2.9 3.8=89, 4005/1.8=71...(22) HG2 MET 21 + HG3 LYS 90 OK 65 68 100 97 2.0-2.9 8557/1.8=44, 3920/4.0=39...(19) HE2 LYS 47 + HG3 LYS 47 OK 52 52 100 100 2.5-3.9 3.8=90, 3.0/2195=18...(135) HE3 LYS 47 + HG3 LYS 47 OK 49 52 95 100 2.2-4.2 3.8=90, 3.0/2195=18...(135) HE2 LYS 20 - HG3 LYS 90 far 0 40 0 - 4.1-9.6 HE3 LYS 20 - HG3 LYS 90 far 0 42 0 - 5.3-9.2 HG2 MET 21 - HG2 LYS 24 far 0 95 0 - 5.8-8.5 HE3 LYS 13 - HG3 LYS 12 far 0 98 0 - 6.0-10.1 HB2 PHE 45 - HG3 LYS 47 far 0 39 0 - 6.0-8.1 HE3 LYS 24 - HG3 LYS 90 far 0 62 0 - 6.3-10.6 HB3 PHE 45 - HG3 LYS 47 far 0 61 0 - 6.4-8.6 HE3 LYS 94 - HG2 LYS 24 far 0 60 0 - 6.5-13.1 HE3 LYS 20 - HG2 LYS 24 far 0 64 0 - 6.5-10.8 HE2 LYS 20 - HG2 LYS 24 far 0 62 0 - 7.0-10.6 HE2 LYS 24 - HG3 LYS 90 far 0 62 0 - 7.0-10.9 HE2 LYS 13 - HG3 LYS 12 far 0 96 0 - 7.3-10.3 HE2 LYS 94 - HG2 LYS 24 far 0 76 0 - 7.3-12.8 HE2 LYS 94 - HG3 LYS 90 far 0 51 0 - 8.1-11.2 HE3 LYS 94 - HG3 LYS 90 far 0 39 0 - 8.2-10.9 HE2 LYS 20 - HG3 LYS 12 far 0 69 0 - 8.4-13.5 HB2 ASN 10 - HG3 LYS 12 far 0 93 0 - 8.4-9.8 HE3 LYS 90 - HG2 LYS 24 far 0 93 0 - 9.0-11.8 HE2 LYS 68 - HG3 LYS 73 far 0 65 0 - 9.1-12.5 HE3 LYS 13 - HG3 LYS 90 far 0 65 0 - 9.3-14.3 HE3 LYS 68 - HG3 LYS 73 far 0 61 0 - 9.3-12.3 HE3 LYS 20 - HG3 LYS 12 far 0 71 0 - 9.6-14.7 Violated in 0 structures by 0.00 A. Peak 3281 from cnoeabs.peaks (7.75, 1.60, 25.00 ppm; 5.10 A): 2 out of 4 assignments used, quality = 1.00: * H MET 74 + HG3 LYS 73 OK 100 100 100 100 2.3-4.9 7220=100, 7213/7208=90...(12) H ALA 25 + HG2 LYS 24 OK 43 58 75 98 4.5-5.6 4.6/6385=58, 3.6/1053=50...(12) H SER 49 - HG3 LYS 47 far 0 61 0 - 5.7-7.2 H ALA 25 - HG3 LYS 90 far 0 38 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 3282 from cnoeabs.peaks (7.84, 1.67, 28.90 ppm; 5.02 A increased from 4.23 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 73 + HD2 LYS 73 OK 100 100 100 100 4.6-5.0 7206/3.6=92, 7208/3.0=92...(35) H LYS 73 + HD3 LYS 73 OK 100 100 100 100 4.6-5.0 7206/3.6=92, 7208/3.0=92...(34) H ASN 26 - HD2 LYS 24 far 0 63 0 - 5.5-7.9 H ASN 26 - HD3 LYS 24 far 0 60 0 - 6.5-8.0 Violated in 0 structures by 0.00 A. Peak 3283 from cnoeabs.peaks (4.17, 1.67, 28.90 ppm; 4.60 A increased from 3.87 A): 4 out of 14 assignments used, quality = 1.00: HA LYS 73 + HD3 LYS 73 OK 100 100 100 100 3.1-4.7 5.1=72, 3232/3.0=56...(74) * HA LYS 73 + HD2 LYS 73 OK 75 100 75 100 3.8-5.0 5.1=72, 3232/3.0=56...(72) HA LYS 47 + HD3 LYS 47 OK 33 36 90 100 3.8-4.9 5.1=73, 2126/3.0=43...(88) HA LYS 47 + HD2 LYS 47 OK 22 37 60 100 2.2-5.0 5.1=73, 2126/3.0=43...(99) HA GLU 23 - HD2 LYS 24 far 5 47 10 - 4.8-8.4 HA GLU 23 - HD3 LYS 24 far 0 45 0 - 6.1-9.0 HA LYS 13 - HD2 LYS 20 far 0 65 0 - 6.2-7.4 HA LYS 13 - HD3 LYS 20 far 0 67 0 - 6.7-8.8 HA GLN 72 - HD2 LYS 73 far 0 95 0 - 7.4-8.3 HA GLN 72 - HD3 LYS 73 far 0 95 0 - 7.5-8.1 HA GLU 23 - HD3 LYS 20 far 0 58 0 - 7.9-10.7 HB3 SER 85 - HB3 ARG 91 far 0 44 0 - 8.0-9.4 HA GLU 23 - HD2 LYS 20 far 0 56 0 - 9.6-10.7 HA GLU 98 - HD3 LYS 24 far 0 53 0 - 9.6-15.3 Violated in 0 structures by 0.00 A. Peak 3284 from cnoeabs.peaks (1.96, 1.67, 28.90 ppm; 3.05 A): 13 out of 44 assignments used, quality = 1.00: HB3 LYS 73 + HD3 LYS 73 OK 74 100 75 98 2.0-3.6 3.6=61, 3.0/3233=12...(99) HB2 LYS 24 + HD2 LYS 24 OK 52 62 85 99 2.1-3.7 3.6=63, 1072/8564=13...(97) HB3 LYS 73 + HD2 LYS 73 OK 44 100 45 99 2.1-3.5 3.6=61, 3244/1.8=11...(103) HB3 LYS 20 + HD3 LYS 20 OK 40 61 70 95 2.0-3.9 3.5=64, ~848=14, ~883=14...(43) HB2 LYS 73 + HD3 LYS 73 OK 40 100 40 99 2.9-4.0 3.6=61, 3.0/3233=12...(115) HB3 LYS 24 + HD2 LYS 24 OK 40 62 65 98 2.3-3.9 3.6=63, ~1096=13...(92) HB2 LYS 24 + HD3 LYS 24 OK 38 59 65 99 2.1-4.2 3.6=63, ~1096=13...(99) HB3 LYS 20 + HD2 LYS 20 OK 36 58 65 96 2.4-4.2 3.5=64, ~848=14, ~883=14...(49) HB3 LYS 24 + HD3 LYS 24 OK 35 59 60 99 2.2-4.1 3.6=63, ~1096=13...(94) HB2 LYS 47 + HD3 LYS 47 OK 32 50 65 99 2.7-3.7 3.9=46, 1.8/2152=14...(97) * HB2 LYS 73 + HD2 LYS 73 OK 30 100 30 99 3.0-4.2 3.6=61, 7205/7210=11...(116) HB2 LYS 47 + HD2 LYS 47 OK 23 51 45 99 2.2-3.8 3.9=46, 3.0/2174=12...(103) HB3 LYS 47 + HD3 LYS 47 OK 22 31 70 99 2.4-4.2 3.9=46, 3.0/3267=12...(110) HB3 LYS 47 - HD2 LYS 47 poor 6 32 20 - 2.7-3.7 HB3 ARG 19 - HD3 LYS 20 far 5 54 10 - 2.5-6.4 HB3 ARG 46 - HD2 LYS 47 far 0 54 0 - 3.5-7.4 HB3 LYS 20 - HD3 LYS 24 far 0 47 0 - 3.5-9.0 HB3 ARG 19 - HD2 LYS 20 far 0 52 0 - 3.5-5.5 HB3 ARG 46 - HD3 LYS 47 far 0 53 0 - 3.9-7.2 HB2 ARG 46 - HD2 LYS 47 far 0 47 0 - 3.9-7.8 HB2 GLU 17 - HD3 LYS 20 far 0 68 0 - 3.9-7.4 HB3 LYS 20 - HD2 LYS 24 far 0 49 0 - 4.4-7.6 HB3 MET 74 - HD2 LYS 73 far 0 100 0 - 4.4-8.7 HB2 GLU 17 - HD2 LYS 20 far 0 66 0 - 4.6-7.1 HB2 ARG 46 - HD3 LYS 47 far 0 46 0 - 4.7-8.1 HB3 MET 74 - HD3 LYS 73 far 0 100 0 - 5.1-8.8 HB2 LYS 94 - HB3 ARG 91 far 0 29 0 - 5.6-7.8 HG3 GLU 88 - HB3 ARG 91 far 0 48 0 - 6.1-6.8 HB2 LYS 94 - HD3 LYS 24 far 0 33 0 - 6.4-10.7 HB2 LYS 94 - HD2 LYS 24 far 0 35 0 - 6.7-11.3 HB2 LYS 24 - HD3 LYS 20 far 0 75 0 - 7.3-9.9 HB3 ARG 19 - HD3 LYS 24 far 0 42 0 - 8.0-12.6 HB2 LYS 24 - HD2 LYS 20 far 0 72 0 - 8.1-9.8 HB3 ARG 19 - HD2 LYS 24 far 0 44 0 - 8.1-11.4 HB2 GLU 17 - HD3 LYS 24 far 0 53 0 - 8.5-11.6 HB2 GLU 17 - HB3 ARG 91 far 0 46 0 - 8.7-9.5 HB2 GLU 17 - HD2 LYS 24 far 0 56 0 - 8.8-11.8 HB3 LYS 24 - HD3 LYS 20 far 0 75 0 - 9.0-11.2 HB2 ARG 46 - HD2 LYS 73 far 0 95 0 - 9.0-14.8 HB3 LYS 24 - HD2 LYS 20 far 0 72 0 - 9.1-11.3 HB3 MET 74 - HD2 LYS 47 far 0 54 0 - 9.7-13.9 HB3 ARG 46 - HD2 LYS 73 far 0 100 0 - 9.9-14.7 HB2 ARG 46 - HD3 LYS 73 far 0 95 0 - 9.9-14.7 HB3 MET 74 - HD3 LYS 47 far 0 52 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 3285 from cnoeabs.peaks (1.96, 1.67, 28.90 ppm; 3.05 A): 13 out of 44 assignments used, quality = 1.00: HB3 LYS 73 + HD3 LYS 73 OK 74 100 75 98 2.0-3.6 3.6=61, 3.0/3233=12...(99) HB2 LYS 24 + HD2 LYS 24 OK 52 62 85 99 2.1-3.7 3.6=63, 1072/8564=13...(97) * HB3 LYS 73 + HD2 LYS 73 OK 44 100 45 99 2.1-3.5 3.6=61, 3244/1.8=11...(103) HB3 LYS 20 + HD3 LYS 20 OK 41 62 70 95 2.0-3.9 3.5=64, ~848=14, ~883=14...(43) HB2 LYS 73 + HD3 LYS 73 OK 40 100 40 99 2.9-4.0 3.6=61, 3.0/3233=12...(115) HB3 LYS 24 + HD2 LYS 24 OK 39 62 65 98 2.3-3.9 3.6=63, ~1096=13...(92) HB2 LYS 24 + HD3 LYS 24 OK 38 59 65 99 2.1-4.2 3.6=63, ~1096=13...(99) HB3 LYS 20 + HD2 LYS 20 OK 37 59 65 96 2.4-4.2 3.5=64, ~848=14, ~883=14...(49) HB3 LYS 24 + HD3 LYS 24 OK 35 59 60 99 2.2-4.1 3.6=63, ~1096=13...(94) HB2 LYS 47 + HD3 LYS 47 OK 32 50 65 99 2.7-3.7 3.9=46, 1.8/2152=14...(97) HB2 LYS 73 + HD2 LYS 73 OK 30 100 30 99 3.0-4.2 3.6=61, 7206/7210=11...(116) HB2 LYS 47 + HD2 LYS 47 OK 23 51 45 99 2.2-3.8 3.9=46, 3.0/2174=12...(103) HB3 LYS 47 + HD3 LYS 47 OK 22 32 70 99 2.4-4.2 3.9=46, 3.0/3267=12...(110) HB3 LYS 47 - HD2 LYS 47 poor 7 33 20 - 2.7-3.7 HB3 ARG 19 - HD3 LYS 20 far 6 55 10 - 2.5-6.4 HB3 ARG 46 - HD2 LYS 47 far 0 54 0 - 3.5-7.4 HB3 LYS 20 - HD3 LYS 24 far 0 48 0 - 3.5-9.0 HB3 ARG 19 - HD2 LYS 20 far 0 53 0 - 3.5-5.5 HB3 ARG 46 - HD3 LYS 47 far 0 53 0 - 3.9-7.2 HB2 ARG 46 - HD2 LYS 47 far 0 47 0 - 3.9-7.8 HB2 GLU 17 - HD3 LYS 20 far 0 69 0 - 3.9-7.4 HB3 LYS 20 - HD2 LYS 24 far 0 50 0 - 4.4-7.6 HB3 MET 74 - HD2 LYS 73 far 0 100 0 - 4.4-8.7 HB2 GLU 17 - HD2 LYS 20 far 0 66 0 - 4.6-7.1 HB2 ARG 46 - HD3 LYS 47 far 0 45 0 - 4.7-8.1 HB3 MET 74 - HD3 LYS 73 far 0 100 0 - 5.1-8.8 HB2 LYS 94 - HB3 ARG 91 far 0 30 0 - 5.6-7.8 HG3 GLU 88 - HB3 ARG 91 far 0 48 0 - 6.1-6.8 HB2 LYS 94 - HD3 LYS 24 far 0 35 0 - 6.4-10.7 HB2 LYS 94 - HD2 LYS 24 far 0 36 0 - 6.7-11.3 HB2 LYS 24 - HD3 LYS 20 far 0 75 0 - 7.3-9.9 HB3 ARG 19 - HD3 LYS 24 far 0 43 0 - 8.0-12.6 HB2 LYS 24 - HD2 LYS 20 far 0 72 0 - 8.1-9.8 HB3 ARG 19 - HD2 LYS 24 far 0 45 0 - 8.1-11.4 HB2 GLU 17 - HD3 LYS 24 far 0 54 0 - 8.5-11.6 HB2 GLU 17 - HB3 ARG 91 far 0 47 0 - 8.7-9.5 HB2 GLU 17 - HD2 LYS 24 far 0 57 0 - 8.8-11.8 HB3 LYS 24 - HD3 LYS 20 far 0 75 0 - 9.0-11.2 HB2 ARG 46 - HD2 LYS 73 far 0 94 0 - 9.0-14.8 HB3 LYS 24 - HD2 LYS 20 far 0 72 0 - 9.1-11.3 HB3 MET 74 - HD2 LYS 47 far 0 53 0 - 9.7-13.9 HB3 ARG 46 - HD2 LYS 73 far 0 100 0 - 9.9-14.7 HB2 ARG 46 - HD3 LYS 73 far 0 94 0 - 9.9-14.7 HB3 MET 74 - HD3 LYS 47 far 0 52 0 - 10.0-13.0 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 26 assignments used, quality = 0.99: * HG2 LYS 73 + HD2 LYS 73 OK 65 100 70 93 2.3-3.0 3.0=65, 1.8/3278=10...(61) HB2 ARG 91 + HB3 ARG 91 OK 51 51 100 100 1.8-1.8 1.8=100 HG2 LYS 73 + HD3 LYS 73 OK 51 100 55 92 2.4-3.0 3.0=65, 1.8/3278=11...(57) HG2 LYS 47 + HD3 LYS 47 OK 50 53 100 95 2.3-2.6 3.0=64, 12088/12091=10...(68) HG3 LYS 24 + HD2 LYS 24 OK 33 56 65 92 2.3-3.0 3.0=65, 1096/4.9=12...(44) HG3 LYS 24 + HD3 LYS 24 OK 30 53 60 93 2.3-3.0 3.0=65, 1096/4.9=12...(47) HG2 LYS 47 + HD2 LYS 47 OK 28 54 55 95 2.3-3.0 3.0=64, 1.8/2174=13...(69) HG2 LYS 20 + HD2 LYS 20 OK 27 42 70 90 2.2-3.0 2.8=72, 883/5.3=6...(44) HG2 LYS 20 + HD3 LYS 20 OK 23 44 60 89 2.4-2.9 2.8=72, 883/5.3=6...(39) HG2 LYS 20 - HD3 LYS 24 far 0 33 0 - 5.3-10.4 HG2 LYS 20 - HD2 LYS 24 far 0 35 0 - 5.9-9.0 HG3 LYS 24 - HD3 LYS 20 far 0 68 0 - 7.0-12.0 HG3 LYS 24 - HD2 LYS 20 far 0 66 0 - 7.5-11.1 HG LEU 57 - HB3 ARG 91 far 0 50 0 - 8.0-8.4 HG3 LYS 13 - HD2 LYS 20 far 0 72 0 - 8.6-10.1 HG13 ILE 52 - HD3 LYS 47 far 0 29 0 - 8.7-11.3 HG3 LYS 13 - HD3 LYS 20 far 0 75 0 - 8.7-11.5 HB2 LEU 27 - HD2 LYS 24 far 0 35 0 - 8.8-11.3 HB2 LEU 38 - HD2 LYS 73 far 0 63 0 - 9.3-12.7 HG2 LYS 66 - HD2 LYS 73 far 0 100 0 - 9.4-12.9 HB2 LEU 14 - HD2 LYS 20 far 0 49 0 - 9.4-11.0 HB2 LEU 27 - HD3 LYS 24 far 0 33 0 - 9.4-11.8 HG3 LYS 66 - HD2 LYS 73 far 0 100 0 - 9.6-12.5 HB2 LEU 14 - HD3 LYS 20 far 0 51 0 - 9.7-12.0 HB ILE 7 - HD3 LYS 20 far 0 51 0 - 9.9-12.7 HG2 LYS 66 - HD3 LYS 73 far 0 100 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 3287 from cnoeabs.peaks (1.60, 1.67, 28.90 ppm; 2.70 A increased from 2.40 A): 6 out of 32 assignments used, quality = 1.00: HG3 LYS 73 + HD3 LYS 73 OK 97 100 100 97 2.3-3.0 3.0=77, 3278/1.8=11...(81) * HG3 LYS 73 + HD2 LYS 73 OK 92 100 95 97 2.2-3.0 3.0=77, 3278/1.8=12...(81) HG2 LYS 24 + HD3 LYS 24 OK 43 56 80 96 2.3-3.0 3.0=77, 1091/1.8=9...(54) HG3 LYS 47 + HD2 LYS 47 OK 40 41 100 98 2.4-2.7 3.0=75, 6773/6774=8...(88) HG2 LYS 24 + HD2 LYS 24 OK 40 59 70 96 2.3-3.0 3.0=77, 1091/1.8=9...(54) HG3 LYS 47 + HD3 LYS 47 OK 22 40 55 98 2.4-3.0 3.0=75, 1.8/3267=14...(83) HG2 ARG 19 - HD3 LYS 20 far 0 71 0 - 4.4-9.2 HD3 LYS 94 - HB3 ARG 91 far 0 52 0 - 4.7-8.2 HG3 LYS 90 - HD3 LYS 20 far 0 70 0 - 5.0-8.2 HD2 LYS 94 - HD3 LYS 24 far 0 44 0 - 5.0-11.0 HG2 ARG 19 - HD2 LYS 20 far 0 68 0 - 5.2-8.4 HD2 LYS 94 - HB3 ARG 91 far 0 38 0 - 5.5-9.1 HG3 LYS 90 - HD2 LYS 20 far 0 67 0 - 5.8-8.1 HD2 LYS 94 - HD2 LYS 24 far 0 46 0 - 6.0-11.2 HD3 LYS 94 - HD3 LYS 24 far 0 60 0 - 6.0-12.8 HG3 LYS 90 - HD3 LYS 24 far 0 55 0 - 6.2-9.4 HG3 LYS 90 - HD2 LYS 24 far 0 58 0 - 6.7-10.1 HD3 LYS 94 - HD2 LYS 24 far 0 63 0 - 7.1-12.9 HD2 LYS 66 - HD2 LYS 73 far 0 100 0 - 7.2-11.6 HG3 LYS 90 - HB3 ARG 91 far 0 48 0 - 7.2-7.5 HG2 LYS 24 - HD3 LYS 20 far 0 71 0 - 7.2-12.3 HB3 LEU 29 - HD3 LYS 20 far 0 76 0 - 7.9-11.2 HD2 LYS 66 - HD3 LYS 73 far 0 100 0 - 7.9-12.4 HG2 LYS 24 - HD2 LYS 20 far 0 69 0 - 8.1-11.6 HG LEU 27 - HD2 LYS 24 far 0 63 0 - 8.8-11.0 HG LEU 27 - HD3 LYS 24 far 0 60 0 - 8.8-11.1 HB3 LEU 29 - HD2 LYS 20 far 0 73 0 - 9.1-10.9 HB3 LEU 29 - HD2 LYS 24 far 0 63 0 - 9.1-11.9 HB3 LEU 29 - HD3 LYS 24 far 0 60 0 - 9.6-12.9 HG2 ARG 19 - HD2 LYS 24 far 0 58 0 - 9.7-13.2 HG2 ARG 19 - HD3 LYS 24 far 0 56 0 - 9.7-14.3 HG3 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.8-11.8 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 2.5-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 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 2.5-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 59 59 100 100 2.3-3.0 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 2.3-3.0 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 2.3-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 42 42 100 100 2.3-3.0 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 41 41 100 100 2.3-3.0 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 2.2-3.0 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 2.3-3.0 3.0=100 HE2 LYS 20 + HD2 LYS 20 OK 36 36 100 100 2.3-3.0 3.0=100 HE3 LYS 20 - HD3 LYS 24 far 0 30 0 - 4.4-10.9 HE3 LYS 90 - HD3 LYS 20 far 0 69 0 - 4.4-8.4 HG2 MET 21 - HD3 LYS 24 far 0 57 0 - 5.1-8.0 HE2 LYS 94 - HB3 ARG 91 far 0 33 0 - 5.1-10.1 HE3 LYS 20 - HD2 LYS 24 far 0 31 0 - 5.2-9.9 HE2 LYS 20 - HD3 LYS 24 far 0 29 0 - 5.3-10.5 HG2 MET 21 - HD2 LYS 24 far 0 59 0 - 5.5-8.4 HE3 LYS 90 - HD2 LYS 20 far 0 66 0 - 5.6-8.5 HE2 LYS 94 - HD3 LYS 24 far 0 38 0 - 5.7-12.3 HE3 LYS 24 - HD3 LYS 20 far 0 72 0 - 5.8-12.5 HG2 MET 21 - HD3 LYS 20 far 0 72 0 - 6.0-9.1 HE2 LYS 24 - HD3 LYS 20 far 0 72 0 - 6.1-12.3 HE2 LYS 20 - HD2 LYS 24 far 0 30 0 - 6.4-10.6 HE2 LYS 13 - HD2 LYS 20 far 0 71 0 - 6.5-12.1 HG2 MET 21 - HB3 ARG 91 far 0 49 0 - 6.9-7.5 HE3 LYS 24 - HD2 LYS 20 far 0 69 0 - 6.9-12.0 HG2 MET 21 - HD2 LYS 20 far 0 69 0 - 6.9-9.4 HE2 LYS 94 - HD2 LYS 24 far 0 40 0 - 6.9-12.9 HE3 LYS 90 - HD2 LYS 24 far 0 57 0 - 7.1-11.6 HB2 PHE 45 - HD3 LYS 47 far 0 32 0 - 7.2-8.6 HE3 LYS 90 - HD3 LYS 24 far 0 54 0 - 7.3-10.7 HB3 PHE 45 - HD3 LYS 47 far 0 47 0 - 7.3-9.1 HE3 LYS 90 - HB3 ARG 91 far 0 47 0 - 7.4-8.9 HE2 LYS 24 - HD2 LYS 20 far 0 69 0 - 7.5-11.7 HE2 LYS 13 - HD3 LYS 20 far 0 73 0 - 7.5-13.3 HE3 LYS 13 - HD2 LYS 20 far 0 72 0 - 7.5-11.8 HE3 LYS 13 - HD3 LYS 20 far 0 74 0 - 7.6-13.1 HB2 PHE 45 - HD2 LYS 47 far 0 33 0 - 7.8-9.3 HE3 LYS 12 - HD2 LYS 20 far 0 67 0 - 8.1-13.3 HB3 PHE 45 - HD2 LYS 47 far 0 48 0 - 8.2-9.6 HE3 LYS 12 - HD3 LYS 20 far 0 70 0 - 8.2-14.3 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 52 assignments used, quality = 1.00: * HE3 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 2.5-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 56 56 100 100 2.3-3.0 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 2.3-3.0 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 2.2-3.0 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 2.3-3.0 3.0=100 HE2 LYS 20 + HD2 LYS 20 OK 43 43 100 100 2.3-3.0 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 37 37 100 100 2.3-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 37 37 100 100 2.3-3.0 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 36 36 100 100 2.3-3.0 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 36 36 100 100 2.3-3.0 3.0=100 HE3 LYS 94 - HD3 LYS 24 far 0 33 0 - 4.1-12.4 HE3 LYS 20 - HD3 LYS 24 far 0 36 0 - 4.4-10.9 HE3 LYS 90 - HD3 LYS 20 far 0 73 0 - 4.4-8.4 HE3 LYS 94 - HB3 ARG 91 far 0 29 0 - 4.4-10.1 HG2 MET 21 - HD3 LYS 24 far 0 59 0 - 5.1-8.0 HE2 LYS 94 - HB3 ARG 91 far 0 38 0 - 5.1-10.1 HE3 LYS 94 - HD2 LYS 24 far 0 35 0 - 5.2-13.3 HE3 LYS 20 - HD2 LYS 24 far 0 38 0 - 5.2-9.9 HE2 LYS 20 - HD3 LYS 24 far 0 35 0 - 5.3-10.5 HG2 MET 21 - HD2 LYS 24 far 0 62 0 - 5.5-8.4 HE3 LYS 90 - HD2 LYS 20 far 0 70 0 - 5.6-8.5 HE2 LYS 94 - HD3 LYS 24 far 0 44 0 - 5.7-12.3 HE3 LYS 24 - HD3 LYS 20 far 0 68 0 - 5.8-12.5 HG2 MET 21 - HD3 LYS 20 far 0 75 0 - 6.0-9.1 HE2 LYS 24 - HD3 LYS 20 far 0 68 0 - 6.1-12.3 HE2 LYS 20 - HD2 LYS 24 far 0 36 0 - 6.4-10.6 HE2 LYS 13 - HD2 LYS 20 far 0 67 0 - 6.5-12.1 HG2 MET 21 - HB3 ARG 91 far 0 51 0 - 6.9-7.5 HE3 LYS 24 - HD2 LYS 20 far 0 66 0 - 6.9-12.0 HG2 MET 21 - HD2 LYS 20 far 0 72 0 - 6.9-9.4 HE2 LYS 94 - HD2 LYS 24 far 0 46 0 - 6.9-12.9 HE3 LYS 90 - HD2 LYS 24 far 0 60 0 - 7.1-11.6 HB2 PHE 45 - HD3 LYS 47 far 0 27 0 - 7.2-8.6 HE3 LYS 90 - HD3 LYS 24 far 0 57 0 - 7.3-10.7 HB3 PHE 45 - HD3 LYS 47 far 0 43 0 - 7.3-9.1 HE3 LYS 90 - HB3 ARG 91 far 0 50 0 - 7.4-8.9 HE2 LYS 24 - HD2 LYS 20 far 0 66 0 - 7.5-11.7 HE2 LYS 13 - HD3 LYS 20 far 0 70 0 - 7.5-13.3 HE3 LYS 13 - HD2 LYS 20 far 0 69 0 - 7.5-11.8 HE3 LYS 13 - HD3 LYS 20 far 0 71 0 - 7.6-13.1 HB2 PHE 45 - HD2 LYS 47 far 0 28 0 - 7.8-9.3 HE3 LYS 12 - HD2 LYS 20 far 0 63 0 - 8.1-13.3 HB3 PHE 45 - HD2 LYS 47 far 0 44 0 - 8.2-9.6 HE3 LYS 12 - HD3 LYS 20 far 0 65 0 - 8.2-14.3 HE3 LYS 68 - HD3 LYS 73 far 0 61 0 - 9.6-14.5 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; 5.96 A increased from 5.30 A): 4 out of 7 assignments used, quality = 0.97: * H MET 74 + HD2 LYS 73 OK 75 100 75 100 3.8-6.7 7220/3.0=87, 7219/3.0=86...(10) H MET 74 + HD3 LYS 73 OK 75 100 75 100 4.1-6.7 7220/3.0=87, 7219/3.0=86...(9) H ALA 25 + HD2 LYS 24 OK 29 34 90 94 4.6-6.5 6402/3.0=46, 6391/6.3=42...(8) H ALA 25 + HD3 LYS 24 OK 27 32 90 94 5.0-6.7 6402/3.0=46, 6391/6.3=42...(8) H SER 49 - HD2 LYS 47 far 7 44 15 - 5.5-8.7 H SER 49 - HD3 LYS 47 far 0 43 0 - 7.1-9.1 H ALA 25 - HD3 LYS 20 far 0 42 0 - 9.0-11.5 Violated in 0 structures by 0.00 A. Peak 3293 from cnoeabs.peaks (7.84, 1.67, 28.90 ppm; 5.02 A increased from 4.23 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 73 + HD3 LYS 73 OK 100 100 100 100 4.6-5.0 7206/3.6=92, 7208/3.0=92...(34) H LYS 73 + HD2 LYS 73 OK 100 100 100 100 4.6-5.0 7205/3.6=92, 7208/3.0=92...(35) Violated in 0 structures by 0.00 A. Peak 3294 from cnoeabs.peaks (4.17, 1.67, 28.90 ppm; 4.60 A increased from 3.87 A): 4 out of 11 assignments used, quality = 1.00: * HA LYS 73 + HD3 LYS 73 OK 100 100 100 100 3.1-4.7 5.1=72, 3232/3.0=56...(74) HA LYS 73 + HD2 LYS 73 OK 75 100 75 100 3.8-5.0 5.1=72, 3232/3.0=56...(72) HA LYS 47 + HD3 LYS 47 OK 31 34 90 100 3.8-4.9 5.1=73, 2126/3.0=43...(88) HA LYS 47 + HD2 LYS 47 OK 21 35 60 100 2.2-5.0 5.1=73, 2126/3.0=43...(99) HA LYS 13 - HD2 LYS 20 far 0 62 0 - 6.2-7.4 HA LYS 13 - HD3 LYS 20 far 0 66 0 - 6.7-8.8 HA GLN 72 - HD2 LYS 73 far 0 95 0 - 7.4-8.3 HA GLN 72 - HD3 LYS 73 far 0 95 0 - 7.5-8.1 HA GLU 23 - HD3 LYS 20 far 0 57 0 - 7.9-10.7 HB3 SER 85 - HB3 ARG 91 far 0 42 0 - 8.0-9.4 HA GLU 23 - HD2 LYS 20 far 0 54 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 3295 from cnoeabs.peaks (1.96, 1.67, 28.90 ppm; 3.62 A increased from 3.05 A): 10 out of 32 assignments used, quality = 1.00: HB3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.0-3.6 3.6=100 HB3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.1-3.5 3.6=100 * HB2 LYS 73 + HD3 LYS 73 OK 80 100 80 100 2.9-4.0 3.6=100 HB2 LYS 73 + HD2 LYS 73 OK 65 100 65 100 3.0-4.2 3.6=100 HB3 LYS 20 + HD3 LYS 20 OK 59 59 100 100 2.0-3.9 3.5=100 HB3 LYS 20 + HD2 LYS 20 OK 53 56 95 100 2.4-4.2 3.5=100 HB2 LYS 47 + HD2 LYS 47 OK 49 49 100 100 2.2-3.8 3.9=77, 2134/6.3=18...(109) HB2 LYS 47 + HD3 LYS 47 OK 48 48 100 100 2.7-3.7 3.9=77, 1.8/2152=18...(108) HB3 LYS 47 + HD2 LYS 47 OK 30 30 100 100 2.7-3.7 3.9=77, 3.0/2174=16...(117) HB3 LYS 47 + HD3 LYS 47 OK 22 29 75 100 2.4-4.2 3.9=77, 4.0/6774=16...(119) HB3 ARG 19 - HD3 LYS 20 far 5 53 10 - 2.5-6.4 HB3 ARG 46 - HD2 LYS 47 far 5 52 10 - 3.5-7.4 HB3 ARG 19 - HD2 LYS 20 far 5 50 10 - 3.5-5.5 HB3 ARG 46 - HD3 LYS 47 far 3 50 5 - 3.9-7.2 HB2 ARG 46 - HD2 LYS 47 far 2 45 5 - 3.9-7.8 HB2 GLU 17 - HD3 LYS 20 far 0 67 0 - 3.9-7.4 HB3 MET 74 - HD2 LYS 73 far 0 100 0 - 4.4-8.7 HB2 GLU 17 - HD2 LYS 20 far 0 63 0 - 4.6-7.1 HB2 ARG 46 - HD3 LYS 47 far 0 44 0 - 4.7-8.1 HB3 MET 74 - HD3 LYS 73 far 0 100 0 - 5.1-8.8 HB2 LYS 94 - HB3 ARG 91 far 0 27 0 - 5.6-7.8 HG3 GLU 88 - HB3 ARG 91 far 0 45 0 - 6.1-6.8 HB2 LYS 24 - HD3 LYS 20 far 0 73 0 - 7.3-9.9 HB2 LYS 24 - HD2 LYS 20 far 0 70 0 - 8.1-9.8 HB2 GLU 17 - HB3 ARG 91 far 0 44 0 - 8.7-9.5 HB3 LYS 24 - HD3 LYS 20 far 0 73 0 - 9.0-11.2 HB2 ARG 46 - HD2 LYS 73 far 0 95 0 - 9.0-14.8 HB3 LYS 24 - HD2 LYS 20 far 0 70 0 - 9.1-11.3 HB3 MET 74 - HD2 LYS 47 far 0 51 0 - 9.7-13.9 HB3 ARG 46 - HD2 LYS 73 far 0 100 0 - 9.9-14.7 HB2 ARG 46 - HD3 LYS 73 far 0 95 0 - 9.9-14.7 HB3 MET 74 - HD3 LYS 47 far 0 50 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 3296 from cnoeabs.peaks (1.96, 1.67, 28.90 ppm; 3.62 A increased from 3.05 A): 10 out of 32 assignments used, quality = 1.00: * HB3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.0-3.6 3.6=100 HB3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.1-3.5 3.6=100 HB2 LYS 73 + HD3 LYS 73 OK 80 100 80 100 2.9-4.0 3.6=100 HB2 LYS 73 + HD2 LYS 73 OK 65 100 65 100 3.0-4.2 3.6=100 HB3 LYS 20 + HD3 LYS 20 OK 60 60 100 100 2.0-3.9 3.5=100 HB3 LYS 20 + HD2 LYS 20 OK 54 57 95 100 2.4-4.2 3.5=100 HB2 LYS 47 + HD2 LYS 47 OK 48 48 100 100 2.2-3.8 3.9=77, 2134/6.3=18...(109) HB2 LYS 47 + HD3 LYS 47 OK 47 47 100 100 2.7-3.7 3.9=77, 1.8/2152=18...(108) HB3 LYS 47 + HD2 LYS 47 OK 31 31 100 100 2.7-3.7 3.9=77, 3.0/2174=16...(117) HB3 LYS 47 + HD3 LYS 47 OK 23 30 75 100 2.4-4.2 3.9=77, 4.0/6774=16...(119) HB3 ARG 19 - HD3 LYS 20 far 5 54 10 - 2.5-6.4 HB3 ARG 46 - HD2 LYS 47 far 5 51 10 - 3.5-7.4 HB3 ARG 19 - HD2 LYS 20 far 5 51 10 - 3.5-5.5 HB3 ARG 46 - HD3 LYS 47 far 3 50 5 - 3.9-7.2 HB2 ARG 46 - HD2 LYS 47 far 2 44 5 - 3.9-7.8 HB2 GLU 17 - HD3 LYS 20 far 0 67 0 - 3.9-7.4 HB3 MET 74 - HD2 LYS 73 far 0 100 0 - 4.4-8.7 HB2 GLU 17 - HD2 LYS 20 far 0 64 0 - 4.6-7.1 HB2 ARG 46 - HD3 LYS 47 far 0 43 0 - 4.7-8.1 HB3 MET 74 - HD3 LYS 73 far 0 100 0 - 5.1-8.8 HB2 LYS 94 - HB3 ARG 91 far 0 28 0 - 5.6-7.8 HG3 GLU 88 - HB3 ARG 91 far 0 46 0 - 6.1-6.8 HB2 LYS 24 - HD3 LYS 20 far 0 73 0 - 7.3-9.9 HB2 LYS 24 - HD2 LYS 20 far 0 70 0 - 8.1-9.8 HB2 GLU 17 - HB3 ARG 91 far 0 45 0 - 8.7-9.5 HB3 LYS 24 - HD3 LYS 20 far 0 73 0 - 9.0-11.2 HB2 ARG 46 - HD2 LYS 73 far 0 94 0 - 9.0-14.8 HB3 LYS 24 - HD2 LYS 20 far 0 70 0 - 9.1-11.3 HB3 MET 74 - HD2 LYS 47 far 0 51 0 - 9.7-13.9 HB3 ARG 46 - HD2 LYS 73 far 0 100 0 - 9.9-14.7 HB2 ARG 46 - HD3 LYS 73 far 0 94 0 - 9.9-14.7 HB3 MET 74 - HD3 LYS 47 far 0 50 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 3297 from cnoeabs.peaks (1.49, 1.67, 28.90 ppm; 2.56 A): 7 out of 20 assignments used, quality = 0.98: HG2 LYS 73 + HD2 LYS 73 OK 65 100 70 93 2.3-3.0 3.0=65, 1.8/3278=10...(61) * HG2 LYS 73 + HD3 LYS 73 OK 51 100 55 92 2.4-3.0 3.0=65, 1.8/3278=11...(57) HB2 ARG 91 + HB3 ARG 91 OK 49 49 100 100 1.8-1.8 1.8=100 HG2 LYS 47 + HD3 LYS 47 OK 48 50 100 95 2.3-2.6 3.0=64, 12088/12091=10...(67) HG2 LYS 47 + HD2 LYS 47 OK 27 52 55 95 2.3-3.0 3.0=64, 1.8/2174=13...(69) HG2 LYS 20 + HD2 LYS 20 OK 26 40 70 90 2.2-3.0 2.8=72, 883/5.3=6...(44) HG2 LYS 20 + HD3 LYS 20 OK 23 43 60 89 2.4-2.9 2.8=72, 883/5.3=6...(39) HG3 LYS 24 - HD3 LYS 20 far 0 67 0 - 7.0-12.0 HG3 LYS 24 - HD2 LYS 20 far 0 63 0 - 7.5-11.1 HG LEU 57 - HB3 ARG 91 far 0 48 0 - 8.0-8.4 HG3 LYS 13 - HD2 LYS 20 far 0 70 0 - 8.6-10.1 HG13 ILE 52 - HD3 LYS 47 far 0 28 0 - 8.7-11.3 HG3 LYS 13 - HD3 LYS 20 far 0 73 0 - 8.7-11.5 HB2 LEU 38 - HD2 LYS 73 far 0 63 0 - 9.3-12.7 HG2 LYS 66 - HD2 LYS 73 far 0 100 0 - 9.4-12.9 HB2 LEU 14 - HD2 LYS 20 far 0 47 0 - 9.4-11.0 HG3 LYS 66 - HD2 LYS 73 far 0 100 0 - 9.6-12.5 HB2 LEU 14 - HD3 LYS 20 far 0 50 0 - 9.7-12.0 HB ILE 7 - HD3 LYS 20 far 0 50 0 - 9.9-12.7 HG2 LYS 66 - HD3 LYS 73 far 0 100 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 3298 from cnoeabs.peaks (1.60, 1.67, 28.90 ppm; 2.70 A increased from 2.40 A): 4 out of 18 assignments used, quality = 1.00: * HG3 LYS 73 + HD3 LYS 73 OK 97 100 100 97 2.3-3.0 3.0=77, 3278/1.8=11...(81) HG3 LYS 73 + HD2 LYS 73 OK 92 100 95 97 2.2-3.0 3.0=77, 3278/1.8=12...(81) HG3 LYS 47 + HD2 LYS 47 OK 38 39 100 98 2.4-2.7 3.0=75, 1.8/3267=8...(88) HG3 LYS 47 + HD3 LYS 47 OK 21 38 55 98 2.4-3.0 3.0=75, 1.8/3267=14...(83) HG2 ARG 19 - HD3 LYS 20 far 0 69 0 - 4.4-9.2 HD3 LYS 94 - HB3 ARG 91 far 0 50 0 - 4.7-8.2 HG3 LYS 90 - HD3 LYS 20 far 0 68 0 - 5.0-8.2 HG2 ARG 19 - HD2 LYS 20 far 0 66 0 - 5.2-8.4 HD2 LYS 94 - HB3 ARG 91 far 0 36 0 - 5.5-9.1 HG3 LYS 90 - HD2 LYS 20 far 0 65 0 - 5.8-8.1 HD2 LYS 66 - HD2 LYS 73 far 0 100 0 - 7.2-11.6 HG3 LYS 90 - HB3 ARG 91 far 0 45 0 - 7.2-7.5 HG2 LYS 24 - HD3 LYS 20 far 0 70 0 - 7.2-12.3 HB3 LEU 29 - HD3 LYS 20 far 0 74 0 - 7.9-11.2 HD2 LYS 66 - HD3 LYS 73 far 0 100 0 - 7.9-12.4 HG2 LYS 24 - HD2 LYS 20 far 0 67 0 - 8.1-11.6 HB3 LEU 29 - HD2 LYS 20 far 0 71 0 - 9.1-10.9 HG3 LYS 12 - HD2 LYS 20 far 0 70 0 - 9.8-11.8 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 2.3-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.5-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.5-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 40 40 100 100 2.3-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 40 40 100 100 2.3-3.0 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 39 39 100 100 2.3-3.0 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 2.2-3.0 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 2.3-3.0 3.0=100 HE2 LYS 20 + HD2 LYS 20 OK 35 35 100 100 2.3-3.0 3.0=100 HE3 LYS 90 - HD3 LYS 20 far 0 67 0 - 4.4-8.4 HE2 LYS 94 - HB3 ARG 91 far 0 31 0 - 5.1-10.1 HE3 LYS 90 - HD2 LYS 20 far 0 64 0 - 5.6-8.5 HE3 LYS 24 - HD3 LYS 20 far 0 70 0 - 5.8-12.5 HG2 MET 21 - HD3 LYS 20 far 0 70 0 - 6.0-9.1 HE2 LYS 24 - HD3 LYS 20 far 0 70 0 - 6.1-12.3 HE2 LYS 13 - HD2 LYS 20 far 0 68 0 - 6.5-12.1 HG2 MET 21 - HB3 ARG 91 far 0 47 0 - 6.9-7.5 HE3 LYS 24 - HD2 LYS 20 far 0 67 0 - 6.9-12.0 HG2 MET 21 - HD2 LYS 20 far 0 67 0 - 6.9-9.4 HB2 PHE 45 - HD3 LYS 47 far 0 30 0 - 7.2-8.6 HB3 PHE 45 - HD3 LYS 47 far 0 45 0 - 7.3-9.1 HE3 LYS 90 - HB3 ARG 91 far 0 45 0 - 7.4-8.9 HE2 LYS 24 - HD2 LYS 20 far 0 67 0 - 7.5-11.7 HE2 LYS 13 - HD3 LYS 20 far 0 72 0 - 7.5-13.3 HE3 LYS 13 - HD2 LYS 20 far 0 69 0 - 7.5-11.8 HE3 LYS 13 - HD3 LYS 20 far 0 73 0 - 7.6-13.1 HB2 PHE 45 - HD2 LYS 47 far 0 31 0 - 7.8-9.3 HE3 LYS 12 - HD2 LYS 20 far 0 65 0 - 8.1-13.3 HB3 PHE 45 - HD2 LYS 47 far 0 46 0 - 8.2-9.6 HE3 LYS 12 - HD3 LYS 20 far 0 68 0 - 8.2-14.3 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 36 assignments used, quality = 1.00: * HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.5-3.0 3.0=100 HE3 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 2.3-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.5-3.0 3.0=100 HE3 LYS 20 + HD3 LYS 20 OK 45 45 100 100 2.2-3.0 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 2.3-3.0 3.0=100 HE2 LYS 20 + HD2 LYS 20 OK 42 42 100 100 2.3-3.0 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 35 35 100 100 2.3-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 35 35 100 100 2.3-3.0 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 34 34 100 100 2.3-3.0 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 34 34 100 100 2.3-3.0 3.0=100 HE3 LYS 90 - HD3 LYS 20 far 0 71 0 - 4.4-8.4 HE3 LYS 94 - HB3 ARG 91 far 0 27 0 - 4.4-10.1 HE2 LYS 94 - HB3 ARG 91 far 0 36 0 - 5.1-10.1 HE3 LYS 90 - HD2 LYS 20 far 0 68 0 - 5.6-8.5 HE3 LYS 24 - HD3 LYS 20 far 0 67 0 - 5.8-12.5 HG2 MET 21 - HD3 LYS 20 far 0 73 0 - 6.0-9.1 HE2 LYS 24 - HD3 LYS 20 far 0 67 0 - 6.1-12.3 HE2 LYS 13 - HD2 LYS 20 far 0 65 0 - 6.5-12.1 HG2 MET 21 - HB3 ARG 91 far 0 49 0 - 6.9-7.5 HE3 LYS 24 - HD2 LYS 20 far 0 63 0 - 6.9-12.0 HG2 MET 21 - HD2 LYS 20 far 0 70 0 - 6.9-9.4 HB2 PHE 45 - HD3 LYS 47 far 0 26 0 - 7.2-8.6 HB3 PHE 45 - HD3 LYS 47 far 0 41 0 - 7.3-9.1 HE3 LYS 90 - HB3 ARG 91 far 0 47 0 - 7.4-8.9 HE2 LYS 24 - HD2 LYS 20 far 0 63 0 - 7.5-11.7 HE2 LYS 13 - HD3 LYS 20 far 0 68 0 - 7.5-13.3 HE3 LYS 13 - HD2 LYS 20 far 0 67 0 - 7.5-11.8 HE3 LYS 13 - HD3 LYS 20 far 0 70 0 - 7.6-13.1 HB2 PHE 45 - HD2 LYS 47 far 0 26 0 - 7.8-9.3 HE3 LYS 12 - HD2 LYS 20 far 0 61 0 - 8.1-13.3 HB3 PHE 45 - HD2 LYS 47 far 0 42 0 - 8.2-9.6 HE3 LYS 12 - HD3 LYS 20 far 0 64 0 - 8.2-14.3 HE3 LYS 68 - HD3 LYS 73 far 0 61 0 - 9.6-14.5 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; 6.50 A increased from 5.30 A): 2 out of 5 assignments used, quality = 1.00: * H MET 74 + HD3 LYS 73 OK 100 100 100 100 4.1-6.7 7220/3.0=94, 7219/3.0=93...(9) H MET 74 + HD2 LYS 73 OK 100 100 100 100 3.8-6.7 7220/3.0=94, 7219/3.0=93...(10) H SER 49 - HD2 LYS 47 far 6 42 15 - 5.5-8.7 H SER 49 - HD3 LYS 47 far 0 41 0 - 7.1-9.1 H ALA 25 - HD3 LYS 20 far 0 41 0 - 9.0-11.5 Violated in 0 structures by 0.00 A. Peak 3305 from cnoeabs.peaks (4.17, 2.95, 41.80 ppm; 4.98 A increased from 4.20 A): 6 out of 15 assignments used, quality = 1.00: HA LYS 13 + HE3 LYS 13 OK 83 93 90 100 2.5-6.1 486/3.8=75, 518/3.8=65...(50) HA LYS 13 + HE2 LYS 13 OK 73 91 80 100 2.1-6.0 486/3.8=75, 518/3.8=65...(50) * HA LYS 73 + HE2 LYS 73 OK 70 100 70 100 3.2-5.9 3232/4.0=51, 6.7=42...(63) HA LYS 73 + HE3 LYS 73 OK 50 100 50 100 2.8-6.4 3232/4.0=51, 6.7=42...(64) HA LYS 47 + HE3 LYS 47 OK 49 54 90 100 2.3-6.1 6.3=50, 2126/3.8=42...(80) HA LYS 47 + HE2 LYS 47 OK 32 54 60 100 2.3-6.0 6.3=50, 2126/3.8=42...(79) HA GLU 23 - HE3 LYS 24 far 4 79 5 - 4.4-10.2 HA LYS 13 - HE3 LYS 12 far 0 85 0 - 5.8-9.0 HA GLU 23 - HE2 LYS 24 far 0 79 0 - 5.9-10.3 HA GLN 72 - HE3 LYS 73 far 0 94 0 - 6.9-9.6 HA GLN 72 - HE2 LYS 73 far 0 95 0 - 7.4-9.5 HB3 SER 85 - HE3 LYS 90 far 0 81 0 - 8.0-9.5 HA LYS 13 - HE3 LYS 90 far 0 83 0 - 8.1-11.0 HB3 SER 85 - HE3 LYS 13 far 0 91 0 - 8.8-13.2 HB3 SER 85 - HE2 LYS 13 far 0 89 0 - 9.3-13.0 Violated in 0 structures by 0.00 A. Peak 3306 from cnoeabs.peaks (1.96, 2.95, 41.80 ppm; 3.35 A): 8 out of 42 assignments used, quality = 0.99: HB2 GLU 17 + HE3 LYS 90 OK 70 84 90 92 2.1-4.1 3.0/9045=32...(19) HB2 LYS 47 + HE3 LYS 47 OK 61 72 85 99 2.0-4.7 4.9=33, 1.8/2155=19...(102) HB3 LYS 73 + HE2 LYS 73 OK 59 100 60 98 2.5-4.3 4.9=32, 3.0/3236=10...(101) HB2 LYS 47 + HE2 LYS 47 OK 50 72 70 99 2.0-4.6 4.9=33, 1.8/2154=18...(102) * HB2 LYS 73 + HE2 LYS 73 OK 40 100 40 99 2.3-5.3 4.9=32, 7205/7.0=11...(114) HB3 LYS 73 + HE3 LYS 73 OK 29 100 30 98 2.4-4.5 4.9=32, 1082/1.8=10...(105) HB3 LYS 24 + HE3 LYS 24 OK 24 96 25 98 2.2-5.5 4.9=31, ~12306=26...(94) HB3 LYS 47 + HE3 LYS 47 OK 23 47 50 99 2.1-4.8 4.9=33, 2155/1.8=13...(113) HB2 LYS 73 - HE3 LYS 73 poor 20 100 20 - 2.7-5.1 HB3 LYS 24 - HE2 LYS 24 poor 19 96 20 - 2.6-4.8 HB3 LYS 47 - HE2 LYS 47 poor 16 47 35 - 2.7-5.0 HB2 LYS 24 - HE2 LYS 24 far 14 96 15 - 3.1-5.1 HB2 LYS 24 - HE3 LYS 24 far 10 96 10 - 2.4-5.0 HB2 ARG 46 - HE3 LYS 47 far 0 67 0 - 4.1-9.5 HB3 LYS 20 - HE2 LYS 24 far 0 82 0 - 4.4-9.6 HB3 LYS 20 - HE3 LYS 24 far 0 82 0 - 4.6-9.9 HB3 ARG 46 - HE3 LYS 47 far 0 76 0 - 4.6-8.3 HB3 MET 74 - HE3 LYS 73 far 0 99 0 - 5.1-10.0 HB3 LYS 20 - HE3 LYS 90 far 0 76 0 - 5.2-7.6 HB2 LYS 94 - HE2 LYS 24 far 0 61 0 - 5.4-12.9 HB2 ARG 46 - HE2 LYS 47 far 0 67 0 - 5.6-9.7 HB3 ARG 46 - HE2 LYS 47 far 0 76 0 - 6.1-8.5 HB3 MET 74 - HE2 LYS 73 far 0 100 0 - 6.5-9.9 HB3 ARG 19 - HE3 LYS 12 far 0 70 0 - 6.6-11.9 HB2 GLU 17 - HE3 LYS 13 far 0 93 0 - 6.7-11.6 HB2 LYS 94 - HE3 LYS 24 far 0 61 0 - 7.1-13.1 HB2 GLU 17 - HE2 LYS 13 far 0 92 0 - 7.5-11.7 HB3 ARG 19 - HE3 LYS 24 far 0 74 0 - 8.2-13.6 HB2 LYS 94 - HE3 LYS 90 far 0 57 0 - 8.3-10.7 HB2 GLU 17 - HE3 LYS 24 far 0 90 0 - 8.3-12.9 HB2 LYS 24 - HE3 LYS 90 far 0 91 0 - 8.4-9.8 HB3 ARG 19 - HE3 LYS 90 far 0 69 0 - 8.8-10.2 HB2 GLU 17 - HE2 LYS 24 far 0 90 0 - 9.0-12.7 HB3 ARG 19 - HE2 LYS 24 far 0 74 0 - 9.2-13.7 HB3 LYS 24 - HE3 LYS 90 far 0 91 0 - 9.3-10.9 HB3 ARG 19 - HE2 LYS 13 far 0 76 0 - 9.4-14.5 HB3 LYS 20 - HE2 LYS 13 far 0 84 0 - 9.4-14.2 HG3 GLU 88 - HE3 LYS 90 far 0 86 0 - 9.5-10.9 HB3 LYS 20 - HE3 LYS 13 far 0 86 0 - 9.6-14.5 HB3 ARG 19 - HE3 LYS 13 far 0 78 0 - 9.8-14.5 HB3 LYS 20 - HE3 LYS 12 far 0 78 0 - 9.9-16.5 HB2 GLU 17 - HE3 LYS 12 far 0 86 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 3307 from cnoeabs.peaks (1.96, 2.95, 41.80 ppm; 3.35 A): 8 out of 43 assignments used, quality = 0.99: HB2 GLU 17 + HE3 LYS 90 OK 71 85 90 92 2.1-4.1 3.0/9045=32...(19) HB2 LYS 47 + HE3 LYS 47 OK 60 72 85 99 2.0-4.7 4.9=33, 1.8/2155=19...(102) * HB3 LYS 73 + HE2 LYS 73 OK 59 100 60 98 2.5-4.3 4.9=32, 3.0/3236=10...(101) HB2 LYS 47 + HE2 LYS 47 OK 50 72 70 99 2.0-4.6 4.9=33, 1.8/2154=18...(102) HB2 LYS 73 + HE2 LYS 73 OK 40 100 40 99 2.3-5.3 4.9=32, 7206/7.0=11...(114) HB3 LYS 73 + HE3 LYS 73 OK 29 100 30 98 2.4-4.5 4.9=32, 1082/1.8=10...(105) HB3 LYS 47 + HE3 LYS 47 OK 24 48 50 99 2.1-4.8 4.9=33, 2155/1.8=14...(113) HB3 LYS 24 + HE3 LYS 24 OK 24 96 25 98 2.2-5.5 4.9=31, ~12306=26...(94) HB2 LYS 73 - HE3 LYS 73 poor 20 100 20 - 2.7-5.1 HB3 LYS 24 - HE2 LYS 24 poor 19 96 20 - 2.6-4.8 HB3 LYS 47 - HE2 LYS 47 poor 17 48 35 - 2.7-5.0 HB2 LYS 24 - HE2 LYS 24 far 14 96 15 - 3.1-5.1 HB2 LYS 24 - HE3 LYS 24 far 10 96 10 - 2.4-5.0 HB2 ARG 46 - HE3 LYS 47 far 0 66 0 - 4.1-9.5 HB3 LYS 20 - HE2 LYS 24 far 0 83 0 - 4.4-9.6 HB3 LYS 20 - HE3 LYS 24 far 0 83 0 - 4.6-9.9 HB3 ARG 46 - HE3 LYS 47 far 0 76 0 - 4.6-8.3 HB3 MET 74 - HE3 LYS 73 far 0 99 0 - 5.1-10.0 HB3 LYS 20 - HE3 LYS 90 far 0 78 0 - 5.2-7.6 HB2 LYS 94 - HE2 LYS 24 far 0 63 0 - 5.4-12.9 HB2 ARG 46 - HE2 LYS 47 far 0 66 0 - 5.6-9.7 HB3 ARG 46 - HE2 LYS 47 far 0 76 0 - 6.1-8.5 HB3 MET 74 - HE2 LYS 73 far 0 100 0 - 6.5-9.9 HB3 ARG 19 - HE3 LYS 12 far 0 72 0 - 6.6-11.9 HB2 GLU 17 - HE3 LYS 13 far 0 94 0 - 6.7-11.6 HB2 LYS 94 - HE3 LYS 24 far 0 63 0 - 7.1-13.1 HB2 GLU 17 - HE2 LYS 13 far 0 93 0 - 7.5-11.7 HB3 ARG 19 - HE3 LYS 24 far 0 76 0 - 8.2-13.6 HB2 LYS 94 - HE3 LYS 90 far 0 58 0 - 8.3-10.7 HB2 GLU 17 - HE3 LYS 24 far 0 91 0 - 8.3-12.9 HB2 LYS 24 - HE3 LYS 90 far 0 91 0 - 8.4-9.8 HB3 ARG 19 - HE3 LYS 90 far 0 70 0 - 8.8-10.2 HB2 GLU 17 - HE2 LYS 24 far 0 91 0 - 9.0-12.7 HB3 ARG 19 - HE2 LYS 24 far 0 76 0 - 9.2-13.7 HB2 LYS 33 - HE3 LYS 12 far 0 51 0 - 9.2-12.5 HB3 LYS 24 - HE3 LYS 90 far 0 91 0 - 9.3-10.9 HB3 ARG 19 - HE2 LYS 13 far 0 78 0 - 9.4-14.5 HB3 LYS 20 - HE2 LYS 13 far 0 85 0 - 9.4-14.2 HG3 GLU 88 - HE3 LYS 90 far 0 87 0 - 9.5-10.9 HB3 LYS 20 - HE3 LYS 13 far 0 87 0 - 9.6-14.5 HB3 ARG 19 - HE3 LYS 13 far 0 80 0 - 9.8-14.5 HB3 LYS 20 - HE3 LYS 12 far 0 79 0 - 9.9-16.5 HB2 GLU 17 - HE3 LYS 12 far 0 87 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 3308 from cnoeabs.peaks (1.49, 2.95, 41.80 ppm; 3.64 A increased from 3.07 A): 8 out of 35 assignments used, quality = 1.00: HG3 LYS 13 + HE3 LYS 13 OK 93 99 95 100 2.1-4.2 3.8=87, 486/6.0=22...(72) HG3 LYS 13 + HE2 LYS 13 OK 92 98 95 100 2.3-4.1 3.8=87, 486/6.0=22...(73) HG2 LYS 73 + HE3 LYS 73 OK 90 100 90 100 2.2-4.1 4.0=76, 3297/3.0=17...(109) HG3 LYS 24 + HE2 LYS 24 OK 85 90 95 100 2.2-4.0 3.7=94, 1096/6.2=18...(103) HG3 LYS 24 + HE3 LYS 24 OK 85 90 95 100 2.3-4.2 3.7=94, 1096/6.2=18...(101) * HG2 LYS 73 + HE2 LYS 73 OK 85 100 85 100 2.1-4.2 4.0=76, 3297/3.0=17...(110) HG2 LYS 47 + HE3 LYS 47 OK 76 76 100 100 2.4-3.9 3.8=90, 3.0/2155=19...(121) HG2 LYS 47 + HE2 LYS 47 OK 49 76 65 100 2.3-4.2 3.8=90, 3.0/2155=18...(126) HG2 LYS 20 - HE3 LYS 24 far 0 61 0 - 5.3-10.7 HG3 LYS 13 - HE3 LYS 12 far 0 93 0 - 5.4-9.4 HG2 LYS 20 - HE3 LYS 90 far 0 57 0 - 5.5-9.1 HG2 LYS 20 - HE2 LYS 24 far 0 61 0 - 5.8-10.7 HB2 LEU 14 - HE3 LYS 13 far 0 74 0 - 6.4-9.1 HB2 ARG 91 - HE3 LYS 90 far 0 91 0 - 6.4-8.4 HB2 LEU 14 - HE2 LYS 13 far 0 73 0 - 6.9-9.5 HG3 LYS 33 - HE3 LYS 12 far 0 89 0 - 7.4-10.5 HB2 LEU 14 - HE3 LYS 12 far 0 67 0 - 8.3-11.4 HB2 LEU 27 - HE3 LYS 24 far 0 61 0 - 8.5-12.9 HB2 LEU 14 - HE3 LYS 90 far 0 65 0 - 8.5-10.0 HG3 LYS 66 - HE2 LYS 73 far 0 100 0 - 8.6-12.8 HB2 LEU 38 - HE2 LYS 73 far 0 63 0 - 8.6-14.9 HG3 LYS 66 - HE3 LYS 73 far 0 100 0 - 8.7-13.0 HG2 LYS 66 - HE2 LYS 73 far 0 100 0 - 8.8-13.2 HG3 LYS 24 - HE3 LYS 90 far 0 84 0 - 8.9-11.4 HB ILE 7 - HE3 LYS 12 far 0 67 0 - 8.9-13.3 HG13 ILE 52 - HE2 LYS 47 far 0 44 0 - 8.9-12.3 HB2 LEU 38 - HE3 LYS 73 far 0 62 0 - 8.9-14.7 HG2 LYS 20 - HE2 LYS 13 far 0 63 0 - 9.0-14.4 HG13 ILE 52 - HE3 LYS 47 far 0 44 0 - 9.0-12.3 HG2 LYS 66 - HE3 LYS 73 far 0 100 0 - 9.0-13.0 HG LEU 38 - HE3 LYS 73 far 0 70 0 - 9.5-14.2 HG2 LYS 20 - HE3 LYS 13 far 0 65 0 - 9.7-14.3 HG2 LYS 20 - HE3 LYS 12 far 0 58 0 - 9.8-15.0 HG LEU 38 - HE2 LYS 73 far 0 71 0 - 9.9-14.2 HG LEU 2 - HE3 LYS 47 far 0 61 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 3309 from cnoeabs.peaks (1.60, 2.95, 41.80 ppm; 2.82 A): 7 out of 28 assignments used, quality = 0.98: HG3 LYS 90 + HE3 LYS 90 OK 74 86 100 86 2.2-2.9 3.8=41, 1.8/4005=35...(15) HG2 LYS 24 + HE2 LYS 24 OK 51 93 60 91 2.3-3.8 3.7=43, 1121/3.0=9...(69) HG3 LYS 12 + HE3 LYS 12 OK 41 93 50 89 2.2-3.9 4.0=36, ~463=28, ~423=25...(29) HG3 LYS 47 + HE3 LYS 47 OK 37 59 65 95 2.2-4.2 3.8=42, 2195/3.0=10...(71) HG2 LYS 24 + HE3 LYS 24 OK 34 93 40 91 2.1-3.9 3.7=43, 1121/3.0=9...(69) HG3 LYS 73 + HE3 LYS 73 OK 28 100 30 93 2.1-4.2 4.0=35, 3298/3.0=18...(72) * HG3 LYS 73 + HE2 LYS 73 OK 23 100 25 92 2.1-4.2 4.0=35, 3298/3.0=18...(72) HG3 LYS 47 - HE2 LYS 47 far 9 59 15 - 2.5-3.9 HG2 ARG 19 - HE3 LYS 12 far 0 89 0 - 5.2-12.1 HD2 LYS 94 - HE3 LYS 90 far 0 72 0 - 5.8-11.6 HD2 LYS 94 - HE2 LYS 24 far 0 77 0 - 5.9-11.9 HG3 LYS 12 - HE3 LYS 13 far 0 99 0 - 6.0-10.1 HG3 LYS 90 - HE3 LYS 24 far 0 92 0 - 6.3-10.6 HD2 LYS 94 - HE3 LYS 24 far 0 77 0 - 6.5-12.2 HD3 LYS 94 - HE3 LYS 90 far 0 92 0 - 6.8-11.7 HG3 LYS 90 - HE2 LYS 24 far 0 92 0 - 7.0-10.9 HD2 LYS 66 - HE3 LYS 73 far 0 100 0 - 7.1-11.8 HD2 LYS 66 - HE2 LYS 73 far 0 100 0 - 7.2-11.5 HG3 LYS 12 - HE2 LYS 13 far 0 98 0 - 7.3-10.3 HD3 LYS 94 - HE2 LYS 24 far 0 97 0 - 7.4-13.6 HD3 LYS 94 - HE3 LYS 24 far 0 97 0 - 7.5-13.8 HB3 LEU 29 - HE3 LYS 24 far 0 96 0 - 8.9-14.2 HG LEU 27 - HE3 LYS 24 far 0 97 0 - 9.0-12.2 HG2 LYS 24 - HE3 LYS 90 far 0 88 0 - 9.0-11.8 HG3 LYS 90 - HE3 LYS 13 far 0 95 0 - 9.3-14.3 HG2 ARG 19 - HE3 LYS 90 far 0 87 0 - 9.3-11.7 HG2 ARG 19 - HE3 LYS 24 far 0 92 0 - 9.7-15.6 HG LEU 27 - HE2 LYS 24 far 0 97 0 - 9.9-12.2 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 77 assignments used, quality = 1.00: HD2 LYS 73 + HE3 LYS 73 OK 63 100 75 85 2.3-3.0 3.0=63, 3298/4.0=9...(43) HD3 LYS 73 + HE2 LYS 73 OK 60 100 70 86 2.3-3.0 3.0=63, 3298/4.0=9...(48) HD3 LYS 47 + HE2 LYS 47 OK 56 70 90 88 2.3-3.0 3.0=64, 3.9/2155=6...(59) HD2 LYS 24 + HE3 LYS 24 OK 54 74 85 86 2.3-3.0 3.0=64, 1.8/559=5...(45) HD3 LYS 90 + HE3 LYS 90 OK 49 67 90 81 2.2-3.0 3.0=65, 2.9/4005=22...(14) HD3 LYS 13 + HE2 LYS 13 OK 48 63 85 89 2.3-3.0 2.9=66, 3.0/576=8...(50) HD3 LYS 73 + HE3 LYS 73 OK 47 100 55 86 2.5-3.0 3.0=63, 3298/4.0=9...(48) * HD2 LYS 73 + HE2 LYS 73 OK 47 100 55 85 2.5-3.0 3.0=63, 3298/4.0=9...(44) HD2 LYS 47 + HE3 LYS 47 OK 40 71 65 87 2.3-3.0 3.0=64, 2195/3.8=7...(57) HD2 LYS 13 + HE3 LYS 13 OK 40 69 65 89 2.3-3.0 2.9=66, 3.0/576=9...(50) HD2 LYS 12 + HE3 LYS 12 OK 38 62 75 82 2.3-3.0 3.0=63, ~463=14, ~423=13...(17) HD3 LYS 24 + HE2 LYS 24 OK 37 72 60 86 2.3-3.0 3.0=64, 3.0/1092=5...(45) HD2 LYS 24 + HE2 LYS 24 OK 35 74 55 86 2.4-3.0 3.0=64, 3.0/1092=5...(45) HD3 LYS 24 + HE3 LYS 24 OK 34 72 55 86 2.4-3.0 3.0=64, 1.8/559=4...(45) HD3 LYS 12 + HE3 LYS 12 OK 33 62 65 83 2.3-3.0 3.0=63, ~463=14, ~423=13...(18) HD2 LYS 47 + HE2 LYS 47 OK 31 71 50 87 2.3-3.0 3.0=64, 2195/3.8=7...(57) HD2 LYS 13 + HE2 LYS 13 OK 30 67 50 89 2.5-3.0 2.9=66, 3.0/576=8...(50) HD3 LYS 13 + HE3 LYS 13 OK 29 65 50 89 2.5-3.0 2.9=66, 3.0/576=9...(50) HD3 LYS 47 + HE3 LYS 47 OK 28 70 45 87 2.3-3.0 3.0=64, 3.9/2155=7...(58) HG LEU 70 - HE3 LYS 73 far 0 74 0 - 3.5-8.3 HD3 LYS 39 - HE3 LYS 73 far 0 83 0 - 3.6-11.5 HG LEU 70 - HE2 LYS 73 far 0 75 0 - 3.8-8.4 HD2 LYS 39 - HE2 LYS 73 far 0 98 0 - 3.9-12.4 HD2 LYS 39 - HE3 LYS 73 far 0 97 0 - 4.0-12.2 HG2 PRO 86 - HE3 LYS 13 far 0 83 0 - 4.2-9.0 HD3 LYS 20 - HE3 LYS 90 far 0 91 0 - 4.4-8.4 HD3 LYS 39 - HE2 LYS 73 far 0 84 0 - 4.5-11.6 HG12 ILE 15 - HE3 LYS 12 far 0 73 0 - 4.6-8.2 HG3 LYS 20 - HE3 LYS 90 far 0 91 0 - 4.9-8.9 HG2 PRO 86 - HE2 LYS 13 far 0 81 0 - 5.0-9.6 HG3 LYS 20 - HE2 LYS 24 far 0 95 0 - 5.4-11.6 HG2 PRO 86 - HE3 LYS 90 far 0 73 0 - 5.5-7.5 HD2 LYS 20 - HE3 LYS 90 far 0 89 0 - 5.6-8.5 HD3 LYS 20 - HE3 LYS 24 far 0 95 0 - 5.8-12.5 HD3 LYS 20 - HE2 LYS 24 far 0 95 0 - 6.1-12.3 HG3 LYS 20 - HE3 LYS 24 far 0 95 0 - 6.2-11.6 HD3 LYS 12 - HE3 LYS 13 far 0 69 0 - 6.5-10.7 HD2 LYS 20 - HE2 LYS 13 far 0 96 0 - 6.5-12.1 HD3 LYS 66 - HE2 LYS 73 far 0 70 0 - 6.6-10.6 HD2 LYS 20 - HE3 LYS 24 far 0 94 0 - 6.9-12.0 HD3 LYS 66 - HE3 LYS 73 far 0 68 0 - 6.9-10.7 HD2 LYS 24 - HE3 LYS 90 far 0 69 0 - 7.1-11.6 HD2 LYS 12 - HE3 LYS 13 far 0 69 0 - 7.1-11.2 HD2 LYS 12 - HE2 LYS 13 far 0 67 0 - 7.2-12.0 HD3 LYS 24 - HE3 LYS 90 far 0 67 0 - 7.3-10.7 HD3 LYS 13 - HE3 LYS 12 far 0 58 0 - 7.3-11.8 HB3 ARG 91 - HE3 LYS 90 far 0 85 0 - 7.4-8.9 HD3 LYS 90 - HE3 LYS 13 far 0 76 0 - 7.4-13.8 HD3 LYS 12 - HE2 LYS 13 far 0 67 0 - 7.5-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 94 0 - 7.5-11.7 HD3 LYS 20 - HE2 LYS 13 far 0 97 0 - 7.5-13.3 HD2 LYS 20 - HE3 LYS 13 far 0 97 0 - 7.5-11.8 HD3 LYS 20 - HE3 LYS 13 far 0 98 0 - 7.6-13.1 HD2 LYS 13 - HE3 LYS 12 far 0 62 0 - 7.7-11.9 HD2 LYS 13 - HE3 LYS 90 far 0 60 0 - 7.7-13.0 HD3 LYS 13 - HE3 LYS 90 far 0 57 0 - 8.0-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 91 0 - 8.1-13.3 HD3 LYS 20 - HE3 LYS 12 far 0 92 0 - 8.2-14.3 HB ILE 52 - HE3 LYS 47 far 0 76 0 - 8.2-11.2 HG3 LYS 20 - HE3 LYS 12 far 0 92 0 - 8.3-16.0 HD3 LYS 90 - HE2 LYS 13 far 0 75 0 - 8.4-13.0 HB ILE 52 - HE2 LYS 47 far 0 76 0 - 8.5-11.4 HG3 LYS 20 - HE2 LYS 13 far 0 97 0 - 8.6-13.7 HG2 LYS 68 - HE2 LYS 73 far 0 85 0 - 8.9-13.2 HD3 LYS 90 - HE3 LYS 24 far 0 72 0 - 8.9-13.3 HB ILE 76 - HE3 LYS 73 far 0 87 0 - 9.1-12.7 HG2 LYS 68 - HE3 LYS 73 far 0 84 0 - 9.2-12.3 HB2 LEU 2 - HE3 LYS 47 far 0 45 0 - 9.3-13.4 HD3 LYS 68 - HE3 LYS 73 far 0 95 0 - 9.3-14.2 HG3 LYS 20 - HE3 LYS 13 far 0 98 0 - 9.3-14.0 HD2 LYS 68 - HE3 LYS 73 far 0 95 0 - 9.5-14.4 HD3 LYS 90 - HE2 LYS 24 far 0 72 0 - 9.6-13.5 HD2 LYS 68 - HE2 LYS 73 far 0 96 0 - 9.7-14.6 HG12 ILE 15 - HE3 LYS 13 far 0 81 0 - 9.7-12.9 HB2 LEU 2 - HE2 LYS 47 far 0 45 0 - 9.7-13.4 HB ILE 76 - HE2 LYS 73 far 0 88 0 - 9.9-12.4 HB3 LYS 40 - HE2 LYS 47 far 0 68 0 - 9.9-14.0 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 77 assignments used, quality = 1.00: HD2 LYS 73 + HE3 LYS 73 OK 71 100 80 90 2.3-3.0 3.0=71, 3298/4.0=10...(47) * HD3 LYS 73 + HE2 LYS 73 OK 63 100 70 90 2.3-3.0 3.0=71, 3298/4.0=10...(51) HD3 LYS 47 + HE2 LYS 47 OK 56 68 90 92 2.3-3.0 3.0=72, 3.9/2155=7...(59) HD2 LYS 24 + HE3 LYS 24 OK 55 71 85 91 2.3-3.0 3.0=72, 1.8/559=5...(51) HD2 LYS 73 + HE2 LYS 73 OK 54 100 60 89 2.5-3.0 3.0=71, 3298/4.0=10...(47) HD3 LYS 90 + HE3 LYS 90 OK 50 64 90 86 2.2-3.0 3.0=73, 2.9/4005=24...(15) HD3 LYS 73 + HE3 LYS 73 OK 49 100 55 90 2.5-3.0 3.0=71, 3298/4.0=10...(51) HD3 LYS 13 + HE2 LYS 13 OK 47 60 85 93 2.3-3.0 2.9=74, 3.0/576=9...(52) HD2 LYS 47 + HE3 LYS 47 OK 41 69 65 91 2.3-3.0 3.0=72, 2195/3.8=8...(58) HD2 LYS 13 + HE3 LYS 13 OK 39 65 65 93 2.3-3.0 2.9=74, 3.0/576=10...(52) HD2 LYS 12 + HE3 LYS 12 OK 39 58 75 89 2.3-3.0 3.0=71, ~463=16, ~423=15...(25) HD2 LYS 47 + HE2 LYS 47 OK 38 69 60 92 2.3-3.0 3.0=72, 2195/3.8=8...(58) HD3 LYS 24 + HE2 LYS 24 OK 38 69 60 91 2.3-3.0 3.0=72, 3.0/1092=5...(51) HD2 LYS 24 + HE2 LYS 24 OK 35 71 55 91 2.4-3.0 3.0=72, 3.0/1092=5...(51) HD3 LYS 24 + HE3 LYS 24 OK 34 69 55 91 2.4-3.0 3.0=72, 1.8/559=5...(51) HD3 LYS 47 + HE3 LYS 47 OK 34 68 55 91 2.3-3.0 3.0=72, 3.9/2154=7...(59) HD3 LYS 12 + HE3 LYS 12 OK 34 58 65 89 2.3-3.0 3.0=71, ~463=16, ~423=15...(26) HD2 LYS 13 + HE2 LYS 13 OK 29 63 50 93 2.5-3.0 2.9=74, 3.0/576=9...(52) HD3 LYS 13 + HE3 LYS 13 OK 28 61 50 93 2.5-3.0 2.9=74, 3.0/576=10...(52) HG LEU 70 - HE3 LYS 73 far 0 70 0 - 3.5-8.3 HD3 LYS 39 - HE3 LYS 73 far 0 86 0 - 3.6-11.5 HG LEU 70 - HE2 LYS 73 far 0 71 0 - 3.8-8.4 HD2 LYS 39 - HE2 LYS 73 far 0 99 0 - 3.9-12.4 HD2 LYS 39 - HE3 LYS 73 far 0 98 0 - 4.0-12.2 HG2 PRO 86 - HE3 LYS 13 far 0 80 0 - 4.2-9.0 HD3 LYS 20 - HE3 LYS 90 far 0 90 0 - 4.4-8.4 HD3 LYS 39 - HE2 LYS 73 far 0 87 0 - 4.5-11.6 HG12 ILE 15 - HE3 LYS 12 far 0 70 0 - 4.6-8.2 HG3 LYS 20 - HE3 LYS 90 far 0 90 0 - 4.9-8.9 HG2 PRO 86 - HE2 LYS 13 far 0 78 0 - 5.0-9.6 HG3 LYS 20 - HE2 LYS 24 far 0 95 0 - 5.4-11.6 HG2 PRO 86 - HE3 LYS 90 far 0 70 0 - 5.5-7.5 HD2 LYS 20 - HE3 LYS 90 far 0 88 0 - 5.6-8.5 HD3 LYS 20 - HE3 LYS 24 far 0 95 0 - 5.8-12.5 HD3 LYS 20 - HE2 LYS 24 far 0 95 0 - 6.1-12.3 HG3 LYS 20 - HE3 LYS 24 far 0 95 0 - 6.2-11.6 HD3 LYS 12 - HE3 LYS 13 far 0 65 0 - 6.5-10.7 HD2 LYS 20 - HE2 LYS 13 far 0 95 0 - 6.5-12.1 HD3 LYS 66 - HE2 LYS 73 far 0 65 0 - 6.6-10.6 HD2 LYS 20 - HE3 LYS 24 far 0 93 0 - 6.9-12.0 HD3 LYS 66 - HE3 LYS 73 far 0 64 0 - 6.9-10.7 HD2 LYS 24 - HE3 LYS 90 far 0 65 0 - 7.1-11.6 HD2 LYS 12 - HE3 LYS 13 far 0 65 0 - 7.1-11.2 HD2 LYS 12 - HE2 LYS 13 far 0 63 0 - 7.2-12.0 HD3 LYS 24 - HE3 LYS 90 far 0 64 0 - 7.3-10.7 HD3 LYS 13 - HE3 LYS 12 far 0 54 0 - 7.3-11.8 HB3 ARG 91 - HE3 LYS 90 far 0 83 0 - 7.4-8.9 HD3 LYS 90 - HE3 LYS 13 far 0 73 0 - 7.4-13.8 HD3 LYS 12 - HE2 LYS 13 far 0 63 0 - 7.5-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 93 0 - 7.5-11.7 HD3 LYS 20 - HE2 LYS 13 far 0 96 0 - 7.5-13.3 HD2 LYS 20 - HE3 LYS 13 far 0 96 0 - 7.5-11.8 HD3 LYS 20 - HE3 LYS 13 far 0 98 0 - 7.6-13.1 HD2 LYS 13 - HE3 LYS 12 far 0 58 0 - 7.7-11.9 HD2 LYS 13 - HE3 LYS 90 far 0 57 0 - 7.7-13.0 HD3 LYS 13 - HE3 LYS 90 far 0 53 0 - 8.0-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 89 0 - 8.1-13.3 HD3 LYS 20 - HE3 LYS 12 far 0 91 0 - 8.2-14.3 HB ILE 52 - HE3 LYS 47 far 0 75 0 - 8.2-11.2 HG3 LYS 20 - HE3 LYS 12 far 0 91 0 - 8.3-16.0 HD3 LYS 90 - HE2 LYS 13 far 0 71 0 - 8.4-13.0 HB ILE 52 - HE2 LYS 47 far 0 75 0 - 8.5-11.4 HG3 LYS 20 - HE2 LYS 13 far 0 96 0 - 8.6-13.7 HG2 LYS 68 - HE2 LYS 73 far 0 88 0 - 8.9-13.2 HD3 LYS 90 - HE3 LYS 24 far 0 69 0 - 8.9-13.3 HB ILE 76 - HE3 LYS 73 far 0 89 0 - 9.1-12.7 HG2 LYS 68 - HE3 LYS 73 far 0 87 0 - 9.2-12.3 HB2 LEU 2 - HE3 LYS 47 far 0 42 0 - 9.3-13.4 HD3 LYS 68 - HE3 LYS 73 far 0 96 0 - 9.3-14.2 HG3 LYS 20 - HE3 LYS 13 far 0 98 0 - 9.3-14.0 HD2 LYS 68 - HE3 LYS 73 far 0 97 0 - 9.5-14.4 HD3 LYS 90 - HE2 LYS 24 far 0 69 0 - 9.6-13.5 HD2 LYS 68 - HE2 LYS 73 far 0 98 0 - 9.7-14.6 HG12 ILE 15 - HE3 LYS 13 far 0 78 0 - 9.7-12.9 HB2 LEU 2 - HE2 LYS 47 far 0 42 0 - 9.7-13.4 HB ILE 76 - HE2 LYS 73 far 0 91 0 - 9.9-12.4 HB3 LYS 40 - HE2 LYS 47 far 0 66 0 - 9.9-14.0 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; 4.99 A increased from 4.69 A): 6 out of 16 assignments used, quality = 1.00: HA LYS 13 + HE3 LYS 13 OK 79 88 90 100 2.5-6.1 486/3.8=75, 518/3.8=65...(50) HA LYS 73 + HE2 LYS 73 OK 70 100 70 100 3.2-5.9 3232/4.0=51, 6.7=42...(63) HA LYS 13 + HE2 LYS 13 OK 68 85 80 100 2.1-6.0 486/3.8=75, 518/3.8=65...(50) * HA LYS 73 + HE3 LYS 73 OK 50 100 50 100 2.8-6.4 3232/4.0=51, 6.7=42...(64) HA LYS 47 + HE3 LYS 47 OK 39 44 90 100 2.3-6.1 6.3=50, 2126/3.8=42...(80) HA LYS 47 + HE2 LYS 47 OK 26 44 60 100 2.3-6.0 6.3=50, 2126/3.8=42...(79) HA GLU 23 - HE3 LYS 24 far 4 72 5 - 4.4-10.2 HA GLU 98 - HE2 LYS 94 far 3 61 5 - 5.2-11.1 HA LYS 13 - HE3 LYS 12 far 0 76 0 - 5.8-9.0 HA GLU 23 - HE2 LYS 24 far 0 72 0 - 5.9-10.3 HA GLN 72 - HE3 LYS 73 far 0 95 0 - 6.9-9.6 HA GLN 72 - HE2 LYS 73 far 0 94 0 - 7.4-9.5 HB3 SER 85 - HE3 LYS 90 far 0 88 0 - 8.0-9.5 HA LYS 13 - HE3 LYS 90 far 0 90 0 - 8.1-11.0 HB3 SER 85 - HE3 LYS 13 far 0 86 0 - 8.8-13.2 HB3 SER 85 - HE2 LYS 13 far 0 83 0 - 9.3-13.0 Violated in 0 structures by 0.00 A. Peak 3317 from cnoeabs.peaks (1.96, 2.95, 41.80 ppm; 3.79 A): 13 out of 45 assignments used, quality = 1.00: HB3 LYS 73 + HE2 LYS 73 OK 89 100 90 99 2.5-4.3 4.9=46, 3.0/3236=14...(104) HB2 GLU 17 + HE3 LYS 90 OK 80 91 90 97 2.1-4.1 3.0/9045=42...(20) HB3 LYS 73 + HE3 LYS 73 OK 75 100 75 100 2.4-4.5 4.9=46, 1069/1.8=12...(106) HB2 LYS 47 + HE3 LYS 47 OK 56 59 95 100 2.0-4.7 4.9=47, 1.8/2155=22...(105) HB2 LYS 47 + HE2 LYS 47 OK 50 59 85 100 2.0-4.6 4.9=47, ~2155=22...(105) * HB2 LYS 73 + HE3 LYS 73 OK 45 100 45 100 2.7-5.1 4.9=46, 7205/7.0=16...(119) HB2 LYS 73 + HE2 LYS 73 OK 45 100 45 100 2.3-5.3 4.9=46, 7205/7.0=16...(117) HB2 LYS 24 + HE2 LYS 24 OK 31 90 35 99 3.1-5.1 4.9=45, 1120/3.0=15...(96) HB2 LYS 24 + HE3 LYS 24 OK 27 90 30 100 2.4-5.0 4.9=45, ~12306=35...(95) HB3 LYS 47 + HE3 LYS 47 OK 24 38 65 100 2.1-4.8 4.9=47, 2155/1.8=18...(116) HB3 LYS 24 + HE3 LYS 24 OK 22 90 25 100 2.2-5.5 4.9=45, ~12306=35...(99) HB3 LYS 24 + HE2 LYS 24 OK 22 90 25 99 2.6-4.8 4.9=45, 1097/3.7=12...(98) HB2 LYS 94 + HE2 LYS 94 OK 21 39 55 96 2.0-5.1 4.8=50, 1.8/4205=22...(31) HB3 LYS 47 - HE2 LYS 47 poor 19 38 50 - 2.7-5.0 HB2 ARG 46 - HE3 LYS 47 far 0 55 0 - 4.1-9.5 HB3 LYS 20 - HE2 LYS 24 far 0 75 0 - 4.4-9.6 HB3 LYS 20 - HE3 LYS 24 far 0 75 0 - 4.6-9.9 HB3 ARG 46 - HE3 LYS 47 far 0 63 0 - 4.6-8.3 HB3 MET 74 - HE3 LYS 73 far 0 100 0 - 5.1-10.0 HB3 LYS 20 - HE3 LYS 90 far 0 83 0 - 5.2-7.6 HB2 LYS 94 - HE2 LYS 24 far 0 55 0 - 5.4-12.9 HB2 ARG 46 - HE2 LYS 47 far 0 55 0 - 5.6-9.7 HB3 ARG 46 - HE2 LYS 47 far 0 63 0 - 6.1-8.5 HB3 MET 74 - HE2 LYS 73 far 0 99 0 - 6.5-9.9 HB3 LYS 24 - HE2 LYS 94 far 0 67 0 - 6.6-10.6 HB3 ARG 19 - HE3 LYS 12 far 0 62 0 - 6.6-11.9 HB2 GLU 17 - HE3 LYS 13 far 0 89 0 - 6.7-11.6 HB2 LYS 94 - HE3 LYS 24 far 0 55 0 - 7.1-13.1 HB2 GLU 17 - HE2 LYS 13 far 0 86 0 - 7.5-11.7 HB2 LYS 24 - HE2 LYS 94 far 0 67 0 - 7.7-10.8 HB3 ARG 19 - HE3 LYS 24 far 0 67 0 - 8.2-13.6 HB2 LYS 94 - HE3 LYS 90 far 0 63 0 - 8.3-10.7 HB2 GLU 17 - HE3 LYS 24 far 0 83 0 - 8.3-12.9 HB2 LYS 24 - HE3 LYS 90 far 0 97 0 - 8.4-9.8 HB3 ARG 19 - HE3 LYS 90 far 0 75 0 - 8.8-10.2 HB2 GLU 17 - HE2 LYS 24 far 0 83 0 - 9.0-12.7 HB3 ARG 19 - HE2 LYS 24 far 0 67 0 - 9.2-13.7 HB3 LYS 24 - HE3 LYS 90 far 0 97 0 - 9.3-10.9 HB3 ARG 19 - HE2 LYS 13 far 0 70 0 - 9.4-14.5 HB3 LYS 20 - HE2 LYS 13 far 0 78 0 - 9.4-14.2 HG3 GLU 88 - HE3 LYS 90 far 0 93 0 - 9.5-10.9 HB3 LYS 20 - HE3 LYS 13 far 0 81 0 - 9.6-14.5 HB3 ARG 19 - HE3 LYS 13 far 0 73 0 - 9.8-14.5 HB3 LYS 20 - HE3 LYS 12 far 0 69 0 - 9.9-16.5 HB2 GLU 17 - HE3 LYS 12 far 0 77 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 3318 from cnoeabs.peaks (1.96, 2.95, 41.80 ppm; 3.79 A): 13 out of 46 assignments used, quality = 1.00: HB3 LYS 73 + HE2 LYS 73 OK 89 100 90 99 2.5-4.3 4.9=46, 3.0/3236=14...(104) HB2 GLU 17 + HE3 LYS 90 OK 80 92 90 97 2.1-4.1 3.0/9045=42...(20) * HB3 LYS 73 + HE3 LYS 73 OK 75 100 75 100 2.4-4.5 4.9=46, 1069/1.8=12...(106) HB2 LYS 47 + HE3 LYS 47 OK 56 59 95 100 2.0-4.7 4.9=47, 1.8/2155=22...(105) HB2 LYS 47 + HE2 LYS 47 OK 50 59 85 100 2.0-4.6 4.9=47, ~2155=22...(105) HB2 LYS 73 + HE3 LYS 73 OK 45 100 45 100 2.7-5.1 4.9=46, 7206/7.0=16...(119) HB2 LYS 73 + HE2 LYS 73 OK 45 100 45 100 2.3-5.3 4.9=46, 7206/7.0=16...(117) HB2 LYS 24 + HE2 LYS 24 OK 31 89 35 99 3.1-5.1 4.9=45, 1120/3.0=15...(96) HB2 LYS 24 + HE3 LYS 24 OK 27 89 30 100 2.4-5.0 4.9=45, ~12306=35...(95) HB3 LYS 47 + HE3 LYS 47 OK 25 39 65 100 2.1-4.8 4.9=47, 2155/1.8=19...(116) HB3 LYS 24 + HE3 LYS 24 OK 22 89 25 100 2.2-5.5 4.9=45, ~12306=35...(99) HB3 LYS 24 + HE2 LYS 24 OK 22 89 25 99 2.6-4.8 4.9=45, 1098/3.7=12...(98) HB2 LYS 94 + HE2 LYS 94 OK 21 40 55 97 2.0-5.1 4.8=50, 1.8/4205=22...(31) HB3 LYS 47 - HE2 LYS 47 poor 19 39 50 - 2.7-5.0 HB2 ARG 46 - HE3 LYS 47 far 0 54 0 - 4.1-9.5 HB3 LYS 20 - HE2 LYS 24 far 0 76 0 - 4.4-9.6 HB3 LYS 20 - HE3 LYS 24 far 0 76 0 - 4.6-9.9 HB3 ARG 46 - HE3 LYS 47 far 0 63 0 - 4.6-8.3 HB3 MET 74 - HE3 LYS 73 far 0 100 0 - 5.1-10.0 HB3 LYS 20 - HE3 LYS 90 far 0 84 0 - 5.2-7.6 HB2 LYS 94 - HE2 LYS 24 far 0 57 0 - 5.4-12.9 HB2 ARG 46 - HE2 LYS 47 far 0 54 0 - 5.6-9.7 HB3 ARG 46 - HE2 LYS 47 far 0 63 0 - 6.1-8.5 HB3 MET 74 - HE2 LYS 73 far 0 99 0 - 6.5-9.9 HB3 LYS 24 - HE2 LYS 94 far 0 67 0 - 6.6-10.6 HB3 ARG 19 - HE3 LYS 12 far 0 63 0 - 6.6-11.9 HB2 GLU 17 - HE3 LYS 13 far 0 90 0 - 6.7-11.6 HB2 LYS 94 - HE3 LYS 24 far 0 57 0 - 7.1-13.1 HB2 GLU 17 - HE2 LYS 13 far 0 87 0 - 7.5-11.7 HB2 LYS 24 - HE2 LYS 94 far 0 67 0 - 7.7-10.8 HB3 ARG 19 - HE3 LYS 24 far 0 69 0 - 8.2-13.6 HB2 LYS 94 - HE3 LYS 90 far 0 64 0 - 8.3-10.7 HB2 GLU 17 - HE3 LYS 24 far 0 84 0 - 8.3-12.9 HB2 LYS 24 - HE3 LYS 90 far 0 97 0 - 8.4-9.8 HB3 ARG 19 - HE3 LYS 90 far 0 77 0 - 8.8-10.2 HB2 GLU 17 - HE2 LYS 24 far 0 84 0 - 9.0-12.7 HB3 ARG 19 - HE2 LYS 24 far 0 69 0 - 9.2-13.7 HB2 LYS 33 - HE3 LYS 12 far 0 44 0 - 9.2-12.5 HB3 LYS 24 - HE3 LYS 90 far 0 97 0 - 9.3-10.9 HB3 ARG 19 - HE2 LYS 13 far 0 72 0 - 9.4-14.5 HB3 LYS 20 - HE2 LYS 13 far 0 79 0 - 9.4-14.2 HG3 GLU 88 - HE3 LYS 90 far 0 93 0 - 9.5-10.9 HB3 LYS 20 - HE3 LYS 13 far 0 82 0 - 9.6-14.5 HB3 ARG 19 - HE3 LYS 13 far 0 75 0 - 9.8-14.5 HB3 LYS 20 - HE3 LYS 12 far 0 70 0 - 9.9-16.5 HB2 GLU 17 - HE3 LYS 12 far 0 78 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 3319 from cnoeabs.peaks (1.49, 2.95, 41.80 ppm; 3.70 A increased from 3.48 A): 8 out of 37 assignments used, quality = 1.00: HG3 LYS 13 + HE3 LYS 13 OK 90 95 95 100 2.1-4.2 3.8=91, 486/6.0=23...(72) * HG2 LYS 73 + HE3 LYS 73 OK 90 100 90 100 2.2-4.1 4.0=79, 3297/3.0=17...(109) HG2 LYS 73 + HE2 LYS 73 OK 90 100 90 100 2.1-4.2 4.0=79, 3297/3.0=17...(110) HG3 LYS 13 + HE2 LYS 13 OK 88 93 95 100 2.3-4.1 3.8=91, 486/6.0=23...(73) HG3 LYS 24 + HE2 LYS 24 OK 83 83 100 100 2.2-4.0 3.7=98, 1096/6.2=19...(104) HG3 LYS 24 + HE3 LYS 24 OK 79 83 95 100 2.3-4.2 3.7=98, 1096/6.2=19...(102) HG2 LYS 47 + HE3 LYS 47 OK 63 63 100 100 2.4-3.9 3.8=94, 3.0/2154=17...(121) HG2 LYS 47 + HE2 LYS 47 OK 44 63 70 100 2.3-4.2 3.8=94, 6772/6.6=17...(126) HB2 ARG 91 - HE2 LYS 94 far 3 67 5 - 3.7-9.3 HG2 LYS 20 - HE3 LYS 24 far 0 55 0 - 5.3-10.7 HG3 LYS 13 - HE3 LYS 12 far 0 84 0 - 5.4-9.4 HG2 LYS 20 - HE3 LYS 90 far 0 63 0 - 5.5-9.1 HG2 LYS 20 - HE2 LYS 24 far 0 55 0 - 5.8-10.7 HG3 LYS 24 - HE2 LYS 94 far 0 61 0 - 6.1-13.0 HB2 LEU 14 - HE3 LYS 13 far 0 70 0 - 6.4-9.1 HB2 ARG 91 - HE3 LYS 90 far 0 97 0 - 6.4-8.4 HB2 LEU 14 - HE2 LYS 13 far 0 67 0 - 6.9-9.5 HG3 LYS 33 - HE3 LYS 12 far 0 81 0 - 7.4-10.5 HB2 LEU 14 - HE3 LYS 12 far 0 59 0 - 8.3-11.4 HB2 LEU 27 - HE3 LYS 24 far 0 55 0 - 8.5-12.9 HB2 LEU 14 - HE3 LYS 90 far 0 72 0 - 8.5-10.0 HG3 LYS 66 - HE2 LYS 73 far 0 100 0 - 8.6-12.8 HB2 LEU 38 - HE2 LYS 73 far 0 62 0 - 8.6-14.9 HG3 LYS 66 - HE3 LYS 73 far 0 100 0 - 8.7-13.0 HG2 LYS 66 - HE2 LYS 73 far 0 100 0 - 8.8-13.2 HG3 LYS 24 - HE3 LYS 90 far 0 91 0 - 8.9-11.4 HB ILE 7 - HE3 LYS 12 far 0 59 0 - 8.9-13.3 HG13 ILE 52 - HE2 LYS 47 far 0 35 0 - 8.9-12.3 HB2 LEU 38 - HE3 LYS 73 far 0 63 0 - 8.9-14.7 HG2 LYS 20 - HE2 LYS 13 far 0 58 0 - 9.0-14.4 HG13 ILE 52 - HE3 LYS 47 far 0 35 0 - 9.0-12.3 HG2 LYS 66 - HE3 LYS 73 far 0 100 0 - 9.0-13.0 HG LEU 38 - HE3 LYS 73 far 0 71 0 - 9.5-14.2 HG2 LYS 20 - HE3 LYS 13 far 0 60 0 - 9.7-14.3 HG2 LYS 20 - HE3 LYS 12 far 0 51 0 - 9.8-15.0 HG LEU 38 - HE2 LYS 73 far 0 70 0 - 9.9-14.2 HG LEU 2 - HE3 LYS 47 far 0 49 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 3320 from cnoeabs.peaks (1.60, 2.95, 41.80 ppm; 2.79 A): 8 out of 33 assignments used, quality = 0.99: HG3 LYS 90 + HE3 LYS 90 OK 80 93 100 86 2.2-2.9 3.8=40, 1.8/4005=39...(15) HD3 LYS 94 + HE2 LYS 94 OK 65 68 100 95 2.3-3.0 3.0=85, 3.5/4205=8...(32) HD2 LYS 94 + HE2 LYS 94 OK 48 50 100 95 2.4-3.0 3.0=85, 3.5/4205=8...(25) HG2 LYS 24 + HE2 LYS 24 OK 39 86 50 90 2.3-3.8 3.7=42, 1121/3.0=9...(69) HG3 LYS 12 + HE3 LYS 12 OK 37 84 50 88 2.2-3.9 4.0=35, ~463=27, ~423=24...(29) HG2 LYS 24 + HE3 LYS 24 OK 31 86 40 90 2.1-3.9 3.7=42, 1121/3.0=9...(69) HG3 LYS 47 + HE3 LYS 47 OK 29 48 65 94 2.2-4.2 3.8=41, 2195/3.0=10...(71) * HG3 LYS 73 + HE3 LYS 73 OK 28 100 30 92 2.1-4.2 4.0=34, 3298/3.0=18...(70) HG3 LYS 73 - HE2 LYS 73 poor 20 100 20 - 2.1-4.2 HG3 LYS 47 - HE2 LYS 47 far 7 48 15 - 2.5-3.9 HG2 ARG 19 - HE3 LYS 12 far 0 80 0 - 5.2-12.1 HD2 LYS 94 - HE3 LYS 90 far 0 78 0 - 5.8-11.6 HD2 LYS 94 - HE2 LYS 24 far 0 70 0 - 5.9-11.9 HG3 LYS 12 - HE3 LYS 13 far 0 95 0 - 6.0-10.1 HG3 LYS 90 - HE3 LYS 24 far 0 85 0 - 6.3-10.6 HD2 LYS 94 - HE3 LYS 24 far 0 70 0 - 6.5-12.2 HD3 LYS 94 - HE3 LYS 90 far 0 97 0 - 6.8-11.7 HG3 LYS 90 - HE2 LYS 24 far 0 85 0 - 7.0-10.9 HD2 LYS 66 - HE3 LYS 73 far 0 100 0 - 7.1-11.8 HD2 LYS 66 - HE2 LYS 73 far 0 100 0 - 7.2-11.5 HG3 LYS 12 - HE2 LYS 13 far 0 93 0 - 7.3-10.3 HG2 LYS 24 - HE2 LYS 94 far 0 64 0 - 7.3-12.8 HD3 LYS 94 - HE2 LYS 24 far 0 90 0 - 7.4-13.6 HD3 LYS 94 - HE3 LYS 24 far 0 90 0 - 7.5-13.8 HG3 LYS 90 - HE2 LYS 94 far 0 63 0 - 8.1-11.2 HB3 LEU 29 - HE3 LYS 24 far 0 90 0 - 8.9-14.2 HG LEU 27 - HE2 LYS 94 far 0 68 0 - 9.0-13.6 HG LEU 27 - HE3 LYS 24 far 0 90 0 - 9.0-12.2 HG2 LYS 24 - HE3 LYS 90 far 0 94 0 - 9.0-11.8 HG3 LYS 90 - HE3 LYS 13 far 0 90 0 - 9.3-14.3 HG2 ARG 19 - HE3 LYS 90 far 0 93 0 - 9.3-11.7 HG2 ARG 19 - HE3 LYS 24 far 0 85 0 - 9.7-15.6 HG LEU 27 - HE2 LYS 24 far 0 90 0 - 9.9-12.2 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 81 assignments used, quality = 1.00: HD3 LYS 73 + HE3 LYS 73 OK 94 100 100 94 2.5-3.0 3.0=80, 3298/4.0=11...(52) * HD2 LYS 73 + HE3 LYS 73 OK 94 100 100 94 2.3-3.0 3.0=80, 3298/4.0=11...(48) HD3 LYS 73 + HE2 LYS 73 OK 94 100 100 94 2.3-3.0 3.0=80, 3298/4.0=11...(52) HD2 LYS 73 + HE2 LYS 73 OK 93 100 100 94 2.5-3.0 3.0=80, 3298/4.0=11...(48) HD3 LYS 90 + HE3 LYS 90 OK 69 74 100 93 2.2-3.0 3.0=83, 2.9/4005=30...(16) HD2 LYS 24 + HE3 LYS 24 OK 64 67 100 95 2.3-3.0 3.0=82, 1.8/559=5...(55) HD2 LYS 24 + HE2 LYS 24 OK 64 67 100 95 2.4-3.0 3.0=82, 3.0/1092=5...(55) HD3 LYS 24 + HE3 LYS 24 OK 62 65 100 95 2.4-3.0 3.0=82, 1.8/559=5...(55) HD3 LYS 24 + HE2 LYS 24 OK 62 65 100 95 2.3-3.0 3.0=82, 3.0/1092=5...(55) HD2 LYS 13 + HE3 LYS 13 OK 62 64 100 96 2.3-3.0 2.9=84, 3.0/576=10...(52) HD2 LYS 13 + HE2 LYS 13 OK 59 62 100 96 2.5-3.0 2.9=84, 3.0/576=9...(52) HD3 LYS 13 + HE3 LYS 13 OK 58 60 100 96 2.5-3.0 2.9=84, 3.0/576=10...(52) HD3 LYS 13 + HE2 LYS 13 OK 56 58 100 96 2.3-3.0 2.9=84, 3.0/576=9...(52) HD2 LYS 47 + HE2 LYS 47 OK 56 58 100 96 2.3-3.0 3.0=82, 2195/3.8=9...(67) HD2 LYS 47 + HE3 LYS 47 OK 55 58 100 95 2.3-3.0 3.0=82, 2195/3.8=9...(66) HD3 LYS 47 + HE2 LYS 47 OK 55 58 100 96 2.3-3.0 3.0=82, 3.9/2155=7...(67) HD3 LYS 47 + HE3 LYS 47 OK 55 58 100 95 2.3-3.0 3.0=82, 3.9/2155=7...(67) HD3 LYS 12 + HE3 LYS 12 OK 50 54 100 94 2.3-3.0 3.0=81, ~463=17, ~423=16...(29) HD2 LYS 12 + HE3 LYS 12 OK 50 54 100 93 2.3-3.0 3.0=81, ~463=17, ~423=16...(27) HG LEU 70 - HE3 LYS 73 far 0 75 0 - 3.5-8.3 HD3 LYS 39 - HE3 LYS 73 far 0 84 0 - 3.6-11.5 HG LEU 70 - HE2 LYS 73 far 0 74 0 - 3.8-8.4 HD2 LYS 39 - HE2 LYS 73 far 0 97 0 - 3.9-12.4 HD2 LYS 39 - HE3 LYS 73 far 0 98 0 - 4.0-12.2 HG2 PRO 86 - HE3 LYS 13 far 0 78 0 - 4.2-9.0 HD3 LYS 20 - HE3 LYS 90 far 0 96 0 - 4.4-8.4 HD3 LYS 39 - HE2 LYS 73 far 0 83 0 - 4.5-11.6 HG12 ILE 15 - HE3 LYS 12 far 0 65 0 - 4.6-8.2 HG3 LYS 20 - HE3 LYS 90 far 0 96 0 - 4.9-8.9 HG2 PRO 86 - HE2 LYS 13 far 0 75 0 - 5.0-9.6 HB3 ARG 91 - HE2 LYS 94 far 0 62 0 - 5.1-10.1 HG3 LYS 20 - HE2 LYS 24 far 0 89 0 - 5.4-11.6 HG2 PRO 86 - HE3 LYS 90 far 0 80 0 - 5.5-7.5 HD2 LYS 20 - HE3 LYS 90 far 0 95 0 - 5.6-8.5 HD3 LYS 24 - HE2 LYS 94 far 0 47 0 - 5.7-12.3 HD3 LYS 20 - HE3 LYS 24 far 0 89 0 - 5.8-12.5 HD3 LYS 20 - HE2 LYS 24 far 0 89 0 - 6.1-12.3 HG3 LYS 20 - HE3 LYS 24 far 0 89 0 - 6.2-11.6 HD3 LYS 12 - HE3 LYS 13 far 0 64 0 - 6.5-10.7 HD2 LYS 20 - HE2 LYS 13 far 0 91 0 - 6.5-12.1 HD3 LYS 66 - HE2 LYS 73 far 0 68 0 - 6.6-10.6 HD2 LYS 20 - HE3 LYS 24 far 0 87 0 - 6.9-12.0 HD2 LYS 24 - HE2 LYS 94 far 0 48 0 - 6.9-12.9 HD3 LYS 66 - HE3 LYS 73 far 0 70 0 - 6.9-10.7 HD2 LYS 24 - HE3 LYS 90 far 0 75 0 - 7.1-11.6 HD2 LYS 12 - HE3 LYS 13 far 0 64 0 - 7.1-11.2 HD2 LYS 12 - HE2 LYS 13 far 0 62 0 - 7.2-12.0 HD3 LYS 24 - HE3 LYS 90 far 0 74 0 - 7.3-10.7 HD3 LYS 13 - HE3 LYS 12 far 0 51 0 - 7.3-11.8 HB3 ARG 91 - HE3 LYS 90 far 0 92 0 - 7.4-8.9 HD3 LYS 90 - HE3 LYS 13 far 0 71 0 - 7.4-13.8 HD3 LYS 12 - HE2 LYS 13 far 0 62 0 - 7.5-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 87 0 - 7.5-11.7 HD3 LYS 20 - HE2 LYS 13 far 0 92 0 - 7.5-13.3 HD2 LYS 20 - HE3 LYS 13 far 0 93 0 - 7.5-11.8 HD3 LYS 20 - HE3 LYS 13 far 0 94 0 - 7.6-13.1 HD2 LYS 13 - HE3 LYS 12 far 0 54 0 - 7.7-11.9 HD2 LYS 13 - HE3 LYS 90 far 0 66 0 - 7.7-13.0 HD3 LYS 13 - HE3 LYS 90 far 0 63 0 - 8.0-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 82 0 - 8.1-13.3 HD3 LYS 20 - HE3 LYS 12 far 0 83 0 - 8.2-14.3 HB ILE 52 - HE3 LYS 47 far 0 63 0 - 8.2-11.2 HG3 LYS 20 - HE3 LYS 12 far 0 83 0 - 8.3-16.0 HD3 LYS 90 - HE2 LYS 13 far 0 69 0 - 8.4-13.0 HB ILE 52 - HE2 LYS 47 far 0 63 0 - 8.5-11.4 HG3 LYS 20 - HE2 LYS 13 far 0 92 0 - 8.6-13.7 HG2 LYS 68 - HE2 LYS 73 far 0 84 0 - 8.9-13.2 HD3 LYS 90 - HE3 LYS 24 far 0 65 0 - 8.9-13.3 HD3 LYS 90 - HE2 LYS 94 far 0 47 0 - 9.0-13.0 HB ILE 76 - HE3 LYS 73 far 0 88 0 - 9.1-12.7 HG2 LYS 68 - HE3 LYS 73 far 0 85 0 - 9.2-12.3 HB2 LEU 2 - HE3 LYS 47 far 0 36 0 - 9.3-13.4 HD3 LYS 68 - HE3 LYS 73 far 0 96 0 - 9.3-14.2 HG3 LYS 20 - HE3 LYS 13 far 0 94 0 - 9.3-14.0 HD2 LYS 68 - HE3 LYS 73 far 0 96 0 - 9.5-14.4 HD3 LYS 90 - HE2 LYS 24 far 0 65 0 - 9.6-13.5 HD2 LYS 68 - HE2 LYS 73 far 0 95 0 - 9.7-14.6 HG12 ILE 15 - HE3 LYS 13 far 0 76 0 - 9.7-12.9 HB2 LEU 2 - HE2 LYS 47 far 0 36 0 - 9.7-13.4 HB ILE 76 - HE2 LYS 73 far 0 87 0 - 9.9-12.4 HB3 LYS 40 - HE2 LYS 47 far 0 56 0 - 9.9-14.0 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 81 assignments used, quality = 1.00: HD2 LYS 73 + HE3 LYS 73 OK 82 100 90 91 2.3-3.0 3.0=74, 3298/4.0=10...(47) HD3 LYS 73 + HE2 LYS 73 OK 82 100 90 91 2.3-3.0 3.0=74, 3298/4.0=11...(51) * HD3 LYS 73 + HE3 LYS 73 OK 69 100 75 91 2.5-3.0 3.0=74, 3298/4.0=11...(51) HD2 LYS 73 + HE2 LYS 73 OK 68 100 75 91 2.5-3.0 3.0=74, 3298/4.0=10...(47) HD3 LYS 90 + HE3 LYS 90 OK 63 70 100 89 2.2-3.0 3.0=76, 2.9/4005=28...(15) HD2 LYS 24 + HE3 LYS 24 OK 53 64 90 92 2.3-3.0 3.0=76, 1.8/559=5...(53) HD2 LYS 13 + HE3 LYS 13 OK 51 60 90 94 2.3-3.0 2.9=78, 3.0/576=10...(52) HD2 LYS 24 + HE2 LYS 24 OK 50 64 85 92 2.4-3.0 3.0=76, 3.0/1092=5...(53) HD3 LYS 47 + HE2 LYS 47 OK 50 56 95 93 2.3-3.0 3.0=76, 3.9/2155=6...(63) HD3 LYS 24 + HE2 LYS 24 OK 49 62 85 92 2.3-3.0 3.0=76, 3.0/1092=5...(53) HD3 LYS 13 + HE2 LYS 13 OK 48 54 95 94 2.3-3.0 2.9=78, 3.0/576=9...(52) HD2 LYS 47 + HE3 LYS 47 OK 42 57 80 93 2.3-3.0 3.0=76, 2195/3.8=8...(62) HD3 LYS 24 + HE3 LYS 24 OK 40 62 70 92 2.4-3.0 3.0=76, 1.8/559=5...(53) HD2 LYS 47 + HE2 LYS 47 OK 40 57 75 93 2.3-3.0 3.0=76, 2195/3.8=8...(61) HD2 LYS 12 + HE3 LYS 12 OK 39 51 85 90 2.3-3.0 3.0=75, ~463=16, ~423=15...(25) HD2 LYS 13 + HE2 LYS 13 OK 38 58 70 94 2.5-3.0 2.9=78, 3.0/576=9...(52) HD3 LYS 13 + HE3 LYS 13 OK 37 57 70 94 2.5-3.0 2.9=78, 3.0/576=10...(52) HD3 LYS 12 + HE3 LYS 12 OK 37 51 80 91 2.3-3.0 3.0=75, ~463=16, ~423=15...(26) HD3 LYS 47 + HE3 LYS 47 OK 34 56 65 93 2.3-3.0 3.0=76, 3.9/2155=7...(63) HG LEU 70 - HE3 LYS 73 far 0 71 0 - 3.5-8.3 HD3 LYS 39 - HE3 LYS 73 far 0 87 0 - 3.6-11.5 HG LEU 70 - HE2 LYS 73 far 0 70 0 - 3.8-8.4 HD2 LYS 39 - HE2 LYS 73 far 0 98 0 - 3.9-12.4 HD2 LYS 39 - HE3 LYS 73 far 0 99 0 - 4.0-12.2 HG2 PRO 86 - HE3 LYS 13 far 0 75 0 - 4.2-9.0 HD3 LYS 20 - HE3 LYS 90 far 0 96 0 - 4.4-8.4 HD3 LYS 39 - HE2 LYS 73 far 0 86 0 - 4.5-11.6 HG12 ILE 15 - HE3 LYS 12 far 0 62 0 - 4.6-8.2 HG3 LYS 20 - HE3 LYS 90 far 0 96 0 - 4.9-8.9 HG2 PRO 86 - HE2 LYS 13 far 0 72 0 - 5.0-9.6 HB3 ARG 91 - HE2 LYS 94 far 0 60 0 - 5.1-10.1 HG3 LYS 20 - HE2 LYS 24 far 0 88 0 - 5.4-11.6 HG2 PRO 86 - HE3 LYS 90 far 0 77 0 - 5.5-7.5 HD2 LYS 20 - HE3 LYS 90 far 0 94 0 - 5.6-8.5 HD3 LYS 24 - HE2 LYS 94 far 0 44 0 - 5.7-12.3 HD3 LYS 20 - HE3 LYS 24 far 0 88 0 - 5.8-12.5 HD3 LYS 20 - HE2 LYS 24 far 0 88 0 - 6.1-12.3 HG3 LYS 20 - HE3 LYS 24 far 0 88 0 - 6.2-11.6 HD3 LYS 12 - HE3 LYS 13 far 0 60 0 - 6.5-10.7 HD2 LYS 20 - HE2 LYS 13 far 0 89 0 - 6.5-12.1 HD3 LYS 66 - HE2 LYS 73 far 0 64 0 - 6.6-10.6 HD2 LYS 20 - HE3 LYS 24 far 0 86 0 - 6.9-12.0 HD2 LYS 24 - HE2 LYS 94 far 0 45 0 - 6.9-12.9 HD3 LYS 66 - HE3 LYS 73 far 0 65 0 - 6.9-10.7 HD2 LYS 24 - HE3 LYS 90 far 0 72 0 - 7.1-11.6 HD2 LYS 12 - HE3 LYS 13 far 0 60 0 - 7.1-11.2 HD2 LYS 12 - HE2 LYS 13 far 0 58 0 - 7.2-12.0 HD3 LYS 24 - HE3 LYS 90 far 0 70 0 - 7.3-10.7 HD3 LYS 13 - HE3 LYS 12 far 0 47 0 - 7.3-11.8 HB3 ARG 91 - HE3 LYS 90 far 0 90 0 - 7.4-8.9 HD3 LYS 90 - HE3 LYS 13 far 0 68 0 - 7.4-13.8 HD3 LYS 12 - HE2 LYS 13 far 0 58 0 - 7.5-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 86 0 - 7.5-11.7 HD3 LYS 20 - HE2 LYS 13 far 0 91 0 - 7.5-13.3 HD2 LYS 20 - HE3 LYS 13 far 0 92 0 - 7.5-11.8 HD3 LYS 20 - HE3 LYS 13 far 0 94 0 - 7.6-13.1 HD2 LYS 13 - HE3 LYS 12 far 0 51 0 - 7.7-11.9 HD2 LYS 13 - HE3 LYS 90 far 0 63 0 - 7.7-13.0 HD3 LYS 13 - HE3 LYS 90 far 0 59 0 - 8.0-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 81 0 - 8.1-13.3 HD3 LYS 20 - HE3 LYS 12 far 0 82 0 - 8.2-14.3 HB ILE 52 - HE3 LYS 47 far 0 62 0 - 8.2-11.2 HG3 LYS 20 - HE3 LYS 12 far 0 82 0 - 8.3-16.0 HD3 LYS 90 - HE2 LYS 13 far 0 65 0 - 8.4-13.0 HB ILE 52 - HE2 LYS 47 far 0 62 0 - 8.5-11.4 HG3 LYS 20 - HE2 LYS 13 far 0 91 0 - 8.6-13.7 HG2 LYS 68 - HE2 LYS 73 far 0 87 0 - 8.9-13.2 HD3 LYS 90 - HE3 LYS 24 far 0 62 0 - 8.9-13.3 HD3 LYS 90 - HE2 LYS 94 far 0 44 0 - 9.0-13.0 HB ILE 76 - HE3 LYS 73 far 0 91 0 - 9.1-12.7 HG2 LYS 68 - HE3 LYS 73 far 0 88 0 - 9.2-12.3 HB2 LEU 2 - HE3 LYS 47 far 0 34 0 - 9.3-13.4 HD3 LYS 68 - HE3 LYS 73 far 0 97 0 - 9.3-14.2 HG3 LYS 20 - HE3 LYS 13 far 0 94 0 - 9.3-14.0 HD2 LYS 68 - HE3 LYS 73 far 0 98 0 - 9.5-14.4 HD3 LYS 90 - HE2 LYS 24 far 0 62 0 - 9.6-13.5 HD2 LYS 68 - HE2 LYS 73 far 0 97 0 - 9.7-14.6 HG12 ILE 15 - HE3 LYS 13 far 0 73 0 - 9.7-12.9 HB2 LEU 2 - HE2 LYS 47 far 0 34 0 - 9.7-13.4 HB ILE 76 - HE2 LYS 73 far 0 89 0 - 9.9-12.4 HB3 LYS 40 - HE2 LYS 47 far 0 54 0 - 9.9-14.0 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 1 assignment used, quality = 1.00: * H MET 74 + HA MET 74 OK 100 100 100 100 2.9-2.9 3.0=100 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 2 assignments used, quality = 1.00: * HB2 MET 74 + HA MET 74 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 GLU 43 - HA MET 74 far 0 100 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 3329 from cnoeabs.peaks (1.96, 4.40, 55.19 ppm; 3.78 A): 1 out of 6 assignments used, quality = 1.00: * HB3 MET 74 + HA MET 74 OK 100 100 100 100 3.0-3.0 3.0=100 QE MET 74 - HA MET 74 far 0 59 0 - 4.3-4.8 HB2 LYS 73 - HA MET 74 far 0 100 0 - 4.3-5.7 HB3 LYS 73 - HA MET 74 far 0 100 0 - 4.4-5.0 HB2 ARG 46 - HA MET 74 far 0 98 0 - 6.0-8.0 HB3 ARG 46 - HA MET 74 far 0 100 0 - 6.7-7.9 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 2.4-3.5 3351=81, 7228/3.0=58...(16) HG3 GLN 72 - HA MET 74 far 0 99 0 - 8.7-9.3 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 2.2-3.8 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): 1 out of 3 assignments used, quality = 0.59: HB3 MET 74 + HA MET 74 OK 59 59 100 100 3.0-3.0 3.0=100 ! QE MET 74 - HA MET 74 far 5 100 5 - 4.3-4.8 HB2 ARG 46 - HA MET 74 far 0 82 0 - 6.0-8.0 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 1 assignment used, quality = 1.00: * H GLU 75 + HA MET 74 OK 100 100 100 100 3.1-3.3 3.6=100 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 3.6-3.7 4.0=100 H SER 49 - HB2 MET 74 far 0 91 0 - 8.7-10.0 H VAL 78 - HB2 MET 74 far 0 99 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 3335 from cnoeabs.peaks (4.40, 2.06, 33.37 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 74 + HB2 MET 74 OK 100 100 100 100 2.4-2.6 3.0=100 HA ILE 76 - HB2 MET 74 far 0 85 0 - 5.3-5.9 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 2.5-3.5 4.2=62, 6.0/7226=20...(9) HB2 ARG 46 - HB2 MET 74 far 15 98 15 - 3.7-6.3 HB3 ARG 46 - HB2 MET 74 far 0 100 0 - 4.6-5.9 HB2 LYS 73 - HB2 MET 74 far 0 100 0 - 5.6-7.3 HB3 LYS 73 - HB2 MET 74 far 0 100 0 - 6.2-7.0 HB2 GLU 44 - HB2 MET 74 far 0 61 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 3338 from cnoeabs.peaks (2.53, 2.06, 33.37 ppm; 4.27 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 74 + HB2 MET 74 OK 100 100 100 100 2.9-3.0 2.9=100 HG3 GLN 72 - HB2 MET 74 far 0 99 0 - 8.7-9.7 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 2.2-2.8 2.9=100 HB3 ASP 77 - HB2 MET 74 far 0 98 0 - 9.4-10.3 HB3 TYR 41 - HB2 MET 74 far 0 96 0 - 9.8-10.8 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 = 1.00: * QE MET 74 + HB2 MET 74 OK 100 100 100 100 2.5-3.5 3368=100, 3367/3.0=40...(9) HB3 MET 74 + HB2 MET 74 OK 59 59 100 100 1.8-1.8 1.8=100 HB2 ARG 46 - HB2 MET 74 poor 16 82 20 - 3.7-6.3 HB2 GLU 44 - HB2 MET 74 far 0 100 0 - 9.8-11.0 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 4.2-4.4 4.3=100 H LYS 39 - HB2 MET 74 far 0 100 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 3342 from cnoeabs.peaks (7.75, 1.96, 33.37 ppm; 4.72 A): 1 out of 3 assignments used, quality = 1.00: * H MET 74 + HB3 MET 74 OK 100 100 100 100 2.3-2.5 4.0=100 H VAL 78 - HB3 MET 74 far 0 99 0 - 7.7-8.3 H SER 49 - HB3 MET 74 far 0 91 0 - 9.4-11.0 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 3.0-3.0 3.0=100 HA ILE 76 + HB3 MET 74 OK 60 85 70 100 5.2-5.8 3.0/9644=80, 3.0/9659=67...(9) 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 - 8.6-9.4 HB3 LEU 38 - HB3 MET 74 far 0 99 0 - 8.7-11.2 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 2.2-2.8 2.9=100 HG3 GLN 72 - HB3 MET 74 far 0 99 0 - 7.2-8.1 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 - 9.0-9.6 HB3 TYR 41 - HB3 MET 74 far 0 96 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 3348 from cnoeabs.peaks (2.00, 1.96, 33.37 ppm; diagonal): 1 out of 1 assignment used, quality = 0.59: HB3 MET 74 + HB3 MET 74 OK 59 59 - 100 Reference assignment not found: QE MET 74 - HB3 MET 74 Peak 3349 from cnoeabs.peaks (8.08, 1.96, 33.37 ppm; 6.48 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 75 + HB3 MET 74 OK 100 100 100 100 3.5-3.8 4.3=100 H LYS 39 - HB3 MET 74 far 0 100 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 3350 from cnoeabs.peaks (7.75, 2.53, 33.04 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * H MET 74 + HG2 MET 74 OK 100 100 100 100 2.5-3.3 7228=100, 7229/1.8=80...(16) H VAL 78 - HG2 MET 74 far 0 99 0 - 9.5-10.4 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 2.4-3.5 3330=100, 3.0/7228=65...(16) HA ILE 76 - HG2 MET 74 far 0 85 0 - 7.4-8.2 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 3 assignments used, quality = 1.00: * HB2 MET 74 + HG2 MET 74 OK 100 100 100 100 2.9-3.0 2.9=100 HB3 LEU 38 - HG2 MET 74 far 0 99 0 - 7.9-10.9 HB3 GLU 43 - HG2 MET 74 far 0 100 0 - 8.2-9.8 Violated in 0 structures by 0.00 A. Peak 3353 from cnoeabs.peaks (1.96, 2.53, 33.04 ppm; 3.76 A): 3 out of 6 assignments used, quality = 1.00: * HB3 MET 74 + HG2 MET 74 OK 100 100 100 100 2.2-2.8 2.9=100 QE MET 74 + HG2 MET 74 OK 59 59 100 100 2.2-3.4 3.4=100 HB2 LYS 73 + HG2 MET 74 OK 57 100 65 88 3.0-5.6 4.6/7228=37, 3.0/9612=25...(12) HB3 LYS 73 - HG2 MET 74 far 10 100 10 - 4.0-5.4 HB2 ARG 46 - HG2 MET 74 far 0 98 0 - 5.7-8.9 HB3 ARG 46 - HG2 MET 74 far 0 100 0 - 7.0-8.5 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 - 9.6-11.0 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 3 assignments used, quality = 1.00: * QE MET 74 + HG2 MET 74 OK 100 100 100 100 2.2-3.4 3.4=100 HB3 MET 74 + HG2 MET 74 OK 59 59 100 100 2.2-2.8 2.9=100 HB2 ARG 46 - HG2 MET 74 far 0 82 0 - 5.7-8.9 Violated in 0 structures by 0.00 A. Peak 3357 from cnoeabs.peaks (8.08, 2.53, 33.04 ppm; 6.50 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 75 + HG2 MET 74 OK 100 100 100 100 4.5-5.3 4.8=100 H LYS 39 - HG2 MET 74 far 0 100 0 - 7.5-8.6 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 3.1-4.0 7229=93, 7228/1.8=79...(17) H ASN 60 + HB VAL 58 OK 59 59 100 100 2.4-2.7 9420/2.1=77, 9410=67...(15) H LEU 64 + HB VAL 58 OK 42 45 95 99 3.8-4.1 7040/2.1=50...(13) H VAL 78 - HG3 MET 74 far 0 99 0 - 9.2-11.1 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 5 assignments used, quality = 1.00: * HA MET 74 + HG3 MET 74 OK 100 100 100 100 2.2-3.8 4.0=100 HA SER 9 - HB VAL 58 far 0 49 0 - 6.0-6.7 HA ASP 61 - HB VAL 58 far 0 33 0 - 6.1-6.4 HA ILE 76 - HG3 MET 74 far 0 85 0 - 7.3-8.2 HB THR 84 - HB VAL 58 far 0 35 0 - 9.9-10.3 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 2.2-2.8 2.9=100 HB3 GLU 62 - HB VAL 58 far 0 49 0 - 7.2-8.0 HB3 GLU 43 - HG3 MET 74 far 0 100 0 - 7.4-9.3 HB3 LEU 38 - HB VAL 58 far 0 63 0 - 8.5-9.8 HB3 LEU 38 - HG3 MET 74 far 0 99 0 - 8.9-11.8 HB3 GLU 35 - HB VAL 58 far 0 57 0 - 9.5-10.9 HB3 GLU 35 - HG3 MET 74 far 0 94 0 - 9.7-12.8 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 7 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 2.1-3.4 3.4=100 HB2 LYS 73 + HG3 MET 74 OK 20 100 25 82 3.7-6.4 4.6/7229=33...(10) HB3 LYS 73 - HG3 MET 74 far 0 100 0 - 4.1-6.1 HB2 ARG 46 - HG3 MET 74 far 0 98 0 - 5.3-8.7 HB3 ARG 46 - HG3 MET 74 far 0 100 0 - 6.1-8.0 HB VAL 32 - HB VAL 58 far 0 53 0 - 7.2-8.2 Violated in 0 structures by 0.00 A. Peak 3362 from cnoeabs.peaks (2.53, 2.62, 33.04 ppm; 2.75 A): 1 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 far 0 62 0 - 3.7-4.3 HB2 ASP 61 - HB VAL 58 far 0 57 0 - 8.3-8.6 HG3 GLN 72 - HG3 MET 74 far 0 99 0 - 8.3-10.3 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 4 assignments used, quality = 1.00: * QE MET 74 + HG3 MET 74 OK 100 100 100 100 2.1-3.4 3.4=100 HB3 MET 74 + HG3 MET 74 OK 59 59 100 100 2.2-3.0 2.9=100 HB2 ARG 46 - HG3 MET 74 far 0 82 0 - 5.3-8.7 HB2 GLU 62 - HB VAL 58 far 0 61 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 3365 from cnoeabs.peaks (8.08, 2.62, 33.04 ppm; 5.97 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 75 + HG3 MET 74 OK 100 100 100 100 4.8-5.5 4.8=100 H LYS 39 - HG3 MET 74 far 0 100 0 - 6.7-9.2 Violated in 0 structures by 0.00 A. Peak 3366 from cnoeabs.peaks (7.75, 2.00, 17.28 ppm; 4.88 A increased from 4.59 A): 1 out of 4 assignments used, quality = 1.00: * H MET 74 + QE MET 74 OK 100 100 100 100 4.3-4.9 7228/3.4=81...(15) H VAL 78 - QE MET 74 far 0 99 0 - 8.0-9.1 H GLU 37 - QE MET 74 far 0 100 0 - 8.1-8.6 H SER 49 - QE MET 74 far 0 91 0 - 8.7-9.4 Violated in 1 structures by 0.00 A. Peak 3367 from cnoeabs.peaks (4.40, 2.00, 17.28 ppm; 4.83 A increased from 4.30 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 74 + QE MET 74 OK 100 100 100 100 4.3-4.8 3.0/3368=87, 3330/3.4=79...(12) HA ILE 76 - QE MET 74 far 0 85 0 - 6.4-7.1 Violated in 0 structures by 0.00 A. Peak 3368 from cnoeabs.peaks (2.06, 2.00, 17.28 ppm; 3.53 A): 1 out of 5 assignments used, quality = 0.94: * HB2 MET 74 + QE MET 74 OK 94 100 100 94 2.5-3.5 4.2=60, 3.0/3367=34...(9) HB3 GLU 43 - QE MET 74 far 0 100 0 - 4.2-5.2 HB3 LEU 38 - QE MET 74 far 0 99 0 - 5.4-7.4 HB3 GLU 35 - QE MET 74 far 0 94 0 - 8.3-9.6 HB3 GLU 48 - QE MET 74 far 0 96 0 - 9.7-10.6 Violated in 0 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 2.2-3.4 3.4=100 HG3 GLN 72 - QE MET 74 far 0 99 0 - 7.9-9.3 HB2 ASP 36 - QE MET 74 far 0 90 0 - 8.0-9.5 HB3 ASP 36 - QE MET 74 far 0 91 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 3371 from cnoeabs.peaks (2.62, 2.00, 17.28 ppm; 4.29 A): 1 out of 3 assignments used, quality = 1.00: * HG3 MET 74 + QE MET 74 OK 100 100 100 100 2.1-3.4 3.4=100 HB3 TYR 41 - QE MET 74 far 0 96 0 - 5.9-6.2 HB3 ASP 77 - QE MET 74 far 0 98 0 - 9.4-10.3 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; 5.01 A increased from 4.71 A): 1 out of 2 assignments used, quality = 0.99: H LYS 39 + QE MET 74 OK 99 100 100 100 4.7-5.0 3.0/9609=86, 625/9605=69...(11) ! H GLU 75 - QE MET 74 far 0 100 0 - 5.8-6.3 Violated in 3 structures by 0.00 A. Peak 3374 from cnoeabs.peaks (8.08, 4.00, 56.72 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 75 + HA GLU 75 OK 100 100 100 100 2.3-2.3 2.9=100 Violated in 0 structures by 0.00 A. Peak 3375 from cnoeabs.peaks (4.00, 4.00, 56.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 75 + HA GLU 75 OK 100 100 - 100 Peak 3376 from cnoeabs.peaks (2.13, 4.00, 56.72 ppm; 2.97 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLU 75 + HA GLU 75 OK 100 100 100 100 2.4-2.6 2.9=100 HG2 GLU 75 + HA GLU 75 OK 42 63 80 83 2.4-3.6 4.0=39, 7241/2.9=26...(14) HG3 GLU 75 - HA GLU 75 far 6 59 10 - 2.3-3.8 HB2 GLN 72 - HA GLU 75 far 0 81 0 - 5.2-6.1 Violated in 0 structures by 0.00 A. Peak 3377 from cnoeabs.peaks (2.19, 4.00, 56.72 ppm; 3.08 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLU 75 + HA GLU 75 OK 100 100 100 100 3.0-3.0 2.9=100 HG2 GLU 75 + HA GLU 75 OK 74 95 90 87 2.4-3.6 4.0=44, 1.8/3403=27...(15) HG3 GLU 75 - HA GLU 75 poor 19 96 20 - 2.3-3.8 HB2 GLN 72 - HA GLU 75 far 0 84 0 - 5.2-6.1 Violated in 0 structures by 0.00 A. Peak 3378 from cnoeabs.peaks (2.17, 4.00, 56.72 ppm; 2.87 A): 3 out of 5 assignments used, quality = 0.99: HB3 GLU 75 + HA GLU 75 OK 94 95 100 99 3.0-3.0 2.9=95, 4.1/7248=27...(15) HB2 GLU 75 + HA GLU 75 OK 62 63 100 98 2.4-2.6 2.9=95, 4.1/7248=27...(12) * HG2 GLU 75 + HA GLU 75 OK 57 100 70 81 2.4-3.6 4.0=36, 1.8/3403=23...(16) HG3 GLU 75 - HA GLU 75 far 5 100 5 - 2.3-3.8 HB2 GLN 72 - HA GLU 75 far 0 99 0 - 5.2-6.1 Violated in 0 structures by 0.00 A. Peak 3379 from cnoeabs.peaks (2.17, 4.00, 56.72 ppm; 2.87 A): 3 out of 5 assignments used, quality = 0.99: HB3 GLU 75 + HA GLU 75 OK 95 96 100 99 3.0-3.0 2.9=95, 4.1/7248=27...(15) HB2 GLU 75 + HA GLU 75 OK 58 59 100 98 2.4-2.6 2.9=95, 4.1/7248=27...(12) HG2 GLU 75 + HA GLU 75 OK 57 100 70 81 2.4-3.6 4.0=36, 1.8/3403=23...(16) ! HG3 GLU 75 - HA GLU 75 far 5 100 5 - 2.3-3.8 HB2 GLN 72 - HA GLU 75 far 0 99 0 - 5.2-6.1 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 2.6-2.7 7248=100, 7247/2.9=53...(13) 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 4.0-4.1 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 1 assignment used, quality = 1.00: * HA GLU 75 + HB2 GLU 75 OK 100 100 100 100 2.4-2.6 2.9=100 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 4 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 41 96 55 77 2.3-3.0 3.0=59, 3403/2.9=12...(11) HG2 GLU 75 + HB2 GLU 75 OK 40 95 55 77 2.3-3.0 3.0=59, 3377/2.9=14...(10) HB2 GLN 72 - HB2 GLU 75 far 0 84 0 - 7.3-8.7 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 4.3-4.5 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 3.3-3.7 4.0=100 H GLU 17 - HG3 PRO 86 far 0 87 0 - 5.8-7.2 H LYS 90 - HG3 PRO 86 far 0 66 0 - 6.3-7.2 H ILE 15 - HG3 PRO 86 far 0 92 0 - 6.9-8.7 H LYS 13 - HG3 PRO 86 far 0 92 0 - 6.9-9.5 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 4 assignments used, quality = 1.00: * HA GLU 75 + HB3 GLU 75 OK 100 100 100 100 3.0-3.0 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 HA LEU 70 - HB3 GLU 75 far 0 93 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 3390 from cnoeabs.peaks (2.13, 2.19, 27.12 ppm; 2.42 A): 4 out of 9 assignments used, quality = 1.00: * HB2 GLU 75 + HB3 GLU 75 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PRO 86 + HG3 PRO 86 OK 64 64 100 100 2.3-2.7 2.3=100 HG3 GLU 75 + HB3 GLU 75 OK 40 59 95 71 2.3-3.0 3.0=52, 4.0/3379=8...(10) HG2 GLU 75 + HB3 GLU 75 OK 22 63 50 70 2.4-3.0 3.0=52, 7241/4.0=11...(8) HB2 PRO 86 - HG3 PRO 86 far 8 85 10 - 2.3-3.0 HG2 GLU 88 - HG3 PRO 86 far 0 91 0 - 5.9-8.6 HB2 GLN 72 - HB3 GLU 75 far 0 81 0 - 7.9-8.6 HB VAL 83 - HG3 PRO 86 far 0 76 0 - 7.9-8.5 HB3 GLU 16 - HG3 PRO 86 far 0 66 0 - 8.4-10.5 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): 2 out of 3 assignments used, quality = 1.00: * H ILE 76 + HB3 GLU 75 OK 100 100 100 100 4.3-4.5 4.1=100 H GLU 88 + HG3 PRO 86 OK 79 89 90 99 4.7-6.2 7386/7380=75...(10) H LEU 14 - HG3 PRO 86 far 9 90 10 - 5.2-7.2 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 + HG3 GLU 75 OK 99 100 100 99 2.9-4.5 7241/1.8=62, 5.0=61...(15) * H GLU 75 + HG2 GLU 75 OK 98 100 100 98 2.7-4.5 5.0=61, 2.9/3403=37...(14) H LYS 39 + HG2 GLU 35 OK 38 48 85 93 3.6-5.8 8949/10534=41...(11) H LYS 39 - HG3 GLU 35 poor 12 48 25 - 3.8-5.7 H LYS 39 - HG2 GLU 43 far 0 45 0 - 6.3-7.3 H GLU 75 - HG2 GLU 43 far 0 46 0 - 9.8-11.8 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 10 assignments used, quality = 1.00: HA GLU 75 + HG3 GLU 75 OK 98 100 100 98 2.3-3.8 4.0=76, 3377/1.8=38...(16) * HA GLU 75 + HG2 GLU 75 OK 98 100 100 98 2.4-3.6 4.0=76, 3379/3.0=32...(16) HA LEU 70 - HG2 GLU 35 far 0 41 0 - 5.9-7.2 HA LEU 70 - HG3 GLU 35 far 0 41 0 - 6.0-6.8 HA GLU 69 - HG3 GLU 35 far 0 48 0 - 8.5-10.3 HA LEU 70 - HG3 GLU 75 far 0 93 0 - 8.7-11.2 HA LEU 70 - HG2 GLU 75 far 0 93 0 - 8.7-11.2 HA LEU 70 - HG2 GLU 43 far 0 39 0 - 8.9-10.1 HA GLU 69 - HG2 GLU 35 far 0 48 0 - 9.2-11.0 HA GLU 69 - HG2 GLU 75 far 0 100 0 - 9.6-12.0 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; 5.16 A increased from 4.34 A): 3 out of 6 assignments used, quality = 0.97: * H ILE 76 + HG2 GLU 75 OK 93 100 95 98 4.9-6.0 7248/4.0=83, 7247/5.0=65...(9) H ILE 76 + HG3 GLU 75 OK 49 100 50 97 4.9-6.0 7248/4.0=83, 7247/5.0=65...(8) H LEU 38 + HG2 GLU 35 OK 23 33 75 94 4.8-6.6 12057/4.1=42...(8) H LEU 38 - HG3 GLU 35 poor 10 33 30 - 4.9-6.7 H LEU 38 - HG2 GLU 43 far 0 31 0 - 8.3-9.7 H ILE 76 - HG2 GLU 43 far 0 46 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 3402 from cnoeabs.peaks (8.08, 2.17, 36.71 ppm; 4.12 A): 3 out of 6 assignments used, quality = 0.99: H GLU 75 + HG2 GLU 75 OK 92 100 95 97 2.7-4.5 5.0=55, 2.9/3403=35...(14) * H GLU 75 + HG3 GLU 75 OK 89 100 90 99 2.9-4.5 7241/1.8=60, 5.0=55...(15) H LYS 39 + HG2 GLU 35 OK 40 52 85 91 3.6-5.8 8949/10534=39...(11) H LYS 39 - HG3 GLU 35 poor 13 52 25 - 3.8-5.7 H LYS 39 - HG2 GLU 43 far 0 48 0 - 6.3-7.3 H GLU 75 - HG2 GLU 43 far 0 49 0 - 9.8-11.8 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 10 assignments used, quality = 1.00: * HA GLU 75 + HG3 GLU 75 OK 98 100 100 98 2.3-3.8 4.0=70, 3377/1.8=37...(16) HA GLU 75 + HG2 GLU 75 OK 97 100 100 97 2.4-3.6 4.0=70, 3379/3.0=31...(16) HA LEU 70 - HG2 GLU 35 far 0 45 0 - 5.9-7.2 HA LEU 70 - HG3 GLU 35 far 0 45 0 - 6.0-6.8 HA GLU 69 - HG3 GLU 35 far 0 52 0 - 8.5-10.3 HA LEU 70 - HG3 GLU 75 far 0 93 0 - 8.7-11.2 HA LEU 70 - HG2 GLU 75 far 0 93 0 - 8.7-11.2 HA LEU 70 - HG2 GLU 43 far 0 41 0 - 8.9-10.1 HA GLU 69 - HG2 GLU 35 far 0 52 0 - 9.2-11.0 HA GLU 69 - HG2 GLU 75 far 0 100 0 - 9.6-12.0 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; 5.33 A increased from 4.74 A): 3 out of 6 assignments used, quality = 0.98: H ILE 76 + HG2 GLU 75 OK 93 100 95 98 4.9-6.0 7248/4.0=86, 7247/5.0=68...(9) * H ILE 76 + HG3 GLU 75 OK 49 100 50 98 4.9-6.0 7248/4.0=86, 7247/5.0=68...(8) H LEU 38 + HG2 GLU 35 OK 29 35 85 96 4.8-6.6 8772/6561=46...(8) H LEU 38 - HG3 GLU 35 poor 14 35 40 - 4.9-6.7 H LEU 38 - HG2 GLU 43 far 0 32 0 - 8.3-9.7 H ILE 76 - HG2 GLU 43 far 0 49 0 - 9.7-11.8 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 - 7.5-8.2 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 - 7.2-8.6 HD2 LYS 73 - HA ILE 76 far 0 88 0 - 9.7-12.9 HD2 LYS 47 - HA ILE 76 far 0 65 0 - 9.7-13.1 HG3 LYS 47 - HA ILE 76 far 0 90 0 - 9.8-11.5 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 7 assignments used, quality = 1.00: * QG2 ILE 76 + HA ILE 76 OK 100 100 100 100 2.1-2.3 3.2=100 HG13 ILE 7 - HA SER 9 far 0 85 0 - 5.2-7.0 HG13 ILE 8 - HA SER 9 far 0 87 0 - 6.1-6.6 QG1 VAL 32 - HA SER 9 far 0 70 0 - 7.0-7.5 QD1 LEU 2 - HA ILE 76 far 0 100 0 - 8.2-9.5 QD1 LEU 38 - HA ILE 76 far 0 88 0 - 8.6-8.9 QD1 LEU 103 - HA ILE 76 far 0 93 0 - 8.9-18.3 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 3.2-3.3 3.8=100 HG2 LYS 82 - HA SER 9 far 0 67 0 - 8.7-9.5 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 8 assignments used, quality = 1.00: * HG13 ILE 76 + HA ILE 76 OK 100 100 100 100 2.6-2.7 3.8=100 QB ALA 71 - HA ILE 76 far 0 84 0 - 4.8-5.4 HG12 ILE 7 - HA SER 9 far 0 83 0 - 6.3-6.9 HG2 LYS 53 - HA ILE 76 far 0 82 0 - 7.5-8.8 HG13 ILE 52 - HA ILE 76 far 0 91 0 - 8.5-9.6 HG3 LYS 53 - HA ILE 76 far 0 73 0 - 8.9-10.4 HG2 LYS 12 - HA SER 9 far 0 85 0 - 8.9-10.1 HD2 LYS 53 - HA ILE 76 far 0 88 0 - 9.5-11.3 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 14 assignments used, quality = 1.00: * QD1 ILE 76 + HA ILE 76 OK 100 100 100 100 3.8-3.9 3450=80, 3452/3.2=62...(15) QG2 ILE 8 + HA SER 9 OK 79 82 100 96 3.3-3.7 6104/2.9=62, ~6102=21...(16) QG2 ILE 52 - HA ILE 76 far 0 90 0 - 4.2-5.2 QD2 LEU 42 - HA ILE 76 far 0 70 0 - 5.1-5.4 QG2 ILE 7 - HA SER 9 far 0 88 0 - 5.5-5.7 QG2 ILE 15 - HA SER 9 far 0 85 0 - 6.7-7.3 QG1 VAL 54 - HA ILE 76 far 0 59 0 - 7.6-8.2 QD2 LEU 38 - HA SER 9 far 0 73 0 - 8.1-8.7 QG2 VAL 32 - HA SER 9 far 0 60 0 - 8.2-8.4 QD1 LEU 57 - HA SER 9 far 0 66 0 - 8.3-9.1 QD1 LEU 6 - HA ILE 76 far 0 77 0 - 8.8-9.2 QD2 LEU 57 - HA SER 9 far 0 87 0 - 9.3-9.6 QD2 LEU 103 - HA ILE 76 far 0 84 0 - 9.4-17.5 QD2 LEU 2 - HA ILE 76 far 0 99 0 - 9.6-11.7 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 2.1-2.3 7262=100, 7264/3.2=42...(11) 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 2.7-2.9 7254=100, 3425/2.1=63...(14) 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 2 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 - 6.3-6.7 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 3 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 - 6.1-6.5 QD1 LEU 2 - HB ILE 76 far 0 100 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 3421 from cnoeabs.peaks (1.09, 1.64, 40.34 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 76 + HB ILE 76 OK 100 100 100 100 2.4-2.5 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 8 assignments used, quality = 1.00: * HG13 ILE 76 + HB ILE 76 OK 100 100 100 100 3.0-3.0 3.0=100 QB ALA 71 + HB ILE 76 OK 83 84 100 99 2.2-2.8 10834=53, 2.1/10836=48...(20) HG2 LYS 53 - HB ILE 76 far 0 82 0 - 8.1-9.7 HG3 LYS 39 - HB ILE 76 far 0 100 0 - 8.6-10.5 HG13 ILE 52 - HB ILE 76 far 0 91 0 - 8.8-10.2 HG LEU 38 - HB ILE 76 far 0 88 0 - 9.3-9.9 HG3 LYS 53 - HB ILE 76 far 0 73 0 - 9.7-11.1 HB2 LEU 38 - HB ILE 76 far 0 93 0 - 9.7-11.3 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 9 assignments used, quality = 1.00: * QD1 ILE 76 + HB ILE 76 OK 100 100 100 100 2.4-2.5 3.2=100 QD2 LEU 42 + HB ILE 76 OK 67 70 100 97 2.8-3.2 2.1/9646=28...(18) QG2 ILE 52 - HB ILE 76 far 0 90 0 - 5.0-6.0 QG1 VAL 54 - HB ILE 76 far 0 59 0 - 5.8-6.5 QD1 LEU 6 - HB ILE 76 far 0 77 0 - 6.7-7.1 QD1 LEU 70 - HB ILE 76 far 0 96 0 - 7.9-8.9 QD2 LEU 70 - HB ILE 76 far 0 100 0 - 8.0-8.7 QD2 LEU 38 - HB ILE 76 far 0 90 0 - 8.2-8.7 QG2 VAL 32 - HB ILE 76 far 0 75 0 - 9.9-10.2 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...(13) Violated in 0 structures by 0.00 A. Peak 3425 from cnoeabs.peaks (7.56, 0.88, 17.57 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 76 + QG2 ILE 76 OK 100 100 100 100 3.9-4.0 4.0=95, 7254/2.1=80...(13) 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 2.1-2.3 3.2=100 HA MET 74 - QG2 ILE 76 far 0 85 0 - 6.4-6.7 HA GLU 48 - QG2 ILE 76 far 0 100 0 - 6.9-8.0 HA GLN 50 - QG2 ILE 76 far 0 77 0 - 7.4-8.4 HA LEU 2 - QG2 ILE 76 far 0 68 0 - 9.2-10.1 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 11 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 0 84 0 - 4.9-6.0 HG3 LYS 47 - QG2 ILE 76 far 0 90 0 - 6.9-8.6 HD2 LYS 47 - QG2 ILE 76 far 0 65 0 - 7.4-9.9 HD3 LYS 47 - QG2 ILE 76 far 0 63 0 - 8.0-9.6 HD2 LYS 73 - QG2 ILE 76 far 0 88 0 - 8.5-11.4 HB3 ARG 79 - QG2 ILE 76 far 0 99 0 - 8.6-9.2 HB3 LEU 6 - QG2 ILE 76 far 0 100 0 - 8.7-9.2 HD2 LYS 39 - QG2 ILE 76 far 0 99 0 - 9.0-10.8 HD3 LYS 73 - QG2 ILE 76 far 0 91 0 - 9.1-11.4 HD3 LYS 39 - QG2 ILE 76 far 0 100 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 3428 from cnoeabs.peaks (0.88, 0.88, 17.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 76 + QG2 ILE 76 OK 100 100 - 100 Peak 3429 from cnoeabs.peaks (1.09, 0.88, 17.57 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 76 + QG2 ILE 76 OK 100 100 100 100 3.2-3.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 3430 from cnoeabs.peaks (1.44, 0.88, 17.57 ppm; 3.47 A): 2 out of 9 assignments used, quality = 1.00: * HG13 ILE 76 + QG2 ILE 76 OK 100 100 100 100 2.3-2.4 3.2=100 QB ALA 71 + QG2 ILE 76 OK 75 84 90 99 3.0-3.9 10834/2.1=43...(22) HG13 ILE 52 - QG2 ILE 76 far 0 91 0 - 5.5-6.5 HG2 LYS 53 - QG2 ILE 76 far 0 82 0 - 5.5-6.6 HG3 LYS 53 - QG2 ILE 76 far 0 73 0 - 6.6-7.8 HD2 LYS 53 - QG2 ILE 76 far 0 88 0 - 7.4-8.7 HG3 LYS 39 - QG2 ILE 76 far 0 100 0 - 8.0-9.3 HG LEU 38 - QG2 ILE 76 far 0 88 0 - 8.6-9.2 HB2 LEU 38 - QG2 ILE 76 far 0 93 0 - 8.9-10.2 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 13 assignments used, quality = 1.00: * QD1 ILE 76 + QG2 ILE 76 OK 99 100 100 99 1.9-2.1 3452=92, 3450/3.2=32...(20) QD2 LEU 42 + QG2 ILE 76 OK 63 70 100 90 2.4-2.8 3.1/10883=23...(23) QG2 ILE 52 + QG2 ILE 76 OK 60 90 95 70 2.5-3.3 302=26, 9066/9065=17...(13) QG1 VAL 54 - QG2 ILE 76 far 0 59 0 - 4.4-4.9 QD1 LEU 6 - QG2 ILE 76 far 0 77 0 - 5.3-5.7 QD2 LEU 2 - QG2 ILE 76 far 0 99 0 - 7.0-8.9 QD2 LEU 38 - QG2 ILE 76 far 0 90 0 - 7.1-7.7 QD1 LEU 70 - QG2 ILE 76 far 0 96 0 - 7.6-8.6 QD2 LEU 70 - QG2 ILE 76 far 0 100 0 - 7.8-8.4 QG2 VAL 32 - QG2 ILE 76 far 0 75 0 - 8.3-8.6 QD2 LEU 103 - QG2 ILE 76 far 0 84 0 - 8.8-14.6 QD2 LEU 57 - QG2 ILE 76 far 0 100 0 - 9.1-9.6 QD1 LEU 27 - QG2 ILE 76 far 0 73 0 - 9.5-10.6 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 1.9-2.7 7264=100, 7263/2.1=67...(16) H VAL 5 - QG2 ILE 76 far 0 79 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 3433 from cnoeabs.peaks (7.56, 1.09, 26.75 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 76 + HG12 ILE 76 OK 100 100 100 100 2.3-2.6 7256=100, 3441/1.8=71...(15) H GLU 88 - HG2 ARG 91 far 0 93 0 - 7.2-8.3 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 2 assignments used, quality = 1.00: * HA ILE 76 + HG12 ILE 76 OK 100 100 100 100 3.2-3.3 3.8=100 HA MET 74 + HG12 ILE 76 OK 85 85 100 100 4.1-4.3 3.0/9664=63, 3.0/9665=52...(19) 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 10 assignments used, quality = 1.00: * HB ILE 76 + HG12 ILE 76 OK 100 100 100 100 2.4-2.5 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 far 0 85 0 - 4.3-8.5 HD2 LYS 73 - HG12 ILE 76 far 0 88 0 - 6.6-10.3 HD3 LYS 73 - HG12 ILE 76 far 0 91 0 - 7.2-10.4 HD3 LYS 39 - HG12 ILE 76 far 0 100 0 - 8.4-9.7 HD2 LYS 39 - HG12 ILE 76 far 0 99 0 - 8.4-10.7 HB ILE 52 - HG12 ILE 76 far 0 84 0 - 9.1-10.6 HD2 LYS 47 - HG12 ILE 76 far 0 65 0 - 9.4-13.0 HG3 LYS 47 - HG12 ILE 76 far 0 90 0 - 9.5-11.4 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 3.2-3.2 3.2=100 QD1 LEU 38 - HG12 ILE 76 far 0 88 0 - 6.9-7.3 QD1 LEU 103 - HG2 ARG 91 far 0 86 0 - 7.0-20.5 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 4 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 - 3.8-4.3 HG3 LYS 39 - HG12 ILE 76 far 0 100 0 - 7.7-9.5 Violated in 0 structures by 0.00 A. Peak 3439 from cnoeabs.peaks (0.80, 1.09, 26.75 ppm; 3.36 A): 1 out of 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 far 0 70 0 - 3.9-4.1 QG2 ILE 52 - HG12 ILE 76 far 0 90 0 - 5.8-6.9 QD1 LEU 57 - HG2 ARG 91 far 0 75 0 - 6.5-8.2 QD1 ILE 93 - HG2 ARG 91 far 0 68 0 - 7.4-8.3 QD2 LEU 70 - HG12 ILE 76 far 0 100 0 - 7.4-8.2 QG1 VAL 54 - HG12 ILE 76 far 0 59 0 - 7.5-8.1 QD2 LEU 103 - HG2 ARG 91 far 0 77 0 - 7.6-18.8 QD2 LEU 57 - HG2 ARG 91 far 0 95 0 - 7.7-9.4 QD1 LEU 6 - HG12 ILE 76 far 0 77 0 - 8.0-8.3 QD1 LEU 70 - HG12 ILE 76 far 0 96 0 - 8.0-8.8 QD2 LEU 38 - HG12 ILE 76 far 0 90 0 - 9.2-9.7 QD1 LEU 27 - HG2 ARG 91 far 0 66 0 - 9.6-11.0 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 5.0-5.2 7265=100, 7266/1.8=91...(9) Violated in 0 structures by 0.00 A. Peak 3441 from cnoeabs.peaks (7.56, 1.44, 26.75 ppm; 3.96 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 76 + HG13 ILE 76 OK 100 100 100 100 3.4-3.7 7256/1.8=85, 4.5=66...(14) H LEU 38 - HG LEU 38 far 0 39 0 - 4.5-4.5 H GLU 88 - HG3 ARG 91 far 0 86 0 - 7.3-8.4 H LYS 24 - HG LEU 29 far 0 80 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 3442 from cnoeabs.peaks (4.43, 1.44, 26.75 ppm; 4.35 A): 1 out of 7 assignments used, quality = 1.00: * HA ILE 76 + HG13 ILE 76 OK 100 100 100 100 2.6-2.7 3.8=100 HA MET 74 - HG13 ILE 76 far 0 85 0 - 5.0-5.4 HA VAL 32 - HG LEU 38 far 0 51 0 - 7.1-7.2 HA GLU 48 - HG13 ILE 76 far 0 100 0 - 8.8-10.0 HA VAL 32 - HG LEU 29 far 0 76 0 - 9.0-9.4 HA GLN 50 - HG13 ILE 76 far 0 77 0 - 9.4-10.7 HA MET 21 - HG LEU 29 far 0 76 0 - 9.7-10.1 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 23 assignments used, quality = 1.00: * HB ILE 76 + HG13 ILE 76 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 ARG 91 + HG3 ARG 91 OK 49 49 100 100 2.3-3.0 2.8=100 HD2 LYS 94 - HG3 ARG 91 far 0 78 0 - 4.6-8.4 HB3 LEU 6 - HG LEU 38 far 0 57 0 - 5.1-5.8 HB3 LEU 6 - HG LEU 29 far 0 85 0 - 6.0-6.5 HD2 LYS 39 - HG LEU 38 far 0 55 0 - 7.4-9.1 HB ILE 52 - HG13 ILE 76 far 0 84 0 - 7.5-9.1 HD2 LYS 73 - HG13 ILE 76 far 0 88 0 - 7.9-12.0 HD2 LYS 47 - HG13 ILE 76 far 0 65 0 - 7.9-11.4 HG2 LYS 68 - HG LEU 38 far 0 58 0 - 8.1-8.8 HG3 LYS 47 - HG13 ILE 76 far 0 90 0 - 8.1-9.8 HB2 LYS 40 - HG LEU 38 far 0 58 0 - 8.3-8.6 HD3 LYS 73 - HG13 ILE 76 far 0 91 0 - 8.4-12.1 HD3 LYS 47 - HG13 ILE 76 far 0 63 0 - 8.7-11.2 HD3 LYS 39 - HG LEU 38 far 0 58 0 - 8.9-9.9 HD3 LYS 20 - HG LEU 29 far 0 59 0 - 9.3-12.8 HD3 LYS 39 - HG13 ILE 76 far 0 100 0 - 9.3-10.7 HB ILE 76 - HG LEU 38 far 0 58 0 - 9.3-9.9 HD2 LYS 39 - HG13 ILE 76 far 0 99 0 - 9.4-11.7 HG3 LYS 20 - HG LEU 29 far 0 59 0 - 9.5-11.8 HB3 LYS 40 - HG LEU 38 far 0 28 0 - 9.5-10.2 HD2 LYS 68 - HG LEU 38 far 0 56 0 - 9.8-11.4 HD3 LYS 68 - HG LEU 38 far 0 57 0 - 9.8-11.2 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 13 assignments used, quality = 1.00: * QG2 ILE 76 + HG13 ILE 76 OK 100 100 100 100 2.3-2.4 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 95 3.5-3.7 8944=35, 1405/2.1=31...(14) HG13 ILE 8 - HG LEU 38 far 0 57 0 - 4.9-5.6 HG13 ILE 7 - HG LEU 29 far 0 82 0 - 6.0-7.3 QD1 LEU 103 - HG3 ARG 91 far 0 79 0 - 6.3-20.4 QD1 LEU 38 - HG13 ILE 76 far 0 88 0 - 7.6-8.0 HG13 ILE 8 - HG LEU 29 far 0 85 0 - 8.4-9.8 QG2 ILE 76 - HG LEU 38 far 0 58 0 - 8.6-9.2 QD1 LEU 2 - HG13 ILE 76 far 0 100 0 - 8.7-9.9 QG1 VAL 32 - HG LEU 29 far 0 68 0 - 8.8-9.2 QD1 LEU 38 - HG LEU 29 far 0 69 0 - 9.1-9.7 QD2 LEU 64 - HG LEU 38 far 0 47 0 - 9.3-10.0 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 - 8.6-11.0 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 38 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 8 52 65 25 2.8-3.9 1631/3.0=11, 1650/5.3=5...(6) QG2 ILE 7 - HG LEU 29 far 0 85 0 - 3.8-4.4 QD1 LEU 6 - HG LEU 38 far 0 38 0 - 4.0-4.7 QD2 LEU 42 - HG13 ILE 76 far 0 70 0 - 4.0-4.4 QG2 VAL 32 - HG LEU 38 far 0 37 0 - 4.1-4.2 QD1 ILE 93 - HG LEU 29 far 0 57 0 - 4.4-5.5 QG2 ILE 52 - HG13 ILE 76 far 0 90 0 - 4.6-5.7 QD2 LEU 42 - HG LEU 38 far 0 33 0 - 5.2-5.9 QG2 ILE 8 - HG LEU 38 far 0 53 0 - 5.3-6.0 QG2 ILE 15 - HG LEU 29 far 0 83 0 - 5.3-6.4 QD2 LEU 70 - HG LEU 38 far 0 57 0 - 5.4-6.2 QD2 LEU 57 - HG LEU 29 far 0 84 0 - 5.7-7.6 QG1 VAL 54 - HG LEU 29 far 0 44 0 - 6.0-7.0 QG1 VAL 54 - HG LEU 38 far 0 28 0 - 6.1-6.8 QD1 LEU 6 - HG LEU 29 far 0 59 0 - 6.5-6.9 QD1 LEU 27 - HG LEU 29 far 0 56 0 - 6.5-7.2 QG2 VAL 32 - HG LEU 29 far 0 57 0 - 6.5-6.8 QD1 LEU 57 - HG3 ARG 91 far 0 68 0 - 6.6-8.1 QD2 LEU 103 - HG3 ARG 91 far 0 70 0 - 7.1-19.4 QD1 ILE 93 - HG3 ARG 91 far 0 62 0 - 7.3-8.2 QD1 ILE 76 - HG LEU 38 far 0 58 0 - 7.4-8.0 QG1 VAL 54 - HG13 ILE 76 far 0 59 0 - 7.4-8.0 QD2 LEU 38 - HG LEU 29 far 0 71 0 - 7.6-8.3 QD2 LEU 57 - HG3 ARG 91 far 0 89 0 - 7.8-9.3 QD1 LEU 57 - HG LEU 29 far 0 64 0 - 8.0-8.6 QD1 LEU 6 - HG13 ILE 76 far 0 77 0 - 8.1-8.4 QD2 LEU 57 - HG LEU 38 far 0 57 0 - 8.4-8.9 QG2 ILE 7 - HG LEU 38 far 0 58 0 - 8.4-9.0 QD2 LEU 70 - HG13 ILE 76 far 0 100 0 - 8.5-9.4 QD1 LEU 70 - HG13 ILE 76 far 0 96 0 - 9.1-9.8 QG2 ILE 8 - HG LEU 29 far 0 79 0 - 9.1-9.8 QD2 LEU 2 - HG13 ILE 76 far 0 99 0 - 9.5-12.3 QD1 LEU 27 - HG3 ARG 91 far 0 60 0 - 9.6-10.4 QD1 LEU 57 - HG LEU 38 far 0 41 0 - 9.6-10.6 QD2 LEU 42 - HG LEU 29 far 0 52 0 - 9.7-10.3 QD2 LEU 38 - HG13 ILE 76 far 0 90 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 3448 from cnoeabs.peaks (8.89, 1.44, 26.75 ppm; 4.89 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 77 + HG13 ILE 76 OK 100 100 100 100 4.4-4.7 7266=100, 7264/3.2=82...(9) H VAL 5 + HG LEU 29 OK 60 60 100 100 4.1-4.9 8186=71, 8172/3.6=54...(10) H ARG 19 - HG LEU 29 far 0 81 0 - 5.9-6.5 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 3.8-4.1 7258=100, 7256/2.1=92...(12) H LEU 38 - QD1 ILE 76 far 0 79 0 - 8.8-9.2 Violated in 0 structures by 0.00 A. Peak 3450 from cnoeabs.peaks (4.43, 0.80, 13.65 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 76 + QD1 ILE 76 OK 100 100 100 100 3.8-3.9 4.2=85, 3.2/3452=70...(15) HA MET 74 - QD1 ILE 76 far 0 85 0 - 4.3-4.6 HA GLU 48 - QD1 ILE 76 far 0 100 0 - 8.2-9.3 HA GLN 50 - QD1 ILE 76 far 0 77 0 - 9.4-10.4 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 13 assignments used, quality = 1.00: * HB ILE 76 + QD1 ILE 76 OK 100 100 100 100 2.4-2.5 3.2=100 HD2 LYS 73 - QD1 ILE 76 far 0 88 0 - 5.9-9.5 HD2 LYS 39 - QD1 ILE 76 far 0 99 0 - 6.3-8.1 HD3 LYS 39 - QD1 ILE 76 far 0 100 0 - 6.3-7.4 HG3 LYS 47 - QD1 ILE 76 far 0 90 0 - 6.4-8.1 HD3 LYS 73 - QD1 ILE 76 far 0 91 0 - 6.7-9.6 HD2 LYS 47 - QD1 ILE 76 far 0 65 0 - 6.7-9.6 HB ILE 52 - QD1 ILE 76 far 0 84 0 - 6.8-8.1 HD3 LYS 47 - QD1 ILE 76 far 0 63 0 - 7.0-9.0 HB2 LYS 40 - QD1 ILE 76 far 0 100 0 - 8.5-8.8 HB3 LEU 6 - QD1 ILE 76 far 0 100 0 - 8.7-9.1 HB3 LYS 40 - QD1 ILE 76 far 0 59 0 - 8.7-9.1 HG2 LYS 68 - QD1 ILE 76 far 0 100 0 - 9.7-10.4 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 4 assignments used, quality = 0.99: * QG2 ILE 76 + QD1 ILE 76 OK 99 100 100 99 1.9-2.1 3.2=87, 3.2/3450=34...(20) QD1 LEU 38 - QD1 ILE 76 far 0 88 0 - 4.7-5.1 QD1 LEU 2 - QD1 ILE 76 far 0 100 0 - 7.8-8.7 QG1 VAL 32 - QD1 ILE 76 far 0 87 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 3453 from cnoeabs.peaks (1.09, 0.80, 13.65 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 76 + QD1 ILE 76 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 3454 from cnoeabs.peaks (1.44, 0.80, 13.65 ppm; 3.15 A): 2 out of 8 assignments used, quality = 1.00: * HG13 ILE 76 + QD1 ILE 76 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 71 + QD1 ILE 76 OK 71 84 90 94 2.9-3.6 12176=33, 10834/3.2=27...(18) HG3 LYS 39 - QD1 ILE 76 far 0 100 0 - 5.3-6.6 HB2 LEU 38 - QD1 ILE 76 far 0 93 0 - 7.1-8.5 HG13 ILE 52 - QD1 ILE 76 far 0 91 0 - 7.2-8.4 HG LEU 38 - QD1 ILE 76 far 0 88 0 - 7.4-8.0 HG2 LYS 53 - QD1 ILE 76 far 0 82 0 - 8.3-9.4 HG3 LYS 53 - QD1 ILE 76 far 0 73 0 - 9.3-10.4 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 4.7-5.2 7264/3452=88...(10) H VAL 5 - QD1 ILE 76 far 0 79 0 - 9.7-10.1 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 3 assignments used, quality = 1.00: * HB2 ASP 77 + HA ASP 77 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 HIS 106 - HA ASP 77 far 0 87 0 - 7.9-24.8 HD3 ARG 46 - HA ASP 77 far 0 96 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 3460 from cnoeabs.peaks (2.63, 4.57, 54.07 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 77 + HA ASP 77 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 MET 74 - HA ASP 77 far 0 98 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 3461 from cnoeabs.peaks (7.75, 4.57, 54.07 ppm; 2.95 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 78 + HA ASP 77 OK 100 100 100 100 2.2-2.3 7274=100, 7273/3.0=25...(8) H MET 74 - HA ASP 77 far 0 99 0 - 8.3-8.7 H SER 49 - HA ASP 77 far 0 79 0 - 9.4-10.7 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 2.9-3.6 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 2 assignments used, quality = 1.00: * HA ASP 77 + HB2 ASP 77 OK 100 100 100 100 2.6-3.0 3.0=100 HA HIS 105 - HB2 ASP 77 far 0 87 0 - 8.1-19.4 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 2 assignments used, quality = 1.00: * H VAL 78 + HB2 ASP 77 OK 100 100 100 100 3.9-4.3 4.4=100 H SER 49 - HB2 ASP 77 far 0 79 0 - 8.2-9.8 Violated in 0 structures by 0.00 A. Peak 3467 from cnoeabs.peaks (8.89, 2.63, 40.23 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 77 + HB3 ASP 77 OK 100 100 100 100 2.1-3.1 7270=100, 7269/1.8=72...(8) 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 2.3-3.0 3.0=100 HA HIS 105 - HB3 ASP 77 far 0 87 0 - 7.7-20.2 Violated in 0 structures by 0.00 A. Peak 3469 from cnoeabs.peaks (3.21, 2.63, 40.23 ppm; 2.74 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASP 77 + HB3 ASP 77 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 106 - HB3 ASP 77 far 0 87 0 - 7.0-23.1 HD3 ARG 46 - HB3 ASP 77 far 0 96 0 - 9.7-11.2 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; 4.71 A increased from 4.19 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 78 + HB3 ASP 77 OK 100 100 100 100 4.4-4.7 4.4=100 H LEU 64 - HB3 ASP 65 far 0 61 0 - 5.2-5.6 H SER 49 - HB3 ASP 77 far 0 79 0 - 7.1-8.7 H ASN 60 - HB3 ASP 65 far 0 85 0 - 9.4-9.8 H MET 74 - HB3 ASP 77 far 0 99 0 - 9.8-10.2 Violated in 0 structures by 0.00 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 SER 49 - HA VAL 78 far 0 79 0 - 9.9-11.7 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 2.3-2.4 3.0=100 HB ILE 56 - HA VAL 78 far 0 95 0 - 6.2-6.9 HB2 GLU 104 - HA VAL 78 far 0 79 0 - 8.4-20.0 HG3 ARG 46 - HA VAL 78 far 0 100 0 - 9.1-10.9 HB2 LEU 42 - HA VAL 78 far 0 82 0 - 9.6-10.2 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 99 100 100 99 3.2-3.2 3.2=95, 4.3/7284=33...(14) QG1 VAL 78 + HA VAL 78 OK 87 87 100 100 2.3-2.5 3.2=95, 12126/10348=38...(15) QD1 ILE 56 - HA VAL 78 far 0 97 0 - 4.6-5.2 HG13 ILE 56 - HA VAL 78 far 0 100 0 - 6.1-6.9 QD1 ILE 52 - HA VAL 78 far 0 82 0 - 6.7-8.0 QD1 LEU 42 - HA VAL 78 far 0 71 0 - 6.7-7.3 QG1 VAL 5 - HA VAL 78 far 0 100 0 - 7.6-8.2 QD1 LEU 64 - HA VAL 78 far 0 92 0 - 8.5-9.4 QD2 LEU 6 - HA VAL 78 far 0 68 0 - 8.5-9.1 HG3 ARG 81 - HA VAL 78 far 0 94 0 - 9.1-12.1 QG1 VAL 58 - HA VAL 78 far 0 100 0 - 9.3-9.8 QD1 ILE 8 - HA VAL 78 far 0 98 0 - 9.4-10.0 QD2 LEU 27 - HA VAL 78 far 0 99 0 - 9.9-10.7 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 2.3-2.5 3.2=95, 6898/11101=34...(16) QG2 VAL 78 + HA VAL 78 OK 86 87 100 99 3.2-3.2 3.2=95, 4.3/7284=33...(13) QG1 VAL 54 - HA VAL 78 far 0 96 0 - 4.0-4.6 QD1 ILE 56 - HA VAL 78 far 0 61 0 - 4.6-5.2 QD2 LEU 42 - HA VAL 78 far 0 91 0 - 4.9-5.4 QG2 ILE 52 - HA VAL 78 far 0 71 0 - 5.4-6.4 HG13 ILE 56 - HA VAL 78 far 0 75 0 - 6.1-6.9 QD1 LEU 6 - HA VAL 78 far 0 85 0 - 6.3-6.8 QG1 VAL 5 - HA VAL 78 far 0 93 0 - 7.6-8.2 QD1 LEU 64 - HA VAL 78 far 0 100 0 - 8.5-9.4 QD1 LEU 27 - HA VAL 78 far 0 88 0 - 8.8-9.9 HG3 ARG 81 - HA VAL 78 far 0 100 0 - 9.1-12.1 QG1 VAL 58 - HA VAL 78 far 0 85 0 - 9.3-9.8 QD1 ILE 8 - HA VAL 78 far 0 65 0 - 9.4-10.0 QD2 LEU 27 - HA VAL 78 far 0 96 0 - 9.9-10.7 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...(15) H VAL 54 + HA VAL 78 OK 93 99 100 94 2.1-2.7 11101=61, 6898/3.2=40...(10) H LYS 53 - HA VAL 78 far 0 73 0 - 6.1-6.7 Violated in 0 structures by 0.00 A. Peak 3478 from cnoeabs.peaks (7.75, 1.78, 35.29 ppm; 4.06 A increased from 3.83 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 78 + HB VAL 78 OK 100 100 100 100 3.8-3.9 3.8=100 H MET 74 - HB VAL 78 far 0 99 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 3479 from cnoeabs.peaks (5.19, 1.78, 35.29 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 78 + HB VAL 78 OK 100 100 100 100 2.3-2.4 3.0=100 HA VAL 54 - HB VAL 78 far 0 71 0 - 4.5-5.1 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 62 97 90 71 2.5-3.3 2595=24, 2.1/9686=23...(9) HG13 ILE 56 - HB VAL 78 far 0 100 0 - 4.0-4.7 QD1 LEU 42 - HB VAL 78 far 0 71 0 - 5.2-5.8 QG1 VAL 5 - HB VAL 78 far 0 100 0 - 7.0-7.6 QD1 ILE 52 - HB VAL 78 far 0 82 0 - 7.2-8.7 QD1 LEU 64 - HB VAL 78 far 0 92 0 - 7.3-8.5 QD2 LEU 6 - HB VAL 78 far 0 68 0 - 7.4-7.6 QD1 ILE 8 - HB VAL 78 far 0 98 0 - 7.5-8.2 QG1 VAL 58 - HB VAL 78 far 0 100 0 - 7.6-8.3 HG3 ARG 81 - HB VAL 78 far 0 94 0 - 8.9-11.3 Violated in 0 structures by 0.00 A. Peak 3482 from cnoeabs.peaks (0.74, 1.78, 35.29 ppm; 2.94 A): 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 QD1 ILE 56 + HB VAL 78 OK 38 61 95 66 2.5-3.3 2.1/9686=24, 2.1/2587=15...(10) QG1 VAL 54 + HB VAL 78 OK 21 96 25 90 3.1-3.5 2.1/10349=33, ~12126=27...(15) QD2 LEU 42 - HB VAL 78 far 0 91 0 - 3.7-4.3 HG13 ILE 56 - HB VAL 78 far 0 75 0 - 4.0-4.7 QD1 LEU 6 - HB VAL 78 far 0 85 0 - 4.9-5.2 QG2 ILE 52 - HB VAL 78 far 0 71 0 - 6.0-7.4 QG1 VAL 5 - HB VAL 78 far 0 93 0 - 7.0-7.6 QD1 LEU 64 - HB VAL 78 far 0 100 0 - 7.3-8.5 QD1 ILE 8 - HB VAL 78 far 0 65 0 - 7.5-8.2 QG1 VAL 58 - HB VAL 78 far 0 85 0 - 7.6-8.3 HG3 ARG 81 - HB VAL 78 far 0 100 0 - 8.9-11.3 QD1 LEU 27 - HB VAL 78 far 0 88 0 - 9.5-10.3 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 2.6-3.0 7285=100, 7284/3.0=78...(15) H VAL 54 + HB VAL 78 OK 93 99 95 99 3.2-4.4 6898/2.1=83...(7) H LYS 53 - HB VAL 78 far 0 73 0 - 7.3-8.4 H ALA 67 - HB VAL 78 far 0 93 0 - 9.1-9.9 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 9 assignments used, quality = 0.99: * H VAL 78 + QG2 VAL 78 OK 97 100 100 97 2.2-2.4 4.0=61, 7280/2.1=40...(12) H VAL 78 + QG1 VAL 78 OK 66 68 100 97 2.6-2.8 4.0=61, 7279/2.1=40...(15) H MET 74 - QG1 VAL 78 far 0 66 0 - 6.1-6.6 H MET 74 - QG2 VAL 78 far 0 99 0 - 6.4-6.6 H SER 49 - QG1 VAL 78 far 0 46 0 - 7.6-8.7 H LYS 20 - QG1 VAL 5 far 0 40 0 - 7.7-8.5 HE ARG 30 - QG1 VAL 5 far 0 44 0 - 8.0-9.9 H LEU 64 - QG2 VAL 78 far 0 63 0 - 9.2-9.6 H VAL 78 - QG1 VAL 5 far 0 76 0 - 9.9-10.5 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 3.2-3.2 3.2=100 HA VAL 78 + QG1 VAL 78 OK 68 68 100 100 2.3-2.5 3.2=100 HA VAL 54 - QG1 VAL 78 far 0 41 0 - 4.2-4.5 HA VAL 54 - QG1 VAL 5 far 0 47 0 - 5.1-5.7 HA VAL 54 - QG2 VAL 78 far 0 71 0 - 5.8-6.3 HA VAL 78 - QG1 VAL 5 far 0 76 0 - 7.6-8.2 Violated in 0 structures by 0.00 A. Peak 3486 from cnoeabs.peaks (1.78, 0.72, 21.10 ppm; 2.96 A): 2 out of 22 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 far 0 95 0 - 3.8-4.1 HB ILE 93 - QG1 VAL 5 far 0 61 0 - 4.7-5.3 HB ILE 56 - QG1 VAL 78 far 0 60 0 - 5.2-5.9 HG3 ARG 46 - QG1 VAL 78 far 0 66 0 - 5.3-7.3 HB2 LEU 42 - QG1 VAL 78 far 0 49 0 - 5.5-5.9 HG3 ARG 19 - QG1 VAL 5 far 0 64 0 - 5.8-7.5 HB ILE 56 - QG1 VAL 5 far 0 67 0 - 6.2-6.7 HB2 LEU 42 - QG2 VAL 78 far 0 82 0 - 6.6-7.3 HB VAL 78 - QG1 VAL 5 far 0 76 0 - 7.0-7.6 HG3 ARG 46 - QG2 VAL 78 far 0 100 0 - 7.1-9.3 HB2 GLU 28 - QG1 VAL 5 far 0 40 0 - 7.1-7.8 HB2 GLU 104 - QG2 VAL 78 far 0 79 0 - 7.5-19.7 HB2 GLU 88 - QG1 VAL 5 far 0 53 0 - 8.3-9.2 HB2 LYS 90 - QG1 VAL 5 far 0 48 0 - 8.4-9.1 HB2 LYS 66 - QG2 VAL 78 far 0 97 0 - 8.6-8.9 HB2 LYS 39 - QG1 VAL 78 far 0 59 0 - 8.7-9.7 HB2 LYS 39 - QG2 VAL 78 far 0 94 0 - 8.9-10.2 HB2 GLU 104 - QG1 VAL 78 far 0 46 0 - 9.0-17.8 HB2 GLU 28 - QG1 VAL 78 far 0 34 0 - 9.7-10.5 HB2 LYS 66 - QG1 VAL 78 far 0 62 0 - 9.9-10.6 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): 2 out of 15 assignments used, quality = 1.00: * H ARG 79 + QG2 VAL 78 OK 99 100 100 99 3.0-3.7 7285/2.1=65, 7284/3.2=61...(13) H VAL 54 + QG1 VAL 78 OK 62 65 100 96 2.4-3.1 6896/12126=55...(9) H ARG 79 - QG1 VAL 78 far 3 68 5 - 3.9-4.0 H VAL 54 - QG2 VAL 78 far 0 99 0 - 4.6-5.2 H LYS 53 - QG1 VAL 78 far 0 42 0 - 5.6-6.4 H ARG 79 - QG1 VAL 5 far 0 76 0 - 6.4-7.1 H ALA 67 - QG2 VAL 78 far 0 93 0 - 6.6-6.9 H THR 31 - QG1 VAL 5 far 0 76 0 - 6.9-7.3 H VAL 32 - QG1 VAL 5 far 0 65 0 - 6.9-7.3 H VAL 54 - QG1 VAL 5 far 0 74 0 - 7.0-7.8 H LYS 53 - QG2 VAL 78 far 0 73 0 - 7.9-8.6 H ALA 67 - QG1 VAL 78 far 0 58 0 - 8.3-9.0 H LYS 53 - QG1 VAL 5 far 0 48 0 - 8.4-9.1 H ASN 51 - QG1 VAL 78 far 0 38 0 - 8.7-9.7 H LEU 2 - QG1 VAL 78 far 0 65 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 3490 from cnoeabs.peaks (7.75, 0.74, 21.24 ppm; 3.52 A): 2 out of 10 assignments used, quality = 1.00: * H VAL 78 + QG1 VAL 78 OK 99 100 100 99 2.6-2.8 4.0=69, 7279/2.1=42...(15) H VAL 78 + QG2 VAL 78 OK 66 68 100 97 2.2-2.4 4.0=69, 7280/2.1=43...(12) H MET 74 - QG1 VAL 78 far 0 99 0 - 6.1-6.6 H VAL 78 - QG1 VAL 54 far 0 83 0 - 6.1-6.4 H MET 74 - QG2 VAL 78 far 0 66 0 - 6.4-6.6 HE ARG 30 - QG1 VAL 54 far 0 49 0 - 7.2-8.9 H SER 49 - QG1 VAL 78 far 0 79 0 - 7.6-8.7 H SER 49 - QG1 VAL 54 far 0 59 0 - 8.7-10.4 H LEU 64 - QG2 VAL 78 far 0 36 0 - 9.2-9.6 H MET 74 - QG1 VAL 54 far 0 81 0 - 9.3-10.0 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 2.3-2.5 3.2=93, 3475/2.1=33...(17) HA VAL 78 + QG2 VAL 78 OK 67 68 100 99 3.2-3.2 3.2=93, 3476/2.1=34...(13) HA VAL 54 + QG1 VAL 54 OK 52 53 100 99 2.2-2.4 3.2=93, 3.6/6905=37...(11) HA VAL 78 - QG1 VAL 54 far 0 83 0 - 4.0-4.6 HA VAL 54 - QG1 VAL 78 far 0 71 0 - 4.2-4.5 HA VAL 54 - QG2 VAL 78 far 0 41 0 - 5.8-6.3 Violated in 0 structures by 0.00 A. Peak 3492 from cnoeabs.peaks (1.78, 0.74, 21.24 ppm; 2.91 A): 2 out of 23 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 poor 18 83 25 89 3.1-3.5 10349/2.1=32, ~12126=26...(15) HB ILE 56 - QG2 VAL 78 far 0 60 0 - 3.8-4.1 HB ILE 56 - QG1 VAL 54 far 0 75 0 - 4.6-5.1 HB ILE 56 - QG1 VAL 78 far 0 95 0 - 5.2-5.9 HG3 ARG 46 - QG1 VAL 78 far 0 100 0 - 5.3-7.3 HB2 LEU 42 - QG1 VAL 78 far 0 82 0 - 5.5-5.9 HB2 LEU 42 - QG1 VAL 54 far 0 62 0 - 6.0-6.8 HB2 GLU 28 - QG1 VAL 54 far 0 44 0 - 6.5-7.2 HB2 LEU 42 - QG2 VAL 78 far 0 49 0 - 6.6-7.3 HG3 ARG 46 - QG2 VAL 78 far 0 66 0 - 7.1-9.3 HB2 GLU 104 - QG2 VAL 78 far 0 46 0 - 7.5-19.7 HG3 ARG 46 - QG1 VAL 54 far 0 82 0 - 7.6-9.6 HB2 LYS 66 - QG2 VAL 78 far 0 62 0 - 8.6-8.9 HB2 LYS 39 - QG1 VAL 78 far 0 94 0 - 8.7-9.7 HB2 LYS 39 - QG2 VAL 78 far 0 59 0 - 8.9-10.2 HB2 GLU 104 - QG1 VAL 78 far 0 79 0 - 9.0-17.8 HB2 LYS 39 - QG1 VAL 54 far 0 74 0 - 9.3-9.9 HG3 ARG 19 - QG1 VAL 54 far 0 71 0 - 9.6-11.5 HB2 GLU 28 - QG1 VAL 78 far 0 61 0 - 9.7-10.5 HB ILE 93 - QG1 VAL 54 far 0 68 0 - 9.8-10.5 HB2 LYS 66 - QG1 VAL 78 far 0 97 0 - 9.9-10.6 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): 2 out of 17 assignments used, quality = 1.00: H VAL 54 + QG1 VAL 78 OK 99 99 100 99 2.4-3.1 6898=92, 11101/3.2=47...(10) H ARG 79 + QG2 VAL 78 OK 67 68 100 98 3.0-3.7 7285/2.1=60, 7284/3.2=57...(11) H VAL 54 - QG1 VAL 54 far 0 81 0 - 3.8-4.0 ! H ARG 79 - QG1 VAL 78 far 0 100 0 - 3.9-4.0 H ARG 79 - QG1 VAL 54 far 0 83 0 - 4.3-4.8 H VAL 54 - QG2 VAL 78 far 0 65 0 - 4.6-5.2 H LYS 53 - QG1 VAL 78 far 0 73 0 - 5.6-6.4 H LYS 53 - QG1 VAL 54 far 0 54 0 - 5.8-6.2 H ALA 67 - QG2 VAL 78 far 0 58 0 - 6.6-6.9 H THR 31 - QG1 VAL 54 far 0 83 0 - 7.5-8.3 H VAL 32 - QG1 VAL 54 far 0 72 0 - 7.7-8.3 H LYS 53 - QG2 VAL 78 far 0 42 0 - 7.9-8.6 H ALA 67 - QG1 VAL 78 far 0 93 0 - 8.3-9.0 H ASN 51 - QG1 VAL 78 far 0 68 0 - 8.7-9.7 H ALA 67 - QG1 VAL 54 far 0 72 0 - 8.8-9.4 H LEU 2 - QG1 VAL 78 far 0 99 0 - 9.3-10.3 H LEU 2 - QG1 VAL 54 far 0 80 0 - 9.6-10.1 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 28 99 100 28 6.0-6.7 ~2481=17, 3505/3.0=11 H LYS 53 - HA ARG 79 far 0 73 0 - 9.6-10.3 H ALA 67 - HA ARG 79 far 0 93 0 - 9.8-10.8 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 2.5-2.9 3.0=100 HB2 LEU 103 - HA ARG 79 far 0 96 0 - 7.8-21.7 HG LEU 103 - HA ARG 79 far 0 94 0 - 9.0-19.1 Violated in 0 structures by 0.00 A. Peak 3499 from cnoeabs.peaks (1.65, 4.71, 54.12 ppm; 6.50 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ARG 79 + HA ARG 79 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 68 - HA ARG 79 far 0 100 0 - 7.2-9.5 HD2 LYS 68 - HA ARG 79 far 0 100 0 - 7.8-9.6 HG2 LYS 68 - HA ARG 79 far 0 98 0 - 7.8-9.0 HB3 LYS 53 - HA ARG 79 far 0 75 0 - 7.8-8.9 HB ILE 76 - HA ARG 79 far 0 99 0 - 8.3-9.1 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 6 assignments used, quality = 1.00: HG3 ARG 79 + HA ARG 79 OK 100 100 100 100 2.1-3.6 4.1=91, 7301/7298=59...(23) * HG2 ARG 79 + HA ARG 79 OK 100 100 100 100 3.1-4.2 4.1=91, 3525/3.0=81...(23) HG12 ILE 56 - HA ARG 79 far 0 100 0 - 5.8-6.3 HB3 LEU 103 - HA ARG 79 far 0 99 0 - 6.7-21.2 HD3 LYS 53 - HA ARG 79 far 0 94 0 - 6.8-8.7 HG LEU 57 - HA ARG 79 far 0 71 0 - 9.2-10.4 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 6 assignments used, quality = 1.00: * HG3 ARG 79 + HA ARG 79 OK 100 100 100 100 2.1-3.6 4.1=91, 7302/7298=59...(23) HG2 ARG 79 + HA ARG 79 OK 100 100 100 100 3.1-4.2 4.1=91, 3534/3.0=81...(23) HG12 ILE 56 - HA ARG 79 far 0 100 0 - 5.8-6.3 HB3 LEU 103 - HA ARG 79 far 0 98 0 - 6.7-21.2 HD3 LYS 53 - HA ARG 79 far 0 95 0 - 6.8-8.7 HG LEU 57 - HA ARG 79 far 0 70 0 - 9.2-10.4 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 3 assignments used, quality = 1.00: * HD2 ARG 79 + HA ARG 79 OK 100 100 100 100 2.1-4.1 3551=55, 3541/3.0=49...(24) HD3 ARG 79 + HA ARG 79 OK 95 100 95 100 2.7-5.3 5.3=55, 1.8/3551=50...(24) HB2 PHE 96 - HA ARG 79 far 0 82 0 - 8.9-11.2 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 3 assignments used, quality = 1.00: HD2 ARG 79 + HA ARG 79 OK 100 100 100 100 2.1-4.1 3551=55, 3541/3.0=49...(24) * HD3 ARG 79 + HA ARG 79 OK 95 100 95 100 2.7-5.3 5.3=55, 1.8/3551=50...(24) HB2 PHE 96 - HA ARG 79 far 0 85 0 - 8.9-11.2 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): 1 out of 3 assignments used, quality = 1.00: * H ARG 79 + HB2 ARG 79 OK 100 100 100 100 2.2-3.0 4.1=100 H VAL 54 - HB2 ARG 79 poor 14 99 30 46 4.8-6.1 11101/9690=28...(3) H LYS 53 - HB2 ARG 79 far 0 73 0 - 7.7-9.1 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 1 assignment used, quality = 1.00: * HA ARG 79 + HB2 ARG 79 OK 100 100 100 100 2.5-2.9 3.0=100 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 4 assignments used, quality = 1.00: * HB3 ARG 79 + HB2 ARG 79 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 53 - HB2 ARG 79 far 0 75 0 - 5.4-7.2 HB ILE 76 - HB2 ARG 79 far 0 99 0 - 9.3-9.8 HD3 LYS 68 - HB2 ARG 79 far 0 100 0 - 9.4-12.2 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 2.5-2.9 3.0=100 HG3 ARG 79 + HB2 ARG 79 OK 100 100 100 100 2.7-3.0 3.0=100 HD3 LYS 53 - HB2 ARG 79 far 0 94 0 - 4.6-6.6 HB3 LEU 103 - HB2 ARG 79 far 0 99 0 - 5.7-18.8 HG12 ILE 56 - HB2 ARG 79 far 0 100 0 - 5.8-6.8 HG LEU 57 - HB2 ARG 79 far 0 71 0 - 8.3-9.8 HG LEU 6 - HB2 ARG 79 far 0 99 0 - 9.6-11.1 HB2 LEU 3 - HB2 ARG 79 far 0 93 0 - 9.8-11.8 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: HG2 ARG 79 + HB2 ARG 79 OK 100 100 100 100 2.5-2.9 3.0=100 * HG3 ARG 79 + HB2 ARG 79 OK 100 100 100 100 2.7-3.0 3.0=100 HD3 LYS 53 - HB2 ARG 79 far 0 95 0 - 4.6-6.6 HB3 LEU 103 - HB2 ARG 79 far 0 98 0 - 5.7-18.8 HG12 ILE 56 - HB2 ARG 79 far 0 100 0 - 5.8-6.8 HG LEU 57 - HB2 ARG 79 far 0 70 0 - 8.3-9.8 HG LEU 6 - HB2 ARG 79 far 0 99 0 - 9.6-11.1 HB2 LEU 3 - HB2 ARG 79 far 0 94 0 - 9.8-11.8 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 4 assignments used, quality = 1.00: * HD2 ARG 79 + HB2 ARG 79 OK 100 100 100 100 2.1-3.5 3.8=100 HD3 ARG 79 + HB2 ARG 79 OK 100 100 100 100 2.2-3.5 3.8=100 HB2 PHE 96 - HB2 ARG 79 far 0 82 0 - 6.6-9.4 HB2 TRP 92 - HB2 ARG 79 far 0 79 0 - 8.9-11.1 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 4 assignments used, quality = 1.00: * HD3 ARG 79 + HB2 ARG 79 OK 100 100 100 100 2.2-3.5 3.8=100 HD2 ARG 79 + HB2 ARG 79 OK 100 100 100 100 2.1-3.5 3.8=100 HB2 PHE 96 - HB2 ARG 79 far 0 85 0 - 6.6-9.4 HB2 TRP 92 - HB2 ARG 79 far 0 82 0 - 8.9-11.1 Violated in 0 structures by 0.00 A. Peak 3513 from cnoeabs.peaks (8.42, 1.60, 31.20 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * H THR 80 + HB2 ARG 79 OK 100 100 100 100 3.8-4.7 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 2.9-3.8 4.1=100 H VAL 54 - HB3 ARG 79 far 0 99 0 - 5.8-7.4 H LYS 53 - HB3 ARG 79 far 0 73 0 - 8.8-10.6 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 2.4-3.0 3.0=100 HA LYS 82 - HB3 ARG 79 far 0 99 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 3516 from cnoeabs.peaks (1.60, 1.65, 31.20 ppm; 3.19 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 79 + HB3 ARG 79 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 103 - HB3 ARG 79 far 0 96 0 - 7.1-20.7 HG LEU 103 - HB3 ARG 79 far 0 94 0 - 7.6-18.5 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 7 assignments used, quality = 1.00: * HG2 ARG 79 + HB3 ARG 79 OK 100 100 100 100 2.2-2.4 3.0=100 HG3 ARG 79 + HB3 ARG 79 OK 100 100 100 100 2.5-2.9 3.0=100 HG12 ILE 56 - HB3 ARG 79 far 0 100 0 - 5.9-6.7 HB3 LEU 103 - HB3 ARG 79 far 0 99 0 - 5.9-20.2 HD3 LYS 53 - HB3 ARG 79 far 0 94 0 - 6.1-8.2 HG LEU 57 - HB3 ARG 79 far 0 71 0 - 6.9-8.8 HG LEU 6 - HB3 ARG 79 far 0 99 0 - 9.7-11.3 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 7 assignments used, quality = 1.00: HG2 ARG 79 + HB3 ARG 79 OK 100 100 100 100 2.2-2.4 3.0=100 * HG3 ARG 79 + HB3 ARG 79 OK 100 100 100 100 2.5-2.9 3.0=100 HG12 ILE 56 - HB3 ARG 79 far 0 100 0 - 5.9-6.7 HB3 LEU 103 - HB3 ARG 79 far 0 98 0 - 5.9-20.2 HD3 LYS 53 - HB3 ARG 79 far 0 95 0 - 6.1-8.2 HG LEU 57 - HB3 ARG 79 far 0 70 0 - 6.9-8.8 HG LEU 6 - HB3 ARG 79 far 0 99 0 - 9.7-11.3 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 4 assignments used, quality = 1.00: * HD2 ARG 79 + HB3 ARG 79 OK 100 100 100 100 3.4-4.2 3.8=100 HD3 ARG 79 + HB3 ARG 79 OK 100 100 100 100 2.9-4.2 3.8=100 HB2 PHE 96 - HB3 ARG 79 far 0 82 0 - 6.0-9.5 HB2 TRP 92 - HB3 ARG 79 far 0 79 0 - 7.7-10.1 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 4 assignments used, quality = 1.00: * HD3 ARG 79 + HB3 ARG 79 OK 100 100 100 100 2.9-4.2 3.8=100 HD2 ARG 79 + HB3 ARG 79 OK 100 100 100 100 3.4-4.2 3.8=100 HB2 PHE 96 - HB3 ARG 79 far 0 85 0 - 6.0-9.5 HB2 TRP 92 - HB3 ARG 79 far 0 82 0 - 7.7-10.1 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 2.5-4.3 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): 3 out of 17 assignments used, quality = 0.96: H LEU 2 + HG LEU 2 OK 80 81 100 98 2.1-2.9 6012=82, ~49=40, ~77=32...(10) H THR 31 + HG3 ARG 30 OK 72 72 100 100 3.4-4.3 6496=80, 6493/2.9=71...(10) H ARG 79 + HG3 ARG 79 OK 35 100 35 100 2.6-4.6 4.7=72, 7289/3.0=67...(17) H ASN 51 - HG LEU 2 poor 18 50 35 - 3.8-5.1 ! H ARG 79 - HG2 ARG 79 far 5 100 5 - 3.9-4.8 H LYS 53 - HG LEU 2 far 0 55 0 - 5.0-6.6 H VAL 54 - HG3 ARG 79 far 0 99 0 - 5.9-8.5 H THR 31 - HG LEU 6 far 0 82 0 - 6.0-6.6 H VAL 32 - HG LEU 6 far 0 72 0 - 6.8-7.2 H VAL 54 - HG2 ARG 79 far 0 99 0 - 6.9-8.2 H VAL 54 - HG LEU 6 far 0 80 0 - 7.1-7.8 H VAL 32 - HG3 ARG 30 far 0 62 0 - 7.4-8.2 H ARG 79 - HG LEU 6 far 0 82 0 - 8.1-8.6 H VAL 54 - HG LEU 2 far 0 82 0 - 9.1-10.5 H LYS 53 - HG LEU 6 far 0 53 0 - 9.1-9.7 H LYS 53 - HG3 ARG 79 far 0 73 0 - 9.1-11.4 H LYS 53 - HG2 ARG 79 far 0 73 0 - 9.6-10.9 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 3 assignments used, quality = 1.00: HA ARG 79 + HG3 ARG 79 OK 100 100 100 100 2.1-3.6 4.1=76, 7298/7301=52...(23) * HA ARG 79 + HG2 ARG 79 OK 95 100 95 100 3.1-4.2 4.1=76, 3.0/3525=75...(23) HA LYS 82 - HG3 ARG 79 far 0 98 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 3525 from cnoeabs.peaks (1.60, 1.53, 26.76 ppm; 2.65 A): 1 out of 17 assignments used, quality = 0.91: * HB2 ARG 79 + HG2 ARG 79 OK 91 100 100 91 2.5-2.9 3.0=71, 7289/4.7=15...(14) HB2 ARG 30 - HG3 ARG 30 poor 18 72 25 - 2.4-3.0 HB2 ARG 79 - HG3 ARG 79 far 15 100 15 - 2.7-3.0 HB2 ARG 30 - HG LEU 6 far 0 82 0 - 4.1-4.6 HB2 LEU 103 - HG2 ARG 79 far 0 96 0 - 4.8-19.7 HB3 LEU 29 - HG3 ARG 30 far 0 72 0 - 5.5-7.6 HG LEU 103 - HG2 ARG 79 far 0 94 0 - 5.5-17.3 HB2 LEU 103 - HG3 ARG 79 far 0 96 0 - 5.6-20.9 HB3 GLU 28 - HG3 ARG 30 far 0 39 0 - 6.0-8.0 HG LEU 103 - HG3 ARG 79 far 0 94 0 - 6.9-18.3 HG2 ARG 19 - HG3 ARG 30 far 0 66 0 - 7.3-11.5 HB3 LEU 29 - HG LEU 6 far 0 82 0 - 7.7-8.1 HB3 GLU 28 - HG LEU 6 far 0 45 0 - 8.1-8.6 HB3 GLU 28 - HG LEU 2 far 0 47 0 - 8.7-9.4 HG LEU 103 - HG LEU 2 far 0 75 0 - 9.0-20.0 HG2 ARG 19 - HG LEU 6 far 0 76 0 - 9.3-11.9 HB2 ARG 79 - HG LEU 6 far 0 82 0 - 9.6-11.1 Violated in 3 structures by 0.01 A. Peak 3526 from cnoeabs.peaks (1.65, 1.53, 26.76 ppm; 2.94 A): 3 out of 20 assignments used, quality = 1.00: HB3 ARG 79 + HG3 ARG 79 OK 99 100 100 99 2.5-2.9 3.0=96, 7300/7301=20...(15) * HB3 ARG 79 + HG2 ARG 79 OK 99 100 100 99 2.2-2.4 3.0=96, 7290/4.7=20...(14) HB3 LEU 6 + HG LEU 6 OK 80 81 100 99 3.0-3.0 3.0=97, 6065/6066=27...(8) HB ILE 52 - HG LEU 2 far 0 77 0 - 3.6-5.1 HB3 LEU 6 - HG3 ARG 30 far 0 72 0 - 6.6-7.7 HB3 LYS 53 - HG LEU 2 far 0 57 0 - 7.1-8.7 HB3 LYS 53 - HG2 ARG 79 far 0 75 0 - 7.2-8.5 HB3 LYS 53 - HG3 ARG 79 far 0 75 0 - 7.3-9.1 HB2 LYS 40 - HG3 ARG 30 far 0 71 0 - 7.9-10.8 HD3 LYS 68 - HG3 ARG 79 far 0 100 0 - 8.6-10.7 HD2 LYS 68 - HG3 ARG 79 far 0 100 0 - 8.7-10.9 HB3 LEU 6 - HG3 ARG 79 far 0 100 0 - 8.9-12.8 HB2 LYS 40 - HG LEU 6 far 0 80 0 - 9.0-10.0 HB3 LYS 40 - HG3 ARG 30 far 0 50 0 - 9.1-11.5 HB3 LYS 53 - HG LEU 6 far 0 55 0 - 9.5-10.3 HB ILE 76 - HG LEU 6 far 0 79 0 - 9.6-10.2 HD2 LYS 68 - HG2 ARG 79 far 0 100 0 - 9.6-12.4 HB3 ARG 79 - HG LEU 6 far 0 82 0 - 9.7-11.3 HB ILE 76 - HG3 ARG 79 far 0 99 0 - 9.9-11.6 HG2 LYS 68 - HG3 ARG 79 far 0 98 0 - 10.0-10.6 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 13 assignments used, quality = 1.00: HD2 ARG 79 + HG3 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 ARG 79 + HG2 ARG 79 OK 100 100 100 100 2.6-3.0 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 2.5-3.0 3.0=100 HD3 ARG 30 + HG3 ARG 30 OK 69 69 100 100 2.3-3.0 3.0=100 HD3 ARG 30 - HG LEU 6 far 0 78 0 - 6.1-7.2 HB2 PHE 96 - HG2 ARG 79 far 0 82 0 - 6.4-8.8 HB2 PHE 96 - HG3 ARG 79 far 0 82 0 - 7.7-9.7 HB2 TRP 92 - HG2 ARG 79 far 0 79 0 - 8.3-9.4 HB2 TRP 92 - HG3 ARG 79 far 0 79 0 - 8.5-10.7 HD2 ARG 79 - HG LEU 6 far 0 82 0 - 8.7-13.6 HD3 ARG 79 - HG LEU 6 far 0 82 0 - 9.0-13.5 HB3 HIS 105 - HG2 ARG 79 far 0 100 0 - 9.4-18.6 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 13 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 2.5-3.0 3.0=100 HD2 ARG 79 + HG2 ARG 79 OK 100 100 100 100 2.6-3.0 3.0=100 HD2 ARG 79 + HG3 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 30 + HG3 ARG 30 OK 70 70 100 100 2.3-3.0 3.0=100 HD3 ARG 30 - HG LEU 6 far 0 79 0 - 6.1-7.2 HB2 PHE 96 - HG2 ARG 79 far 0 85 0 - 6.4-8.8 HB2 PHE 96 - HG3 ARG 79 far 0 85 0 - 7.7-9.7 HB2 TRP 92 - HG2 ARG 79 far 0 82 0 - 8.3-9.4 HB2 TRP 92 - HG3 ARG 79 far 0 82 0 - 8.5-10.7 HD2 ARG 79 - HG LEU 6 far 0 82 0 - 8.7-13.6 HD3 ARG 79 - HG LEU 6 far 0 82 0 - 9.0-13.5 HB3 HIS 105 - HG2 ARG 79 far 0 99 0 - 9.4-18.6 Violated in 0 structures by 0.00 A. Peak 3531 from cnoeabs.peaks (8.42, 1.53, 26.76 ppm; 4.57 A): 1 out of 4 assignments used, quality = 1.00: H THR 80 + HG3 ARG 79 OK 100 100 100 100 3.7-3.8 7301=100, 7298/4.1=75...(11) ! H THR 80 - HG2 ARG 79 far 10 100 10 - 3.9-5.3 H LEU 29 - HG3 ARG 30 far 0 42 0 - 4.9-6.9 H LEU 29 - HG LEU 6 far 0 49 0 - 7.6-8.1 Violated in 0 structures by 0.00 A. Peak 3532 from cnoeabs.peaks (8.50, 1.53, 26.76 ppm; 4.17 A): 3 out of 17 assignments used, quality = 0.96: H LEU 2 + HG LEU 2 OK 78 79 100 98 2.1-2.9 6012=80, ~49=40, ~77=32...(10) H THR 31 + HG3 ARG 30 OK 72 72 100 100 3.4-4.3 6496=80, 6493/2.9=71...(10) * H ARG 79 + HG3 ARG 79 OK 35 100 35 100 2.6-4.6 4.7=72, 7289/3.0=67...(17) H ASN 51 - HG LEU 2 poor 17 49 35 - 3.8-5.1 H ARG 79 - HG2 ARG 79 far 5 100 5 - 3.9-4.8 H LYS 53 - HG LEU 2 far 0 53 0 - 5.0-6.6 H VAL 54 - HG3 ARG 79 far 0 99 0 - 5.9-8.5 H THR 31 - HG LEU 6 far 0 81 0 - 6.0-6.6 H VAL 32 - HG LEU 6 far 0 71 0 - 6.8-7.2 H VAL 54 - HG2 ARG 79 far 0 99 0 - 6.9-8.2 H VAL 54 - HG LEU 6 far 0 79 0 - 7.1-7.8 H VAL 32 - HG3 ARG 30 far 0 62 0 - 7.4-8.2 H ARG 79 - HG LEU 6 far 0 81 0 - 8.1-8.6 H VAL 54 - HG LEU 2 far 0 80 0 - 9.1-10.5 H LYS 53 - HG LEU 6 far 0 53 0 - 9.1-9.7 H LYS 53 - HG3 ARG 79 far 0 73 0 - 9.1-11.4 H LYS 53 - HG2 ARG 79 far 0 73 0 - 9.6-10.9 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 3 assignments used, quality = 1.00: * HA ARG 79 + HG3 ARG 79 OK 100 100 100 100 2.1-3.6 4.1=76, 7298/7302=52...(22) HA ARG 79 + HG2 ARG 79 OK 95 100 95 100 3.1-4.2 4.1=76, 3.0/3534=75...(23) HA LYS 82 - HG3 ARG 79 far 0 99 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 3534 from cnoeabs.peaks (1.60, 1.53, 26.76 ppm; 2.65 A): 1 out of 17 assignments used, quality = 0.91: HB2 ARG 79 + HG2 ARG 79 OK 91 100 100 91 2.5-2.9 3.0=71, 7289/4.7=15...(14) HB2 ARG 30 - HG3 ARG 30 poor 18 72 25 - 2.4-3.0 ! HB2 ARG 79 - HG3 ARG 79 far 15 100 15 - 2.7-3.0 HB2 ARG 30 - HG LEU 6 far 0 81 0 - 4.1-4.6 HB2 LEU 103 - HG2 ARG 79 far 0 96 0 - 4.8-19.7 HB3 LEU 29 - HG3 ARG 30 far 0 72 0 - 5.5-7.6 HG LEU 103 - HG2 ARG 79 far 0 94 0 - 5.5-17.3 HB2 LEU 103 - HG3 ARG 79 far 0 96 0 - 5.6-20.9 HB3 GLU 28 - HG3 ARG 30 far 0 39 0 - 6.0-8.0 HG LEU 103 - HG3 ARG 79 far 0 94 0 - 6.9-18.3 HG2 ARG 19 - HG3 ARG 30 far 0 66 0 - 7.3-11.5 HB3 LEU 29 - HG LEU 6 far 0 81 0 - 7.7-8.1 HB3 GLU 28 - HG LEU 6 far 0 45 0 - 8.1-8.6 HB3 GLU 28 - HG LEU 2 far 0 45 0 - 8.7-9.4 HG LEU 103 - HG LEU 2 far 0 73 0 - 9.0-20.0 HG2 ARG 19 - HG LEU 6 far 0 75 0 - 9.3-11.9 HB2 ARG 79 - HG LEU 6 far 0 81 0 - 9.6-11.1 Violated in 3 structures by 0.01 A. Peak 3535 from cnoeabs.peaks (1.65, 1.53, 26.76 ppm; 2.94 A): 3 out of 20 assignments used, quality = 1.00: * HB3 ARG 79 + HG3 ARG 79 OK 99 100 100 99 2.5-2.9 3.0=96, 7300/7302=20...(15) HB3 ARG 79 + HG2 ARG 79 OK 99 100 100 99 2.2-2.4 3.0=96, 7290/4.7=20...(14) HB3 LEU 6 + HG LEU 6 OK 79 80 100 99 3.0-3.0 3.0=97, 6065/6066=27...(8) HB ILE 52 - HG LEU 2 far 0 75 0 - 3.6-5.1 HB3 LEU 6 - HG3 ARG 30 far 0 71 0 - 6.6-7.7 HB3 LYS 53 - HG LEU 2 far 0 55 0 - 7.1-8.7 HB3 LYS 53 - HG2 ARG 79 far 0 75 0 - 7.2-8.5 HB3 LYS 53 - HG3 ARG 79 far 0 75 0 - 7.3-9.1 HB2 LYS 40 - HG3 ARG 30 far 0 70 0 - 7.9-10.8 HD3 LYS 68 - HG3 ARG 79 far 0 100 0 - 8.6-10.7 HD2 LYS 68 - HG3 ARG 79 far 0 100 0 - 8.7-10.9 HB3 LEU 6 - HG3 ARG 79 far 0 100 0 - 8.9-12.8 HB2 LYS 40 - HG LEU 6 far 0 79 0 - 9.0-10.0 HB3 LYS 40 - HG3 ARG 30 far 0 50 0 - 9.1-11.5 HB3 LYS 53 - HG LEU 6 far 0 54 0 - 9.5-10.3 HB ILE 76 - HG LEU 6 far 0 78 0 - 9.6-10.2 HD2 LYS 68 - HG2 ARG 79 far 0 100 0 - 9.6-12.4 HB3 ARG 79 - HG LEU 6 far 0 81 0 - 9.7-11.3 HB ILE 76 - HG3 ARG 79 far 0 99 0 - 9.9-11.6 HG2 LYS 68 - HG3 ARG 79 far 0 98 0 - 10.0-10.6 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 13 assignments used, quality = 1.00: * HD2 ARG 79 + HG3 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 79 + HG2 ARG 79 OK 100 100 100 100 2.6-3.0 3.0=100 HD3 ARG 79 + HG3 ARG 79 OK 100 100 100 100 2.5-3.0 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 HD3 ARG 30 - HG LEU 6 far 0 77 0 - 6.1-7.2 HB2 PHE 96 - HG2 ARG 79 far 0 82 0 - 6.4-8.8 HB2 PHE 96 - HG3 ARG 79 far 0 82 0 - 7.7-9.7 HB2 TRP 92 - HG2 ARG 79 far 0 79 0 - 8.3-9.4 HB2 TRP 92 - HG3 ARG 79 far 0 79 0 - 8.5-10.7 HD2 ARG 79 - HG LEU 6 far 0 81 0 - 8.7-13.6 HD3 ARG 79 - HG LEU 6 far 0 81 0 - 9.0-13.5 HB3 HIS 105 - HG2 ARG 79 far 0 100 0 - 9.4-18.6 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 13 assignments used, quality = 1.00: * HD3 ARG 79 + HG3 ARG 79 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 ARG 79 + HG2 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 79 + HG3 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 79 + HG2 ARG 79 OK 100 100 100 100 2.6-3.0 3.0=100 HD3 ARG 30 + HG3 ARG 30 OK 69 69 100 100 2.3-3.0 3.0=100 HD3 ARG 30 - HG LEU 6 far 0 78 0 - 6.1-7.2 HB2 PHE 96 - HG2 ARG 79 far 0 85 0 - 6.4-8.8 HB2 PHE 96 - HG3 ARG 79 far 0 85 0 - 7.7-9.7 HB2 TRP 92 - HG2 ARG 79 far 0 82 0 - 8.3-9.4 HB2 TRP 92 - HG3 ARG 79 far 0 82 0 - 8.5-10.7 HD2 ARG 79 - HG LEU 6 far 0 81 0 - 8.7-13.6 HD3 ARG 79 - HG LEU 6 far 0 81 0 - 9.0-13.5 HB3 HIS 105 - HG2 ARG 79 far 0 99 0 - 9.4-18.6 Violated in 0 structures by 0.00 A. Peak 3540 from cnoeabs.peaks (8.42, 1.53, 26.76 ppm; 4.57 A): 1 out of 4 assignments used, quality = 1.00: * H THR 80 + HG3 ARG 79 OK 100 100 100 100 3.7-3.8 7302=100, 7298/4.1=75...(11) H THR 80 - HG2 ARG 79 far 10 100 10 - 3.9-5.3 H LEU 29 - HG3 ARG 30 far 0 41 0 - 4.9-6.9 H LEU 29 - HG LEU 6 far 0 48 0 - 7.6-8.1 Violated in 0 structures by 0.00 A. Peak 3541 from cnoeabs.peaks (8.50, 3.07, 43.09 ppm; 4.23 A): 2 out of 6 assignments used, quality = 0.93: * H ARG 79 + HD2 ARG 79 OK 90 100 90 100 1.9-5.5 7293=72, 7289/3.8=57...(18) H ARG 79 + HD3 ARG 79 OK 30 100 30 100 3.5-5.6 7289/3.8=57, 7290/3.8=57...(18) H VAL 54 - HD2 ARG 79 far 5 99 5 - 3.9-8.6 H VAL 54 - HD3 ARG 79 far 0 99 0 - 5.0-8.0 H LYS 53 - HD2 ARG 79 far 0 73 0 - 6.9-11.0 H LYS 53 - HD3 ARG 79 far 0 73 0 - 7.3-10.6 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 2.1-4.1 3.0/3541=38, 5.3=36...(23) HA ARG 79 + HD3 ARG 79 OK 84 100 85 99 2.7-5.3 5.3=36, 3502/1.8=30...(24) Violated in 1 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 2.1-3.5 3.8=93, 3525/3.0=74...(17) HB2 ARG 79 + HD3 ARG 79 OK 100 100 100 100 2.2-3.5 3.8=93, 3525/3.0=74...(17) HB2 LEU 103 - HD3 ARG 79 far 0 96 0 - 4.4-18.5 HG LEU 103 - HD3 ARG 79 far 0 94 0 - 5.6-16.0 HB2 LEU 103 - HD2 ARG 79 far 0 96 0 - 6.1-18.1 HG LEU 103 - HD2 ARG 79 far 0 94 0 - 6.9-16.5 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 10 assignments used, quality = 0.99: HB3 ARG 79 + HD3 ARG 79 OK 95 100 95 100 2.9-4.2 3.8=100 * HB3 ARG 79 + HD2 ARG 79 OK 90 100 90 100 3.4-4.2 3.8=100 HB3 LYS 53 - HD2 ARG 79 far 0 75 0 - 5.2-8.6 HB3 LYS 53 - HD3 ARG 79 far 0 75 0 - 5.2-8.1 HB ILE 76 - HD2 ARG 79 far 0 99 0 - 8.7-11.4 HD3 LYS 68 - HD2 ARG 79 far 0 100 0 - 9.0-13.1 HD2 LYS 68 - HD2 ARG 79 far 0 100 0 - 9.4-13.2 HB3 LEU 6 - HD2 ARG 79 far 0 100 0 - 9.6-14.0 HB ILE 76 - HD3 ARG 79 far 0 99 0 - 9.8-11.7 HB3 LEU 6 - HD3 ARG 79 far 0 100 0 - 9.8-14.2 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: HG3 ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.6-3.0 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 2.5-3.0 3.0=100 HB3 LEU 103 - HD3 ARG 79 far 5 98 5 - 3.2-18.2 HD3 LYS 53 - HD3 ARG 79 far 0 94 0 - 3.6-6.7 HD3 LYS 53 - HD2 ARG 79 far 0 94 0 - 4.2-7.3 HB3 LEU 103 - HD2 ARG 79 far 0 99 0 - 4.8-17.6 HG12 ILE 56 - HD2 ARG 79 far 0 100 0 - 5.4-9.2 HG12 ILE 56 - HD3 ARG 79 far 0 100 0 - 6.1-9.6 HG LEU 57 - HD3 ARG 79 far 0 71 0 - 7.8-11.2 HG LEU 6 - HD2 ARG 79 far 0 99 0 - 8.7-13.6 HG LEU 57 - HD2 ARG 79 far 0 71 0 - 8.8-11.9 HB2 LEU 3 - HD3 ARG 79 far 0 93 0 - 8.9-12.2 HG LEU 6 - HD3 ARG 79 far 0 99 0 - 9.0-13.5 HB2 LEU 3 - HD2 ARG 79 far 0 93 0 - 9.5-13.1 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 2.2-3.0 3.0=100 HG2 ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 ARG 79 + HD3 ARG 79 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 ARG 79 + HD3 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 103 - HD3 ARG 79 far 5 98 5 - 3.2-18.2 HD3 LYS 53 - HD3 ARG 79 far 0 95 0 - 3.6-6.7 HD3 LYS 53 - HD2 ARG 79 far 0 95 0 - 4.2-7.3 HB3 LEU 103 - HD2 ARG 79 far 0 98 0 - 4.8-17.6 HG12 ILE 56 - HD2 ARG 79 far 0 100 0 - 5.4-9.2 HG12 ILE 56 - HD3 ARG 79 far 0 100 0 - 6.1-9.6 HG LEU 57 - HD3 ARG 79 far 0 69 0 - 7.8-11.2 HG LEU 6 - HD2 ARG 79 far 0 99 0 - 8.7-13.6 HG LEU 57 - HD2 ARG 79 far 0 70 0 - 8.8-11.9 HB2 LEU 3 - HD3 ARG 79 far 0 94 0 - 8.9-12.2 HG LEU 6 - HD3 ARG 79 far 0 99 0 - 9.0-13.5 HB2 LEU 3 - HD2 ARG 79 far 0 94 0 - 9.5-13.1 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 4.1-5.9 7302/3.0=96, 7300/3.8=83...(11) H THR 80 + HD3 ARG 79 OK 90 100 90 100 4.9-6.2 7302/3.0=96, 7300/3.8=83...(11) Violated in 0 structures by 0.00 A. Peak 3550 from cnoeabs.peaks (8.50, 3.07, 43.09 ppm; 4.27 A): 2 out of 6 assignments used, quality = 0.93: H ARG 79 + HD2 ARG 79 OK 90 100 90 100 1.9-5.5 7294=74, 7289/3.8=58...(18) * H ARG 79 + HD3 ARG 79 OK 30 100 30 100 3.5-5.6 7289/3.8=58, 7290/3.8=58...(18) H VAL 54 - HD2 ARG 79 far 5 99 5 - 3.9-8.6 H VAL 54 - HD3 ARG 79 far 0 99 0 - 5.0-8.0 H LYS 53 - HD2 ARG 79 far 0 73 0 - 6.9-11.0 H LYS 53 - HD3 ARG 79 far 0 73 0 - 7.3-10.6 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 2.1-4.1 3.0/3541=37, 5.3=36...(23) * HA ARG 79 + HD3 ARG 79 OK 79 100 80 99 2.7-5.3 5.3=36, 3502/1.8=30...(24) Violated in 1 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 2.1-3.5 3.8=91, 3525/3.0=73...(17) * HB2 ARG 79 + HD3 ARG 79 OK 100 100 100 100 2.2-3.5 3.8=91, 3525/3.0=73...(17) HB2 LEU 103 - HD3 ARG 79 far 0 96 0 - 4.4-18.5 HG LEU 103 - HD3 ARG 79 far 0 94 0 - 5.6-16.0 HB2 LEU 103 - HD2 ARG 79 far 0 96 0 - 6.1-18.1 HG LEU 103 - HD2 ARG 79 far 0 94 0 - 6.9-16.5 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 10 assignments used, quality = 0.99: * HB3 ARG 79 + HD3 ARG 79 OK 95 100 95 100 2.9-4.2 3.8=100 HB3 ARG 79 + HD2 ARG 79 OK 90 100 90 100 3.4-4.2 3.8=100 HB3 LYS 53 - HD2 ARG 79 far 0 75 0 - 5.2-8.6 HB3 LYS 53 - HD3 ARG 79 far 0 75 0 - 5.2-8.1 HB ILE 76 - HD2 ARG 79 far 0 99 0 - 8.7-11.4 HD3 LYS 68 - HD2 ARG 79 far 0 100 0 - 9.0-13.1 HD2 LYS 68 - HD2 ARG 79 far 0 100 0 - 9.4-13.2 HB3 LEU 6 - HD2 ARG 79 far 0 100 0 - 9.6-14.0 HB ILE 76 - HD3 ARG 79 far 0 99 0 - 9.8-11.7 HB3 LEU 6 - HD3 ARG 79 far 0 100 0 - 9.8-14.2 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 2.5-3.0 3.0=100 HG2 ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 103 - HD3 ARG 79 far 5 99 5 - 3.2-18.2 HD3 LYS 53 - HD3 ARG 79 far 0 94 0 - 3.6-6.7 HD3 LYS 53 - HD2 ARG 79 far 0 94 0 - 4.2-7.3 HB3 LEU 103 - HD2 ARG 79 far 0 98 0 - 4.8-17.6 HG12 ILE 56 - HD2 ARG 79 far 0 100 0 - 5.4-9.2 HG12 ILE 56 - HD3 ARG 79 far 0 100 0 - 6.1-9.6 HG LEU 57 - HD3 ARG 79 far 0 71 0 - 7.8-11.2 HG LEU 6 - HD2 ARG 79 far 0 99 0 - 8.7-13.6 HG LEU 57 - HD2 ARG 79 far 0 71 0 - 8.8-11.9 HB2 LEU 3 - HD3 ARG 79 far 0 93 0 - 8.9-12.2 HG LEU 6 - HD3 ARG 79 far 0 99 0 - 9.0-13.5 HB2 LEU 3 - HD2 ARG 79 far 0 93 0 - 9.5-13.1 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: 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 2.5-3.0 3.0=100 HG3 ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 LEU 103 - HD3 ARG 79 far 5 98 5 - 3.2-18.2 HD3 LYS 53 - HD3 ARG 79 far 0 95 0 - 3.6-6.7 HD3 LYS 53 - HD2 ARG 79 far 0 95 0 - 4.2-7.3 HB3 LEU 103 - HD2 ARG 79 far 0 98 0 - 4.8-17.6 HG12 ILE 56 - HD2 ARG 79 far 0 100 0 - 5.4-9.2 HG12 ILE 56 - HD3 ARG 79 far 0 100 0 - 6.1-9.6 HG LEU 57 - HD3 ARG 79 far 0 70 0 - 7.8-11.2 HG LEU 6 - HD2 ARG 79 far 0 99 0 - 8.7-13.6 HG LEU 57 - HD2 ARG 79 far 0 69 0 - 8.8-11.9 HB2 LEU 3 - HD3 ARG 79 far 0 94 0 - 8.9-12.2 HG LEU 6 - HD3 ARG 79 far 0 99 0 - 9.0-13.5 HB2 LEU 3 - HD2 ARG 79 far 0 94 0 - 9.5-13.1 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 4.9-6.2 7302/3.0=100...(11) H THR 80 + HD2 ARG 79 OK 100 100 100 100 4.1-5.9 7302/3.0=100...(11) 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 2.8-3.0 3.0=100 HA3 GLY 100 - HA ILE 52 far 0 38 0 - 7.3-9.6 HA LEU 42 - HA ILE 52 far 0 53 0 - 9.8-10.3 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 2.0-2.2 3.2=100 HG LEU 55 - HA THR 80 far 0 96 0 - 5.0-5.5 QG1 VAL 83 - HA THR 80 far 0 77 0 - 6.7-7.4 QG2 VAL 83 - HA THR 80 far 0 95 0 - 6.9-7.4 QG2 VAL 5 - HA THR 80 far 0 70 0 - 7.8-8.2 QG2 VAL 5 - HA ILE 52 far 0 41 0 - 8.2-8.8 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...(17) H LYS 82 - HA THR 80 far 0 63 0 - 6.0-6.3 H ILE 8 - HA THR 80 far 0 59 0 - 8.5-8.7 H SER 59 - HA THR 80 far 0 59 0 - 9.3-9.6 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 3.0-3.6 7306=100, 7307/2.1=71...(9) H GLU 63 - HB THR 80 far 0 73 0 - 9.0-9.9 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 2.8-3.0 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 4 assignments used, quality = 1.00: * QG2 THR 80 + HB THR 80 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 83 - HB THR 80 far 0 95 0 - 7.6-8.6 QG1 VAL 83 - HB THR 80 far 0 77 0 - 7.7-8.4 HG LEU 55 - HB THR 80 far 0 96 0 - 7.7-8.3 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 3.3-4.0 7312=100, 7313/2.1=83...(15) H LYS 82 - HB THR 80 far 0 63 0 - 5.3-6.1 H SER 59 - HB THR 80 far 0 59 0 - 8.9-10.0 H ILE 8 - HB THR 80 far 0 59 0 - 9.6-10.6 Violated in 2 structures by 0.00 A. Peak 3569 from cnoeabs.peaks (8.42, 0.98, 22.13 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * H THR 80 + QG2 THR 80 OK 100 100 100 100 3.4-3.7 4.0=100 H GLU 63 - QG2 THR 80 far 0 73 0 - 6.8-7.3 H GLU 62 - QG2 THR 80 far 0 99 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 3570 from cnoeabs.peaks (5.33, 0.98, 22.13 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 80 + QG2 THR 80 OK 100 100 100 100 2.0-2.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 3571 from cnoeabs.peaks (3.68, 0.98, 22.13 ppm; 3.11 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 80 + QG2 THR 80 OK 100 100 100 100 2.1-2.1 2.1=100 HA LEU 42 - QG2 THR 80 far 0 85 0 - 9.0-9.9 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 2.3-3.2 7313=100, 7311/3.2=65...(20) H LYS 82 - QG2 THR 80 far 0 63 0 - 5.1-6.0 H SER 59 - QG2 THR 80 far 0 59 0 - 6.7-7.4 H ILE 8 - QG2 THR 80 far 0 59 0 - 7.0-7.3 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 2.3-2.7 3.0=100 QG2 VAL 83 - HA ARG 81 far 0 75 0 - 5.7-6.4 HG LEU 55 - HA ARG 81 far 0 73 0 - 6.4-7.4 QG2 VAL 5 - HA ARG 81 far 0 97 0 - 9.6-10.2 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 3.0-3.0 3.0=100 HG2 LYS 82 - HA ARG 81 far 0 100 0 - 5.9-6.3 HB3 LEU 55 - HA ARG 81 far 0 77 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 3578 from cnoeabs.peaks (0.43, 4.36, 53.27 ppm; 4.26 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 81 + HA ARG 81 OK 100 100 100 100 2.3-3.9 3.9=100 QD1 LEU 55 - HA ARG 81 far 0 99 0 - 5.0-5.5 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 12 assignments used, quality = 1.00: QD1 LEU 64 + HA ARG 81 OK 99 100 100 99 2.4-3.0 9483=69, 7318/3.0=54...(17) * HG3 ARG 81 + HA ARG 81 OK 99 100 100 99 2.9-3.8 3.9=74, 3.0/3629=50...(13) QG1 VAL 58 - HA ARG 81 far 0 93 0 - 5.7-6.3 QD1 ILE 56 - HA ARG 81 far 0 73 0 - 7.3-7.8 QG2 VAL 78 - HA ARG 81 far 0 94 0 - 7.4-8.3 QD1 ILE 8 - HA ARG 81 far 0 77 0 - 8.3-8.8 QG1 VAL 5 - HA ARG 81 far 0 98 0 - 8.5-9.0 HG13 ILE 56 - HA ARG 81 far 0 85 0 - 9.3-9.7 QG1 VAL 54 - HA ARG 81 far 0 90 0 - 9.4-10.0 QG1 VAL 78 - HA ARG 81 far 0 100 0 - 9.6-10.5 QD1 ILE 93 - HA ARG 81 far 0 77 0 - 9.9-10.9 QD2 LEU 14 - HA ARG 81 far 0 75 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 3580 from cnoeabs.peaks (1.73, 4.36, 53.27 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 81 + HA ARG 81 OK 100 100 100 100 2.3-4.2 3620=99, 1.8/3629=82...(11) HB3 LYS 82 - HA ARG 81 far 0 59 0 - 4.8-5.1 HB ILE 56 - HA ARG 81 far 0 61 0 - 6.3-6.8 Violated in 1 structures by 0.01 A. Peak 3581 from cnoeabs.peaks (2.31, 4.36, 53.27 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 81 + HA ARG 81 OK 100 100 100 100 2.1-3.9 3629=100, 1.8/3580=70...(14) HG2 GLU 95 - HA ARG 81 far 0 63 0 - 10.0-13.8 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 2.2-2.3 7324=100, 7325/3.0=36...(13) H ARG 81 + HA ARG 81 OK 63 63 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3583 from cnoeabs.peaks (8.76, 0.93, 33.91 ppm; 4.97 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 81 + HB2 ARG 81 OK 100 100 100 100 3.5-3.9 4.0=100 H LYS 82 + HB2 ARG 81 OK 63 63 100 100 2.7-4.0 4.3=100 H SER 59 - HB2 ARG 81 far 0 59 0 - 9.0-10.5 H ILE 8 - HB2 ARG 81 far 0 59 0 - 9.2-10.3 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 2 assignments used, quality = 1.00: * HA ARG 81 + HB2 ARG 81 OK 100 100 100 100 2.3-2.7 3.0=100 HA ASP 61 - HB2 ARG 81 far 0 100 0 - 9.6-11.1 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 HG2 LYS 82 - HB2 ARG 81 far 0 100 0 - 6.6-8.1 HB3 LEU 55 - HB2 ARG 81 far 0 77 0 - 7.3-8.8 HG2 ARG 91 - HB2 ARG 81 far 0 92 0 - 8.2-11.4 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 2.5-3.0 2.9=100 QD1 LEU 55 + HB2 ARG 81 OK 97 99 100 97 3.6-4.6 9280/4.0=52, 9257/3.0=47...(10) 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 14 assignments used, quality = 1.00: * HG3 ARG 81 + HB2 ARG 81 OK 100 100 100 100 2.5-3.0 2.9=100 QD1 LEU 64 + HB2 ARG 81 OK 44 100 45 98 4.3-4.8 9483/3.0=68, 7318/4.0=58...(10) QG1 VAL 58 - HB2 ARG 81 far 0 93 0 - 6.5-7.3 QG1 VAL 5 - HB2 ARG 81 far 0 98 0 - 7.5-8.2 QG2 VAL 78 - HB2 ARG 81 far 0 94 0 - 7.7-9.4 QD1 ILE 56 - HB2 ARG 81 far 0 73 0 - 7.8-8.8 QD1 ILE 93 - HB2 ARG 81 far 0 77 0 - 8.2-9.5 HG13 ILE 93 - HB2 ARG 81 far 0 100 0 - 8.4-9.3 QD1 ILE 8 - HB2 ARG 81 far 0 77 0 - 8.8-9.6 QD2 LEU 14 - HB2 ARG 81 far 0 75 0 - 8.9-10.1 QG1 VAL 54 - HB2 ARG 81 far 0 90 0 - 9.0-10.1 HG13 ILE 56 - HB2 ARG 81 far 0 85 0 - 9.4-10.3 QG1 VAL 78 - HB2 ARG 81 far 0 100 0 - 9.5-11.3 QG2 ILE 93 - HB2 ARG 81 far 0 99 0 - 9.7-10.3 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 2.2-3.5 3.4=100 HB3 LYS 82 + HB2 ARG 81 OK 36 59 65 94 5.3-6.7 4.0/7325=75, ~9743=51...(4) HB ILE 56 - HB2 ARG 81 far 0 61 0 - 6.8-7.7 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 2.1-3.5 3.4=100 HG2 GLU 95 - HB2 ARG 81 far 0 63 0 - 8.0-11.6 Violated in 0 structures by 0.00 A. Peak 3591 from cnoeabs.peaks (8.72, 0.93, 33.91 ppm; 5.22 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 82 + HB2 ARG 81 OK 100 100 100 100 2.7-4.0 4.3=100 H ARG 81 + HB2 ARG 81 OK 63 63 100 100 3.5-3.9 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 2.6-2.8 4.0=100 H LYS 82 + HB3 ARG 81 OK 63 63 100 100 3.9-4.3 4.3=100 H ILE 8 - HB3 ARG 81 far 0 59 0 - 8.4-8.8 H SER 59 - HB3 ARG 81 far 0 59 0 - 8.9-9.6 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 1 assignment used, quality = 1.00: * HA ARG 81 + HB3 ARG 81 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3594 from cnoeabs.peaks (0.93, 1.06, 33.91 ppm; 3.68 A): 1 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 far 0 73 0 - 4.0-4.8 QG2 VAL 83 - HB3 ARG 81 far 0 75 0 - 4.3-5.1 QG2 VAL 5 - HB3 ARG 81 far 0 97 0 - 7.4-8.0 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 2.3-2.7 2.9=100 QD1 LEU 55 + HB3 ARG 81 OK 97 99 100 98 2.8-3.5 9280/7316=50...(11) 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 16 assignments used, quality = 1.00: * HG3 ARG 81 + HB3 ARG 81 OK 100 100 100 100 2.2-2.7 2.9=100 QD1 LEU 64 + HB3 ARG 81 OK 99 100 100 99 4.4-4.9 9483/3.0=75...(11) QG1 VAL 58 - HB3 ARG 81 far 0 93 0 - 5.9-6.3 QG1 VAL 5 - HB3 ARG 81 far 0 98 0 - 6.2-6.8 QD1 ILE 56 - HB3 ARG 81 far 0 73 0 - 7.1-7.7 QG2 VAL 78 - HB3 ARG 81 far 0 94 0 - 7.4-8.3 QD1 ILE 93 - HB3 ARG 81 far 0 77 0 - 7.4-8.4 HG13 ILE 93 - HB3 ARG 81 far 0 100 0 - 7.4-8.1 QD1 ILE 8 - HB3 ARG 81 far 0 77 0 - 8.1-8.5 QG1 VAL 54 - HB3 ARG 81 far 0 90 0 - 8.1-8.6 HG13 ILE 56 - HB3 ARG 81 far 0 85 0 - 8.2-8.8 QD2 LEU 14 - HB3 ARG 81 far 0 75 0 - 8.4-9.2 QG2 ILE 93 - HB3 ARG 81 far 0 99 0 - 8.8-9.4 QG1 VAL 78 - HB3 ARG 81 far 0 100 0 - 9.1-10.1 QD1 LEU 6 - HB3 ARG 81 far 0 75 0 - 9.3-9.9 QD1 LEU 27 - HB3 ARG 81 far 0 79 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 3598 from cnoeabs.peaks (1.73, 1.06, 33.91 ppm; 5.95 A): 2 out of 3 assignments used, quality = 1.00: * HD2 ARG 81 + HB3 ARG 81 OK 100 100 100 100 3.4-4.1 3.4=100 HB ILE 56 + HB3 ARG 81 OK 44 61 80 89 5.8-6.4 7319/7316=87...(3) HB3 LYS 82 - HB3 ARG 81 far 0 59 0 - 6.3-6.8 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 3.4-4.2 3.4=100 HG2 GLU 95 - HB3 ARG 81 far 0 63 0 - 7.6-11.6 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 3.9-4.3 4.3=100 H ARG 81 + HB3 ARG 81 OK 63 63 100 100 2.6-2.8 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 4 assignments used, quality = 1.00: * H ARG 81 + HG2 ARG 81 OK 100 100 100 100 2.8-5.0 4.9=100 H LYS 82 + HG2 ARG 81 OK 63 63 100 100 4.0-5.0 4.8=100 H ILE 8 - HG2 ARG 81 far 0 59 0 - 9.4-11.1 H SER 59 - HG2 ARG 81 far 0 59 0 - 9.8-11.3 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 1 assignment used, quality = 1.00: * HA ARG 81 + HG2 ARG 81 OK 100 100 100 100 2.3-3.9 3.9=100 Violated in 0 structures by 0.00 A. Peak 3603 from cnoeabs.peaks (0.93, 0.43, 25.88 ppm; 3.99 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ARG 81 + HG2 ARG 81 OK 100 100 100 100 2.5-3.0 2.9=100 HG LEU 55 - HG2 ARG 81 far 4 73 5 - 4.2-6.7 QG2 VAL 83 - HG2 ARG 81 far 0 75 0 - 4.4-7.1 QG2 VAL 5 - HG2 ARG 81 far 0 97 0 - 7.5-9.4 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 2.3-2.7 2.9=100 HB3 LEU 55 - HG2 ARG 81 far 0 77 0 - 6.2-8.8 HG2 ARG 91 - HG2 ARG 81 far 0 92 0 - 7.4-12.0 HG2 LYS 82 - HG2 ARG 81 far 0 100 0 - 7.7-8.9 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 16 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 - 4.2-6.0 QG2 VAL 78 - HG2 ARG 81 far 0 94 0 - 6.6-9.6 QG1 VAL 58 - HG2 ARG 81 far 0 93 0 - 6.8-7.7 QD1 ILE 56 - HG2 ARG 81 far 0 73 0 - 6.8-9.3 QG1 VAL 5 - HG2 ARG 81 far 0 98 0 - 7.1-8.5 QD1 ILE 93 - HG2 ARG 81 far 0 77 0 - 7.4-10.2 HG13 ILE 93 - HG2 ARG 81 far 0 100 0 - 7.5-10.1 QG1 VAL 54 - HG2 ARG 81 far 0 90 0 - 7.8-10.4 QG1 VAL 78 - HG2 ARG 81 far 0 100 0 - 8.3-11.3 HG13 ILE 56 - HG2 ARG 81 far 0 85 0 - 8.3-10.8 QD2 LEU 14 - HG2 ARG 81 far 0 75 0 - 8.6-11.3 QD1 ILE 8 - HG2 ARG 81 far 0 77 0 - 8.8-10.0 QG2 ILE 93 - HG2 ARG 81 far 0 99 0 - 9.0-10.7 QD1 LEU 6 - HG2 ARG 81 far 0 75 0 - 9.4-11.4 QD2 LEU 42 - HG2 ARG 81 far 0 82 0 - 10.0-12.8 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 - 5.7-8.4 HB3 LYS 82 - HG2 ARG 81 far 0 59 0 - 6.1-7.7 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 - 7.5-12.1 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 4.0-5.0 4.8=100 H ARG 81 + HG2 ARG 81 OK 63 63 100 100 2.8-5.0 4.9=100 Violated in 0 structures by 0.00 A. Peak 3610 from cnoeabs.peaks (8.76, 0.74, 25.88 ppm; 4.84 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 81 + HG3 ARG 81 OK 100 100 100 100 4.1-4.7 4.9=97, 7316/2.9=84...(14) H LYS 82 + HG3 ARG 81 OK 41 63 65 100 2.5-5.5 4.8=100 H SER 59 - HG3 ARG 81 far 0 59 0 - 8.1-11.7 H ILE 8 - HG3 ARG 81 far 0 59 0 - 8.3-11.1 Violated in 0 structures by 0.00 A. Peak 3611 from cnoeabs.peaks (4.36, 0.74, 25.88 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 81 + HG3 ARG 81 OK 100 100 100 100 2.9-3.8 3.9=100 HA ASP 61 - HG3 ARG 81 far 0 100 0 - 9.2-12.3 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 2.5-3.0 2.9=100 QG2 VAL 83 - HG3 ARG 81 poor 6 75 30 28 3.3-6.7 10296/10001=13...(3) HG LEU 55 - HG3 ARG 81 far 0 73 0 - 4.3-7.2 QG2 VAL 5 - HG3 ARG 81 far 0 97 0 - 7.4-9.7 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 2.2-2.7 2.9=100 HG2 LYS 82 - HG3 ARG 81 far 0 100 0 - 6.0-9.4 HB3 LEU 55 - HG3 ARG 81 far 0 77 0 - 6.2-9.3 HG2 ARG 91 - HG3 ARG 81 far 0 92 0 - 7.9-11.0 Violated in 0 structures by 0.00 A. Peak 3614 from cnoeabs.peaks (0.43, 0.74, 25.88 ppm; 3.06 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 81 + HG3 ARG 81 OK 100 100 100 100 1.8-1.8 1.8=100 QD1 LEU 55 + HG3 ARG 81 OK 33 99 45 73 2.7-5.3 9280/4.9=17, 2540/2.9=17...(12) Violated in 0 structures by 0.00 A. Peak 3615 from cnoeabs.peaks (0.74, 0.74, 25.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 81 + HG3 ARG 81 OK 100 100 - 100 Peak 3616 from cnoeabs.peaks (1.73, 0.74, 25.88 ppm; 4.37 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 81 + HG3 ARG 81 OK 100 100 100 100 2.3-2.9 3.0=100 HB3 LYS 82 - HG3 ARG 81 far 6 59 10 - 4.4-7.9 HB ILE 56 - HG3 ARG 81 far 0 61 0 - 7.1-8.1 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 - 6.4-12.0 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 2.5-5.5 4.8=100 H ARG 81 + HG3 ARG 81 OK 63 63 100 100 4.1-4.7 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 = 0.83: H LYS 82 + HD2 ARG 81 OK 62 63 100 98 1.9-5.3 3.6/3580=79, 3628/1.8=51...(6) * H ARG 81 + HD2 ARG 81 OK 55 100 55 100 4.7-6.3 3.0/3580=87, 7316/3.4=85...(10) H SER 59 - HD2 ARG 81 far 0 59 0 - 9.3-12.5 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 2 assignments used, quality = 1.00: * HA ARG 81 + HD2 ARG 81 OK 100 100 100 100 2.3-4.2 3580=100, 3629/1.8=82...(11) HA ASP 61 - HD2 ARG 81 far 0 100 0 - 8.8-11.9 Violated in 1 structures by 0.01 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 2.2-3.5 3.4=100 QG2 VAL 83 - HD2 ARG 81 far 0 75 0 - 5.2-7.5 HG LEU 55 - HD2 ARG 81 far 0 73 0 - 6.7-8.5 QG2 VAL 5 - HD2 ARG 81 far 0 97 0 - 9.5-10.7 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 3.4-4.1 3.4=100 HG2 LYS 82 - HD2 ARG 81 far 0 100 0 - 6.1-9.7 HG2 ARG 91 - HD2 ARG 81 far 0 92 0 - 8.3-11.6 HB3 LEU 55 - HD2 ARG 81 far 0 77 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 3623 from cnoeabs.peaks (0.43, 1.73, 42.21 ppm; 3.76 A): 1 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 far 0 99 0 - 4.8-6.0 Violated in 0 structures by 0.00 A. Peak 3624 from cnoeabs.peaks (0.74, 1.73, 42.21 ppm; 3.89 A): 1 out of 10 assignments used, quality = 1.00: * HG3 ARG 81 + HD2 ARG 81 OK 100 100 100 100 2.3-2.9 3.0=100 QD1 LEU 64 - HD2 ARG 81 far 5 100 5 - 4.2-6.1 QG1 VAL 58 - HD2 ARG 81 far 0 93 0 - 7.1-9.1 QG2 VAL 78 - HD2 ARG 81 far 0 94 0 - 8.8-10.6 QG1 VAL 5 - HD2 ARG 81 far 0 98 0 - 8.8-9.9 QD1 ILE 56 - HD2 ARG 81 far 0 73 0 - 9.1-10.7 HG13 ILE 93 - HD2 ARG 81 far 0 100 0 - 9.1-10.9 QD1 ILE 93 - HD2 ARG 81 far 0 77 0 - 9.2-10.9 QD2 LEU 14 - HD2 ARG 81 far 0 75 0 - 9.6-11.9 QD1 ILE 8 - HD2 ARG 81 far 0 77 0 - 9.7-11.5 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 - 7.6-12.6 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 1.9-5.3 7330/1.8=97...(6) H ARG 81 + HD2 ARG 81 OK 38 63 60 100 4.7-6.3 3.0/3580=92, ~3629=73...(10) 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 = 0.79: H LYS 82 + HD3 ARG 81 OK 62 63 100 98 2.5-4.6 3.6/3629=76, 7330=53...(9) * H ARG 81 + HD3 ARG 81 OK 45 100 45 100 4.2-6.0 3.0/3629=84, 7316/3.4=79...(13) 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 2 assignments used, quality = 1.00: * HA ARG 81 + HD3 ARG 81 OK 100 100 100 100 2.1-3.9 3581=94, 3580/1.8=68...(14) HA ASP 61 - HD3 ARG 81 far 0 100 0 - 9.4-11.3 Violated in 1 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 2.1-3.5 3.4=100 QG2 VAL 83 - HD3 ARG 81 far 0 75 0 - 5.8-7.9 HG LEU 55 - HD3 ARG 81 far 0 73 0 - 6.5-8.2 QG2 VAL 5 - HD3 ARG 81 far 0 97 0 - 9.5-10.6 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 3.4-4.2 3.4=100 HG2 LYS 82 - HD3 ARG 81 far 0 100 0 - 7.0-9.1 HG2 ARG 91 - HD3 ARG 81 far 0 92 0 - 8.1-12.6 HB3 LEU 55 - HD3 ARG 81 far 0 77 0 - 8.3-10.1 Violated in 0 structures by 0.00 A. Peak 3632 from cnoeabs.peaks (0.43, 2.31, 42.21 ppm; 3.83 A): 1 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 far 0 99 0 - 4.5-5.7 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 11 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 21 100 25 86 3.9-5.8 9483/3581=45...(7) QG1 VAL 58 - HD3 ARG 81 far 0 93 0 - 7.5-8.9 QG2 VAL 78 - HD3 ARG 81 far 0 94 0 - 7.5-9.9 QD1 ILE 56 - HD3 ARG 81 far 0 73 0 - 8.0-10.1 QG1 VAL 5 - HD3 ARG 81 far 0 98 0 - 8.9-9.9 QD1 ILE 93 - HD3 ARG 81 far 0 77 0 - 9.3-11.5 QG1 VAL 54 - HD3 ARG 81 far 0 90 0 - 9.5-11.3 QG1 VAL 78 - HD3 ARG 81 far 0 100 0 - 9.5-11.8 HG13 ILE 93 - HD3 ARG 81 far 0 100 0 - 9.7-11.6 QD1 ILE 8 - HD3 ARG 81 far 0 77 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 3634 from cnoeabs.peaks (1.73, 2.31, 42.21 ppm; 2.95 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 81 + HD3 ARG 81 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 82 - HD3 ARG 81 far 0 59 0 - 4.9-7.0 HB ILE 56 - HD3 ARG 81 far 0 61 0 - 7.3-9.3 Violated in 0 structures by 0.00 A. Peak 3635 from cnoeabs.peaks (2.31, 2.31, 42.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 81 + HD3 ARG 81 OK 100 100 - 100 Peak 3636 from cnoeabs.peaks (8.72, 2.31, 42.21 ppm; 4.90 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 82 + HD3 ARG 81 OK 100 100 100 100 2.5-4.6 7330=100, 7324/3629=86...(8) H ARG 81 + HD3 ARG 81 OK 29 63 45 100 4.2-6.0 3.0/3629=85, ~3580=57...(13) 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 4.6-4.8 10712/9372=52, ~7324=51...(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 5 assignments used, quality = 1.00: * HB2 LYS 82 + HA LYS 82 OK 100 100 100 100 2.5-2.7 3.0=100 QB ALA 67 - HA LYS 82 far 0 100 0 - 6.5-6.8 QB ALA 89 - HA LYS 82 far 0 100 0 - 7.3-7.7 HG12 ILE 8 - HA LYS 82 far 0 92 0 - 8.4-9.3 HG LEU 14 - HA LYS 82 far 0 100 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 3640 from cnoeabs.peaks (1.76, 4.70, 54.96 ppm; 3.84 A): 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 0 59 0 - 4.4-7.7 HB3 GLU 63 - HA LYS 82 far 0 97 0 - 6.0-6.4 HB ILE 56 - HA LYS 82 far 0 100 0 - 7.4-7.8 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 2.5-2.7 7332=100, 7333/1.8=91...(16) H ARG 81 - HB2 LYS 82 far 0 63 0 - 5.5-5.9 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 2.5-2.7 3.0=100 HA LEU 55 - HB3 ARG 30 far 0 40 0 - 9.6-10.0 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 - 4.4-7.7 HB2 GLU 28 - HB3 ARG 30 far 0 50 0 - 5.5-5.9 HB3 GLU 63 - HB2 LYS 82 far 0 97 0 - 6.4-7.1 HG3 ARG 19 - HB3 ARG 30 far 0 62 0 - 7.8-9.4 HB ILE 56 - HB2 LYS 82 far 0 100 0 - 8.4-8.9 HB VAL 78 - HB3 ARG 30 far 0 55 0 - 9.9-10.4 HB ILE 56 - HB3 ARG 30 far 0 62 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 3652 from cnoeabs.peaks (1.06, 1.34, 32.60 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 82 + HB2 LYS 82 OK 100 100 100 100 2.4-2.6 2.9=100 HB3 ARG 81 - HB2 LYS 82 far 0 100 0 - 6.1-6.5 HB3 LEU 55 - HB3 ARG 30 far 0 35 0 - 8.4-10.2 HG12 ILE 52 - HB3 ARG 30 far 0 51 0 - 9.6-10.1 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 3.0-3.0 2.9=100 QG2 THR 31 - HB3 ARG 30 far 0 62 0 - 5.5-5.8 HB2 LEU 29 - HB3 ARG 30 far 0 50 0 - 6.2-6.4 HG2 LYS 40 - HB3 ARG 30 far 0 52 0 - 8.1-10.1 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 11 assignments used, quality = 1.00: * HD2 LYS 82 + HB2 LYS 82 OK 100 100 100 100 2.3-2.5 3.5=100 HB3 LEU 64 + HB2 LYS 82 OK 75 75 100 99 3.0-3.6 3.1/10252=58...(17) HG LEU 29 - HB3 ARG 30 far 0 48 0 - 4.7-5.0 HG LEU 64 - HB2 LYS 82 far 0 91 0 - 4.9-5.4 QB ALA 22 - HB3 ARG 30 far 0 48 0 - 7.0-7.3 HD3 LYS 40 - HB3 ARG 30 far 0 61 0 - 8.1-9.8 HB2 LEU 27 - HB3 ARG 30 far 0 62 0 - 8.8-9.9 HB2 LEU 38 - HB3 ARG 30 far 0 62 0 - 9.2-10.0 HG LEU 38 - HB3 ARG 30 far 0 62 0 - 9.2-9.7 HG12 ILE 7 - HB3 ARG 30 far 0 35 0 - 9.3-9.6 HD2 LYS 40 - HB3 ARG 30 far 0 61 0 - 9.4-10.9 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 9 assignments used, quality = 1.00: * HD3 LYS 82 + HB2 LYS 82 OK 100 100 100 100 3.6-3.7 3.5=98, 3.0/3657=39...(21) 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 - 6.0-6.3 HB3 GLU 28 - HB3 ARG 30 far 0 62 0 - 7.0-7.6 HG2 ARG 19 - HB3 ARG 30 far 0 53 0 - 7.4-10.2 HG12 ILE 56 - HB3 ARG 30 far 0 35 0 - 8.3-9.0 HG3 ARG 79 - HB2 LYS 82 far 0 75 0 - 9.8-11.7 HG2 LYS 33 - HB3 ARG 30 far 0 54 0 - 9.9-10.2 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 3.0-4.1 4.8=100 HB3 ASP 61 - HB2 LYS 82 far 0 100 0 - 6.0-7.8 HE3 LYS 40 - HB3 ARG 30 far 0 40 0 - 6.9-12.1 HB2 ASP 65 - HB2 LYS 82 far 0 87 0 - 7.9-8.6 HE2 LYS 40 - HB3 ARG 30 far 0 41 0 - 8.4-11.9 Violated in 0 structures by 0.00 A. Peak 3657 from cnoeabs.peaks (2.85, 1.34, 32.60 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 82 + HB2 LYS 82 OK 100 100 100 100 2.7-3.8 3668/1.8=88, 4.8=82...(14) HB2 ASN 60 - HB2 LYS 82 far 0 63 0 - 7.4-7.7 Violated in 0 structures by 0.00 A. Peak 3658 from cnoeabs.peaks (9.11, 1.34, 32.60 ppm; 4.38 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 83 + HB2 LYS 82 OK 100 100 100 100 4.2-4.5 7343/3.0=86, 4.6=85...(14) H ARG 30 + HB3 ARG 30 OK 54 54 100 100 2.5-2.7 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 2.6-2.9 7333=100, 7332/1.8=84...(13) H ARG 81 - HB3 LYS 82 far 0 63 0 - 6.5-6.8 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 3 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 - 8.2-8.7 QB ALA 89 - HB3 LYS 82 far 0 100 0 - 8.9-9.4 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 3.0-3.0 2.9=100 HB3 ARG 81 - HB3 LYS 82 far 0 100 0 - 6.3-6.8 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 2.3-2.5 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): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 82 + HB3 LYS 82 OK 100 100 100 100 2.9-3.3 3.5=100 HB3 LEU 64 - HB3 LYS 82 far 0 75 0 - 4.8-5.3 HG LEU 64 - HB3 LYS 82 far 0 91 0 - 6.6-7.1 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 1 assignment used, quality = 1.00: * HD3 LYS 82 + HB3 LYS 82 OK 100 100 100 100 3.7-3.9 3.5=100 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...(19) HB3 ASP 61 - HB3 LYS 82 far 0 100 0 - 6.6-8.6 HB2 ASP 65 - HB3 LYS 82 far 0 87 0 - 9.5-10.1 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 2.0-2.6 1.8/3717=75, 3657/1.8=65...(16) HB2 ASN 60 - HB3 LYS 82 far 0 63 0 - 8.3-8.6 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 3.7-4.2 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 4.4-4.5 5.1=100 H ARG 81 - HG2 LYS 82 far 0 63 0 - 6.4-7.0 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 2.3-2.6 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 4 assignments used, quality = 1.00: * HB2 LYS 82 + HG2 LYS 82 OK 100 100 100 100 2.4-2.6 2.9=100 QB ALA 67 - HG2 LYS 82 far 0 100 0 - 6.8-7.3 QB ALA 89 - HG2 LYS 82 far 0 100 0 - 8.7-9.3 HG12 ILE 8 - HG2 LYS 82 far 0 92 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 3673 from cnoeabs.peaks (1.76, 1.06, 25.00 ppm; 3.92 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 82 + HG2 LYS 82 OK 100 100 100 100 3.0-3.0 2.9=100 HB3 GLU 63 - HG2 LYS 82 far 0 97 0 - 4.8-5.3 HD2 ARG 81 - HG2 LYS 82 far 0 59 0 - 6.1-9.7 HB ILE 56 - HG2 LYS 82 far 0 100 0 - 8.8-9.4 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 4 assignments used, quality = 1.00: * HD2 LYS 82 + HG2 LYS 82 OK 100 100 100 100 2.4-2.5 2.9=100 HB3 LEU 64 + HG2 LYS 82 OK 75 75 100 100 3.2-3.8 3.1/9761=58...(21) HG LEU 64 - HG2 LYS 82 far 0 91 0 - 5.9-6.5 HG12 ILE 7 - HG2 LYS 82 far 0 68 0 - 9.5-10.0 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 1 assignment used, quality = 1.00: * HD3 LYS 82 + HG2 LYS 82 OK 100 100 100 100 2.4-2.4 2.9=100 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 3.7-4.2 3.9=100 HB3 ASP 61 - HG2 LYS 82 far 0 100 0 - 5.6-7.2 HB2 ASP 65 - HG2 LYS 82 far 0 87 0 - 8.1-9.0 Violated in 0 structures by 0.00 A. Peak 3679 from cnoeabs.peaks (2.85, 1.06, 25.00 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 82 + HG2 LYS 82 OK 100 100 100 100 3.5-3.7 3.9=100 HB2 ASN 60 - HG2 LYS 82 far 0 63 0 - 5.4-5.8 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 3.2-3.8 7346=100, 7347/1.8=88...(15) 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 4.5-4.6 5.1=100 H ARG 81 - HG3 LYS 82 far 0 63 0 - 7.4-7.8 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 2.8-3.2 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 6 assignments used, quality = 1.00: * HB2 LYS 82 + HG3 LYS 82 OK 100 100 100 100 3.0-3.0 2.9=100 HG3 LYS 40 + HG2 LYS 40 OK 43 43 100 100 1.8-1.8 1.8=100 HG2 LYS 39 - HG2 LYS 40 far 0 49 0 - 7.3-8.9 HB3 ARG 30 - HG2 LYS 40 far 0 34 0 - 8.1-10.1 QB ALA 67 - HG3 LYS 82 far 0 100 0 - 8.1-8.6 QB ALA 89 - HG3 LYS 82 far 0 100 0 - 8.5-9.0 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 2.3-2.5 2.9=100 HD2 ARG 81 - HG3 LYS 82 far 0 59 0 - 5.9-9.5 HB3 GLU 63 - HG3 LYS 82 far 0 97 0 - 6.3-6.9 HB2 LYS 39 - HG2 LYS 40 far 0 28 0 - 6.6-8.0 HG3 ARG 46 - HG2 LYS 40 far 0 38 0 - 9.4-12.9 HB ILE 56 - HG3 LYS 82 far 0 100 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 3685 from cnoeabs.peaks (1.06, 1.14, 25.00 ppm; 2.85 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 82 + HG3 LYS 82 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 81 - HG3 LYS 82 far 0 100 0 - 7.5-8.1 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 9 assignments used, quality = 1.00: * HD2 LYS 82 + HG3 LYS 82 OK 100 100 100 100 3.0-3.0 2.9=100 HD2 LYS 40 + HG2 LYS 40 OK 49 49 100 100 2.4-3.0 3.0=100 HD3 LYS 40 + HG2 LYS 40 OK 48 48 100 100 2.5-3.0 3.0=100 HB3 LEU 64 - HG3 LYS 82 far 0 75 0 - 5.0-5.4 HG3 LYS 39 - HG2 LYS 40 far 0 42 0 - 6.3-9.0 HG LEU 64 - HG3 LYS 82 far 0 91 0 - 7.5-7.9 HB2 LEU 38 - HG2 LYS 40 far 0 49 0 - 8.4-9.4 HG2 LYS 47 - HG2 LYS 40 far 0 30 0 - 9.3-10.2 HG12 ILE 7 - HG3 LYS 82 far 0 68 0 - 9.6-10.5 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 3 assignments used, quality = 1.00: * HD3 LYS 82 + HG3 LYS 82 OK 100 100 100 100 2.4-2.5 2.9=100 HG3 ARG 30 - HG2 LYS 40 far 0 26 0 - 6.9-10.4 HB2 ARG 30 - HG2 LYS 40 far 0 25 0 - 7.4-9.3 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 2.5-3.7 3.9=100 HE2 LYS 40 + HG2 LYS 40 OK 32 32 100 100 2.1-3.7 4.0=100 HE3 LYS 40 + HG2 LYS 40 OK 31 31 100 100 2.1-3.6 4.0=100 HB3 ASP 61 - HG3 LYS 82 far 0 100 0 - 6.2-7.8 HB2 ASP 65 - HG3 LYS 82 far 0 87 0 - 9.7-10.2 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 2.3-3.1 3.9=100 HB2 ASN 60 - HG3 LYS 82 far 0 63 0 - 6.3-7.0 HE3 LYS 39 - HG2 LYS 40 far 0 39 0 - 7.6-10.1 HE2 LYS 39 - HG2 LYS 40 far 0 43 0 - 8.9-10.9 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 2.6-3.8 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 4.9-5.1 5.8=100 H ARG 81 - HD2 LYS 82 far 0 63 0 - 7.2-8.2 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 4.0-4.4 5.1=96, 3704/1.8=83...(28) 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 11 assignments used, quality = 1.00: * HB2 LYS 82 + HD2 LYS 82 OK 98 100 100 98 2.3-2.5 3.5=59, 3655/1.8=31...(21) HG3 LYS 40 + HD2 LYS 40 OK 95 95 100 100 2.5-3.0 3.0=100 HG3 LYS 40 + HD3 LYS 40 OK 94 94 100 100 2.3-2.5 3.0=100 HG2 LYS 94 - HB2 ARG 91 far 0 34 0 - 4.3-6.5 QB ALA 89 - HB2 ARG 91 far 0 34 0 - 6.5-6.9 QB ALA 67 - HD2 LYS 82 far 0 100 0 - 6.9-8.3 HB3 ARG 30 - HD3 LYS 40 far 0 79 0 - 8.1-9.8 HG2 LYS 39 - HD2 LYS 40 far 0 100 0 - 8.5-9.5 HG2 LYS 39 - HD3 LYS 40 far 0 99 0 - 8.8-10.4 QB ALA 25 - HB2 ARG 91 far 0 34 0 - 9.4-10.0 HB3 ARG 30 - HD2 LYS 40 far 0 79 0 - 9.4-10.9 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 7 assignments used, quality = 1.00: * HB3 LYS 82 + HD2 LYS 82 OK 100 100 100 100 2.9-3.3 3.5=100 HD2 LYS 90 - HB2 ARG 91 far 0 25 0 - 5.4-5.9 HB3 GLU 63 - HD2 LYS 82 far 0 97 0 - 5.5-6.7 HB2 LYS 39 - HD2 LYS 40 far 0 68 0 - 6.6-8.4 HD2 ARG 81 - HD2 LYS 82 far 0 59 0 - 6.7-10.0 HB2 LYS 39 - HD3 LYS 40 far 0 68 0 - 7.1-9.4 HB ILE 56 - HD2 LYS 82 far 0 100 0 - 9.6-10.8 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 3 assignments used, quality = 1.00: * HG2 LYS 82 + HD2 LYS 82 OK 100 100 100 100 2.4-2.5 2.9=100 HG2 ARG 91 + HB2 ARG 91 OK 30 30 100 100 2.2-3.0 2.8=100 HB3 ARG 81 - HD2 LYS 82 far 0 100 0 - 8.3-9.0 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 3.0-3.0 2.9=100 HG2 LYS 40 + HD2 LYS 40 OK 91 91 100 100 2.4-3.0 3.0=100 HG2 LYS 40 + HD3 LYS 40 OK 90 90 100 100 2.5-3.0 3.0=100 QG2 THR 34 - HD2 LYS 40 far 0 62 0 - 7.1-9.0 QG2 THR 34 - HD3 LYS 40 far 0 62 0 - 7.7-9.5 QG2 THR 31 - HD3 LYS 40 far 0 99 0 - 9.1-11.0 QG2 THR 31 - HD2 LYS 40 far 0 100 0 - 10.0-11.8 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 ARG 30 - HD3 LYS 40 far 0 64 0 - 6.7-9.9 HB2 ARG 30 - HD3 LYS 40 far 0 62 0 - 6.8-8.6 HG3 LYS 90 - HB2 ARG 91 far 0 29 0 - 7.0-7.2 HG2 LYS 33 - HD3 LYS 40 far 0 92 0 - 7.4-9.7 HG2 LYS 33 - HD2 LYS 40 far 0 93 0 - 7.9-10.1 HG3 ARG 30 - HD2 LYS 40 far 0 64 0 - 8.1-11.2 HB2 ARG 30 - HD2 LYS 40 far 0 62 0 - 8.1-9.8 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 2.2-3.0 3.0=100 HE2 LYS 40 + HD2 LYS 40 OK 76 76 100 100 2.4-3.0 3.0=100 HE2 LYS 40 + HD3 LYS 40 OK 75 75 100 100 2.3-3.0 3.0=100 HE3 LYS 40 + HD2 LYS 40 OK 74 74 100 100 2.3-3.0 3.0=100 HE3 LYS 40 + HD3 LYS 40 OK 73 73 100 100 2.4-3.0 3.0=100 HB3 ASP 61 - HD2 LYS 82 far 10 100 10 - 3.7-5.5 HB2 ASP 65 - HD2 LYS 82 far 0 87 0 - 7.0-7.8 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 5 assignments used, quality = 1.00: * HE3 LYS 82 + HD2 LYS 82 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ASN 60 - HD2 LYS 82 far 0 63 0 - 5.7-6.4 HE3 LYS 39 - HD2 LYS 40 far 0 88 0 - 8.3-10.1 HE3 LYS 39 - HD3 LYS 40 far 0 88 0 - 8.8-11.3 HE2 LYS 39 - HD2 LYS 40 far 0 95 0 - 9.1-11.1 Violated in 0 structures by 0.00 A. Peak 3702 from cnoeabs.peaks (9.11, 1.46, 28.90 ppm; 6.01 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 83 + HD2 LYS 82 OK 100 100 100 100 5.3-5.9 7346/2.9=99, 7347/2.9=99...(11) Violated in 0 structures by 0.00 A. Peak 3703 from cnoeabs.peaks (8.72, 1.57, 28.90 ppm; 6.13 A increased from 5.77 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 82 + HD3 LYS 82 OK 100 100 100 100 6.0-6.1 5.8=100 H ARG 81 - HD3 LYS 82 far 0 63 0 - 8.5-9.2 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 4.6-4.8 5.1=90, 3693/1.8=77...(30) Violated in 0 structures by 0.00 A. Peak 3705 from cnoeabs.peaks (1.34, 1.57, 28.90 ppm; 3.88 A increased from 3.65 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 82 + HD3 LYS 82 OK 100 100 100 100 3.6-3.7 3.5=100 QB ALA 67 - HD3 LYS 82 far 0 100 0 - 8.0-8.9 Violated in 0 structures by 0.00 A. Peak 3706 from cnoeabs.peaks (1.76, 1.57, 28.90 ppm; 4.99 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 82 + HD3 LYS 82 OK 100 100 100 100 3.7-3.9 3.5=100 HB3 GLU 63 - HD3 LYS 82 far 0 97 0 - 5.6-6.5 HD2 ARG 81 - HD3 LYS 82 far 0 59 0 - 7.7-11.1 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 2.4-2.4 2.9=100 HB3 ARG 81 - HD3 LYS 82 far 0 100 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 3708 from cnoeabs.peaks (1.14, 1.57, 28.90 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 82 + HD3 LYS 82 OK 100 100 100 100 2.4-2.5 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 3 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 0 75 0 - 4.4-5.4 HG LEU 64 - HD3 LYS 82 far 0 91 0 - 6.8-7.7 Violated in 0 structures by 0.00 A. Peak 3710 from cnoeabs.peaks (1.57, 1.57, 28.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 82 + HD3 LYS 82 OK 100 100 - 100 Peak 3711 from cnoeabs.peaks (2.74, 1.57, 28.90 ppm; 3.87 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 82 + HD3 LYS 82 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ASP 61 + HD3 LYS 82 OK 32 100 35 92 3.8-5.5 3.0/9767=38, 4.0/9443=32...(10) HB2 ASP 65 - HD3 LYS 82 far 0 87 0 - 7.9-8.9 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 2.6-3.0 3.0=100 HB2 ASN 60 - HD3 LYS 82 far 0 63 0 - 5.1-5.7 Violated in 0 structures by 0.00 A. Peak 3713 from cnoeabs.peaks (9.11, 1.57, 28.90 ppm; 5.71 A increased from 5.38 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 83 + HD3 LYS 82 OK 100 100 100 100 5.0-5.7 7349=100, 7346/2.9=98...(10) Violated in 1 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 4.7-6.2 7333/3717=96...(13) H ARG 81 - HE2 LYS 82 far 0 63 0 - 8.4-9.7 Violated in 2 structures by 0.01 A. Peak 3715 from cnoeabs.peaks (4.70, 2.74, 41.51 ppm; 5.43 A): 1 out of 1 assignment used, quality = 0.90: * HA LYS 82 + HE2 LYS 82 OK 90 100 90 100 5.0-5.8 3.0/3717=89, 3726/1.8=89...(22) Violated in 4 structures by 0.05 A. Peak 3716 from cnoeabs.peaks (1.34, 2.74, 41.51 ppm; 4.25 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 82 + HE2 LYS 82 OK 100 100 100 100 3.0-4.1 1.8/3717=81, 3657/1.8=71...(18) HG3 LYS 40 + HE2 LYS 40 OK 34 34 100 100 2.3-4.1 4.0=100 HG2 LYS 39 - HE2 LYS 40 far 0 38 0 - 8.2-11.6 HB3 ARG 30 - HE2 LYS 40 far 0 26 0 - 8.4-11.9 QB ALA 67 - HE2 LYS 82 far 0 100 0 - 9.1-10.0 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 4 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...(19) HD2 ARG 81 - HE2 LYS 82 far 0 59 0 - 5.9-10.0 HB2 LYS 39 - HE2 LYS 40 far 0 21 0 - 6.6-10.3 HB3 GLU 63 - HE2 LYS 82 far 0 97 0 - 7.8-8.8 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 3.7-4.2 3.9=100 HB3 ARG 81 - HE2 LYS 82 far 0 100 0 - 8.6-10.4 Violated in 3 structures by 0.02 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 2.5-3.7 3.9=100 HG2 LYS 40 + HE2 LYS 40 OK 31 31 100 100 2.1-3.7 4.0=100 QG2 THR 31 - HE2 LYS 40 far 0 38 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 3720 from cnoeabs.peaks (1.46, 2.74, 41.51 ppm; 3.78 A): 3 out of 7 assignments used, quality = 1.00: * HD2 LYS 82 + HE2 LYS 82 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 40 + HE2 LYS 40 OK 38 38 100 100 2.4-3.0 3.0=100 HD3 LYS 40 + HE2 LYS 40 OK 38 38 100 100 2.3-3.0 3.0=100 HB3 LEU 64 - HE2 LYS 82 far 0 75 0 - 5.7-6.4 HG3 LYS 39 - HE2 LYS 40 far 0 33 0 - 6.6-11.5 HG LEU 64 - HE2 LYS 82 far 0 91 0 - 7.1-8.4 HB2 LEU 38 - HE2 LYS 40 far 0 38 0 - 9.5-11.2 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 - 8.0-11.5 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 - 7.2-8.5 HE3 LYS 39 - HE2 LYS 40 far 0 30 0 - 7.5-12.3 HE2 LYS 39 - HE2 LYS 40 far 0 34 0 - 8.6-13.2 Violated in 0 structures by 0.00 A. Peak 3726 from cnoeabs.peaks (4.70, 2.85, 41.51 ppm; 5.06 A increased from 4.76 A): 1 out of 5 assignments used, quality = 1.00: * HA LYS 82 + HE3 LYS 82 OK 100 100 100 100 4.5-4.8 3.0/3668=83, 3.0/3657=76...(17) HA ARG 79 - HE2 LYS 53 far 0 46 0 - 5.6-9.9 HA ARG 79 - HE3 LYS 53 far 0 52 0 - 6.5-10.6 HA LEU 55 - HE2 LYS 53 far 0 30 0 - 6.7-10.3 HA LEU 55 - HE3 LYS 53 far 0 34 0 - 7.2-10.3 Violated in 0 structures by 0.00 A. Peak 3727 from cnoeabs.peaks (1.34, 2.85, 41.51 ppm; 3.76 A): 3 out of 13 assignments used, quality = 1.00: * HB2 LYS 82 + HE3 LYS 82 OK 100 100 100 100 2.7-3.8 1.8/3668=66, 3657=59...(14) HG2 LYS 39 + HE3 LYS 39 OK 55 55 100 100 2.6-3.8 3.5=100 HG2 LYS 39 + HE2 LYS 39 OK 52 65 80 100 2.2-4.2 3.5=100 HB2 LEU 70 - HE2 LYS 39 far 0 48 0 - 4.9-7.8 HB2 LEU 70 - HE3 LYS 39 far 0 40 0 - 5.1-7.8 HG3 LYS 40 - HE3 LYS 39 far 0 48 0 - 8.3-10.2 QB ALA 67 - HE3 LYS 39 far 0 54 0 - 8.5-10.5 QB ALA 67 - HE2 LYS 39 far 0 64 0 - 8.6-10.5 HB3 LEU 2 - HE3 LYS 53 far 0 52 0 - 8.7-10.8 HB3 LEU 2 - HE2 LYS 53 far 0 46 0 - 9.0-11.2 HG3 LYS 40 - HE2 LYS 39 far 0 58 0 - 9.0-10.9 QB ALA 67 - HE3 LYS 82 far 0 100 0 - 9.0-10.0 QB ALA 89 - HE3 LYS 82 far 0 100 0 - 9.7-10.8 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 11 assignments used, quality = 1.00: * HB3 LYS 82 + HE3 LYS 82 OK 100 100 100 100 2.0-2.6 3668=79, 3717/1.8=65...(16) HB2 LYS 39 + HE2 LYS 39 OK 38 38 100 100 2.7-4.0 4.9=45, 1686/3.0=29...(60) HB2 LYS 39 + HE3 LYS 39 OK 31 31 100 100 2.2-3.5 4.9=45, 1686/3.0=29...(57) HD2 ARG 81 - HE3 LYS 82 far 0 59 0 - 5.7-9.7 HB VAL 78 - HE2 LYS 53 far 0 43 0 - 6.3-10.3 HB VAL 78 - HE3 LYS 53 far 0 48 0 - 6.4-11.0 HB2 LYS 66 - HE3 LYS 39 far 0 55 0 - 6.8-9.7 HB2 LYS 66 - HE2 LYS 39 far 0 65 0 - 7.2-9.5 HB3 GLU 63 - HE3 LYS 82 far 0 97 0 - 8.1-8.7 HG3 ARG 46 - HE2 LYS 39 far 0 52 0 - 8.6-12.9 HB ILE 56 - HE2 LYS 53 far 0 49 0 - 9.8-14.0 Violated in 0 structures by 0.00 A. Peak 3729 from cnoeabs.peaks (1.06, 2.85, 41.51 ppm; 4.68 A): 1 out of 9 assignments used, quality = 1.00: * HG2 LYS 82 + HE3 LYS 82 OK 100 100 100 100 3.5-3.7 3.9=100 HG12 ILE 52 - HE2 LYS 53 far 0 39 0 - 6.6-9.2 HG12 ILE 52 - HE3 LYS 53 far 0 44 0 - 6.8-9.2 HB3 LEU 55 - HE2 LYS 53 far 0 26 0 - 7.1-10.7 HB3 LEU 55 - HE3 LYS 53 far 0 30 0 - 7.2-11.4 HG12 ILE 76 - HE2 LYS 39 far 0 48 0 - 8.0-11.0 HB3 ARG 81 - HE3 LYS 82 far 0 100 0 - 8.4-9.1 HG12 ILE 76 - HE3 LYS 39 far 0 40 0 - 9.5-11.3 HG12 ILE 76 - HE3 LYS 53 far 0 40 0 - 9.7-14.4 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 2.3-3.1 3.9=100 HB3 LEU 3 - HE3 LYS 53 far 0 51 0 - 6.8-9.0 HG2 LYS 40 - HE3 LYS 39 far 0 45 0 - 7.6-10.1 HB3 LEU 3 - HE2 LYS 53 far 0 45 0 - 7.6-8.9 HG2 LYS 40 - HE2 LYS 39 far 0 55 0 - 8.9-10.9 QG2 THR 34 - HE3 LYS 39 far 0 28 0 - 9.0-9.9 QG2 THR 34 - HE2 LYS 39 far 0 34 0 - 9.0-11.2 Violated in 0 structures by 0.00 A. Peak 3731 from cnoeabs.peaks (1.46, 2.85, 41.51 ppm; 3.20 A): 6 out of 29 assignments used, quality = 1.00: * HD2 LYS 82 + HE3 LYS 82 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 53 + HE3 LYS 53 OK 55 55 100 100 2.3-3.0 3.0=100 HG2 LYS 53 + HE3 LYS 53 OK 50 54 95 98 2.2-3.6 3.9=54, 2422/3.0=27...(31) HD2 LYS 53 + HE2 LYS 53 OK 49 49 100 100 2.4-3.0 3.0=100 HG2 LYS 53 + HE2 LYS 53 OK 24 48 50 98 2.1-3.7 3.9=54, 2422/3.0=27...(34) HG3 LYS 39 + HE3 LYS 39 OK 23 47 50 100 2.3-4.2 3.5=74, 1720/3.0=37...(71) HG3 LYS 39 - HE2 LYS 39 poor 17 57 30 - 2.4-4.2 HG3 LYS 53 - HE2 LYS 53 poor 12 47 25 - 2.7-4.2 HG3 LYS 53 - HE3 LYS 53 poor 11 53 20 - 2.8-4.1 HG2 LYS 73 - HE2 LYS 39 far 0 39 0 - 4.8-8.5 HB3 LEU 64 - HE3 LYS 82 far 0 75 0 - 5.3-6.7 HB2 LEU 38 - HE3 LYS 39 far 0 54 0 - 5.5-8.2 HB2 LEU 38 - HE2 LYS 39 far 0 65 0 - 5.6-8.3 HG2 LYS 73 - HE3 LYS 39 far 0 32 0 - 6.0-9.5 HG LEU 64 - HE3 LYS 82 far 0 91 0 - 6.8-8.8 HG LEU 38 - HE3 LYS 39 far 0 55 0 - 7.4-9.4 HG13 ILE 52 - HE2 LYS 53 far 0 49 0 - 7.5-9.6 HG13 ILE 52 - HE3 LYS 53 far 0 55 0 - 7.5-9.0 HG LEU 38 - HE2 LYS 39 far 0 65 0 - 7.6-9.7 HD2 LYS 40 - HE3 LYS 39 far 0 54 0 - 8.3-10.1 HG3 LYS 66 - HE3 LYS 39 far 0 31 0 - 8.4-11.3 HD3 LYS 40 - HE3 LYS 39 far 0 54 0 - 8.8-11.3 HG13 ILE 76 - HE2 LYS 39 far 0 52 0 - 8.9-12.0 HG3 LYS 66 - HE2 LYS 39 far 0 38 0 - 9.0-11.1 HD2 LYS 40 - HE2 LYS 39 far 0 65 0 - 9.1-11.1 HG13 ILE 76 - HE3 LYS 53 far 0 43 0 - 9.2-13.5 HG2 LYS 66 - HE3 LYS 39 far 0 33 0 - 9.4-12.6 HG13 ILE 76 - HE2 LYS 53 far 0 38 0 - 9.9-12.7 HG2 LYS 66 - HE2 LYS 39 far 0 41 0 - 10.0-12.3 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 21 assignments used, quality = 1.00: * HD3 LYS 82 + HE3 LYS 82 OK 100 100 100 100 2.6-3.0 3.0=100 HD3 LYS 53 + HE3 LYS 53 OK 50 50 100 100 2.4-3.0 3.0=100 HD3 LYS 53 + HE2 LYS 53 OK 44 44 100 100 2.3-3.0 3.0=100 HB2 ARG 79 - HE2 LYS 53 far 0 27 0 - 4.2-8.2 HG LEU 103 - HE3 LYS 53 far 0 48 0 - 4.4-12.2 HB2 LEU 103 - HE3 LYS 53 far 0 46 0 - 4.7-12.3 HB2 ARG 79 - HE3 LYS 53 far 0 31 0 - 4.9-8.6 HG3 LYS 73 - HE2 LYS 39 far 0 41 0 - 5.0-9.8 HG LEU 103 - HE2 LYS 53 far 0 43 0 - 5.0-13.7 HB2 LEU 103 - HE2 LYS 53 far 0 41 0 - 5.1-12.9 HG2 ARG 79 - HE2 LYS 53 far 0 29 0 - 5.8-9.3 HG2 ARG 79 - HE3 LYS 53 far 0 33 0 - 6.0-9.6 HG3 ARG 79 - HE3 LYS 53 far 0 34 0 - 6.1-10.5 HG3 ARG 79 - HE2 LYS 53 far 0 30 0 - 6.2-10.5 HG3 LYS 73 - HE3 LYS 39 far 0 33 0 - 6.4-10.9 HD2 LYS 66 - HE3 LYS 39 far 0 30 0 - 6.6-12.2 HB2 LEU 3 - HE3 LYS 53 far 0 51 0 - 7.2-9.8 HD2 LYS 66 - HE2 LYS 39 far 0 37 0 - 7.3-11.6 HB2 LEU 3 - HE2 LYS 53 far 0 45 0 - 8.2-9.7 HG12 ILE 56 - HE2 LYS 53 far 0 26 0 - 8.6-12.4 HG12 ILE 56 - HE3 LYS 53 far 0 30 0 - 8.8-13.0 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 - 5.1-7.7 HE3 LYS 40 - HE3 LYS 39 far 0 34 0 - 7.1-12.3 HE2 LYS 40 - HE3 LYS 39 far 0 35 0 - 7.5-12.3 HE3 LYS 40 - HE2 LYS 39 far 0 42 0 - 8.2-12.8 HE2 LYS 40 - HE2 LYS 39 far 0 43 0 - 8.6-13.2 HB2 ASP 65 - HE3 LYS 82 far 0 87 0 - 9.0-10.8 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): 2 out of 5 assignments used, quality = 1.00: * HB VAL 83 + HA VAL 83 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 GLU 88 + HA VAL 83 OK 67 68 100 100 3.7-4.3 1.8/12222=74, 12223=62...(23) HG2 GLU 88 - HA VAL 83 poor 16 79 20 - 3.3-5.5 HB2 LEU 64 - HA VAL 83 far 0 100 0 - 9.3-9.8 HB2 PRO 86 - HA VAL 83 far 0 100 0 - 9.7-10.0 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 4 75 70 9 5.5-7.4 ~3612=4, ~9802=2 QG2 THR 80 - HA VAL 83 far 0 95 0 - 8.5-9.3 HG LEU 55 - HA VAL 83 far 0 100 0 - 9.4-10.2 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 2.2-2.3 3.2=100 QG2 THR 80 - HA VAL 83 far 0 77 0 - 8.5-9.3 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 2.2-2.2 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 3.7-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 3743 from cnoeabs.peaks (4.80, 2.11, 35.30 ppm; 3.45 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 83 + HB VAL 83 OK 100 100 100 100 2.4-2.6 3.0=100 HA TRP 92 - HB VAL 83 far 0 90 0 - 8.3-8.7 HA ASN 60 - HB VAL 83 far 0 96 0 - 9.4-9.9 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 - 6.2-8.2 HG LEU 55 - HB VAL 83 far 0 100 0 - 8.7-9.3 QG2 THR 80 - HB VAL 83 far 0 95 0 - 9.1-9.8 QG2 VAL 5 - HB VAL 83 far 0 95 0 - 9.8-10.6 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 - 9.1-9.8 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 2.9-3.1 7360=100, 7359/3.0=81...(13) Violated in 0 structures by 0.00 A. Peak 3748 from cnoeabs.peaks (9.11, 0.96, 21.21 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 83 + QG2 VAL 83 OK 100 100 100 100 1.9-2.3 7354=100, 7355/2.1=60...(12) H ARG 30 - QG2 VAL 83 far 0 94 0 - 9.9-10.4 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 - 7.0-7.5 HA TRP 92 - QG2 VAL 83 far 0 90 0 - 7.1-7.4 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 far 0 68 0 - 4.0-4.7 HG2 GLU 88 - QG2 VAL 83 far 0 79 0 - 4.8-6.0 HB2 PRO 86 - QG2 VAL 83 far 0 100 0 - 6.4-7.1 HB3 PRO 86 - QG2 VAL 83 far 0 99 0 - 7.0-7.6 HB2 LEU 64 - QG2 VAL 83 far 0 100 0 - 7.9-8.4 QE MET 21 - QG2 VAL 83 far 0 97 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 3751 from cnoeabs.peaks (0.96, 0.96, 21.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 83 + QG2 VAL 83 OK 100 100 - 100 Peak 3752 from cnoeabs.peaks (1.01, 0.96, 21.21 ppm; 2.56 A): 1 out of 3 assignments used, quality = 1.00: * QG1 VAL 83 + QG2 VAL 83 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 80 - QG2 VAL 83 far 0 77 0 - 6.1-6.6 HB3 LEU 55 - QG2 VAL 83 far 0 95 0 - 7.6-8.7 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 3.8-4.1 4.0=100 H ILE 56 - QG2 VAL 83 far 0 98 0 - 7.7-7.9 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 2.8-3.3 7355=100, 7354/2.1=86...(11) 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 2.2-2.3 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 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 3756 from cnoeabs.peaks (2.11, 1.01, 23.61 ppm; 3.08 A): 2 out of 7 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 1.9-2.3 1.8/9813=53, 3.0/9814=28...(30) HG2 GLU 88 - QG1 VAL 83 poor 16 79 20 - 2.8-4.4 HB2 PRO 86 - QG1 VAL 83 far 0 100 0 - 7.5-7.9 HB3 PRO 86 - QG1 VAL 83 far 0 99 0 - 7.6-8.0 QE MET 21 - QG1 VAL 83 far 0 97 0 - 8.3-8.8 HB2 LEU 64 - QG1 VAL 83 far 0 100 0 - 8.5-9.0 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 2.1-2.1 2.1=100 HB2 ARG 81 - QG1 VAL 83 far 0 75 0 - 3.1-4.8 HG LEU 55 - QG1 VAL 83 far 0 100 0 - 5.4-6.4 QG2 THR 80 - QG1 VAL 83 far 0 95 0 - 6.3-7.2 QG2 VAL 5 - QG1 VAL 83 far 0 95 0 - 7.1-8.0 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 3.5-4.0 4.0=100 H ILE 56 - QG1 VAL 83 far 0 98 0 - 7.5-8.2 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 2.4-2.5 3.0=100 HA SER 9 - HA THR 84 far 0 99 0 - 7.6-8.2 Violated in 0 structures by 0.00 A. Peak 3763 from cnoeabs.peaks (1.24, 4.58, 60.96 ppm; 3.17 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 84 + HA THR 84 OK 100 100 100 100 2.3-2.5 3.2=97, 2.1/3766=67...(5) QB ALA 18 - HA THR 84 far 0 96 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 3764 from cnoeabs.peaks (7.69, 4.58, 60.96 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * H SER 85 + HA THR 84 OK 100 100 100 100 2.8-3.1 3.6=100 Violated in 0 structures by 0.00 A. Peak 3765 from cnoeabs.peaks (9.20, 4.44, 70.10 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * H THR 84 + HB THR 84 OK 100 100 100 100 3.8-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 3766 from cnoeabs.peaks (4.58, 4.44, 70.10 ppm; 3.01 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 84 + HB THR 84 OK 100 100 100 100 2.4-2.5 3.0=99, 3763/2.1=57...(6) 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; 4.74 A increased from 4.21 A): 1 out of 1 assignment used, quality = 1.00: * H SER 85 + HB THR 84 OK 100 100 100 100 4.4-4.5 4.7=100 Violated in 0 structures by 0.00 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 2.5-2.9 7365=100, 3.0/3763=71...(7) 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 2.3-2.5 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 - 7.8-8.4 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 4.2-4.4 4.3=100 H LEU 64 - QG2 THR 84 far 0 79 0 - 8.2-8.5 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 2.7-3.0 3.0=100 HB3 SER 9 - HA SER 85 far 0 88 0 - 7.8-8.5 HA ALA 89 - HA SER 85 far 0 100 0 - 8.1-8.3 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 2.3-2.7 3.0=100 HA ASP 87 - HA SER 85 far 0 71 0 - 7.0-7.1 HB2 SER 59 - HA SER 85 far 0 73 0 - 7.1-8.5 HA LYS 13 - HA SER 85 far 0 65 0 - 9.0-9.8 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 2 assignments used, quality = 1.00: * H SER 85 + HB2 SER 85 OK 100 100 100 100 2.8-3.2 4.0=100 H SER 85 - HB3 SER 9 far 0 72 0 - 7.0-8.6 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 2.7-3.0 3.0=100 HA ILE 7 - HB3 SER 9 far 0 71 0 - 5.6-6.8 HA SER 85 - HB3 SER 9 far 0 72 0 - 7.8-8.5 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 0 45 0 - 4.6-7.2 HA ASP 87 - HB2 SER 85 far 0 71 0 - 5.4-7.0 HA LYS 13 - HB3 SER 9 far 0 40 0 - 8.1-9.9 HB2 SER 59 - HB2 SER 85 far 0 73 0 - 8.5-10.3 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 3.7-4.1 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 2.3-2.7 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 2 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 - 7.9-8.8 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 91 100 100 91 2.3-2.4 3.8=54, 3788/1.8=33...(12) * HA SER 85 + HD2 PRO 86 OK 91 100 100 91 2.4-2.5 3.8=54, 3790/1.8=33...(11) Violated in 0 structures by 0.00 A. Peak 3788 from cnoeabs.peaks (3.98, 5.14, 55.20 ppm; 3.12 A): 2 out of 2 assignments used, quality = 0.99: HD3 PRO 86 + HA SER 85 OK 93 100 100 93 2.3-2.4 3.8=57, 1.8/3787=35...(12) * HD2 PRO 86 + HA SER 85 OK 93 100 100 93 2.4-2.5 3.8=57, 1.8/3789=35...(11) 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 91 100 100 91 2.3-2.4 3.8=54, 3788/1.8=33...(12) HA SER 85 + HD2 PRO 86 OK 91 100 100 91 2.4-2.5 3.8=54, 3790/1.8=33...(11) Violated in 0 structures by 0.00 A. Peak 3790 from cnoeabs.peaks (3.98, 5.14, 55.20 ppm; 3.12 A): 2 out of 2 assignments used, quality = 0.99: * HD3 PRO 86 + HA SER 85 OK 93 100 100 93 2.3-2.4 3.8=57, 1.8/3787=35...(12) HD2 PRO 86 + HA SER 85 OK 93 100 100 93 2.4-2.5 3.8=57, 1.8/3789=35...(11) 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 - 8.2-9.0 HA GLU 17 - HD2 PRO 86 far 0 63 0 - 8.7-9.5 Violated in 0 structures by 0.00 A. Peak 3792 from cnoeabs.peaks (2.12, 3.98, 50.67 ppm; 3.74 A): 3 out of 8 assignments used, quality = 1.00: HB2 PRO 86 + HD3 PRO 86 OK 100 100 100 100 3.0-3.0 3.0=100 * HB2 PRO 86 + HD2 PRO 86 OK 100 100 100 100 3.9-3.9 3.0=100 HB3 PRO 86 + HD3 PRO 86 OK 96 96 100 100 3.9-3.9 3.0=100 HB3 PRO 86 - HD2 PRO 86 far 0 96 0 - 4.0-4.0 HG2 GLU 88 - HD2 PRO 86 far 0 90 0 - 4.9-7.7 HG2 GLU 88 - HD3 PRO 86 far 0 89 0 - 6.0-8.7 HB VAL 83 - HD3 PRO 86 far 0 100 0 - 6.6-7.0 HB VAL 83 - HD2 PRO 86 far 0 100 0 - 6.7-6.9 Violated in 0 structures by 0.00 A. Peak 3793 from cnoeabs.peaks (2.10, 3.98, 50.67 ppm; 3.79 A): 4 out of 12 assignments used, quality = 1.00: * HB3 PRO 86 + HD2 PRO 86 OK 100 100 100 100 4.0-4.0 3.0=100 HB3 PRO 86 + HD3 PRO 86 OK 100 100 100 100 3.9-3.9 3.0=100 HB2 PRO 86 + HD2 PRO 86 OK 96 96 100 100 3.9-3.9 3.0=100 HB2 PRO 86 + HD3 PRO 86 OK 96 96 100 100 3.0-3.0 3.0=100 HG2 GLU 88 - HD2 PRO 86 far 0 63 0 - 4.9-7.7 HG2 GLU 88 - HD3 PRO 86 far 0 63 0 - 6.0-8.7 HB VAL 83 - HD3 PRO 86 far 0 99 0 - 6.6-7.0 HB VAL 83 - HD2 PRO 86 far 0 99 0 - 6.7-6.9 HB3 GLU 88 - HD2 PRO 86 far 0 82 0 - 7.4-7.9 HB3 GLU 88 - HD3 PRO 86 far 0 82 0 - 8.0-8.5 HB2 GLU 16 - HD3 PRO 86 far 0 79 0 - 8.4-9.7 HB2 GLU 16 - HD2 PRO 86 far 0 79 0 - 9.6-10.8 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 13 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 HD3 LYS 90 - HD2 PRO 86 far 0 100 0 - 5.9-7.7 HD3 LYS 90 - HD3 PRO 86 far 0 100 0 - 6.1-8.3 HD3 LYS 13 - HD3 PRO 86 far 0 99 0 - 6.3-8.9 HD2 LYS 13 - HD3 PRO 86 far 0 99 0 - 6.3-8.7 HD2 LYS 13 - HD2 PRO 86 far 0 99 0 - 7.1-9.7 HD3 LYS 13 - HD2 PRO 86 far 0 99 0 - 7.2-10.0 HG12 ILE 15 - HD3 PRO 86 far 0 100 0 - 8.3-10.5 HB ILE 15 - HD3 PRO 86 far 0 63 0 - 9.2-9.6 HB3 ARG 91 - HD2 PRO 86 far 0 99 0 - 9.4-9.9 HG12 ILE 15 - HD2 PRO 86 far 0 100 0 - 9.9-12.1 HD2 LYS 20 - HD3 PRO 86 far 0 96 0 - 10.0-12.0 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 - 8.6-10.8 HB3 GLU 16 - HD2 PRO 86 far 0 77 0 - 9.9-11.9 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 2 assignments used, quality = 1.00: * H ASP 87 + HD2 PRO 86 OK 100 100 100 100 2.6-2.7 7377/3.0=76, 7380/2.3=70...(13) H ASP 87 + HD3 PRO 86 OK 100 100 100 100 3.8-3.8 7377/3.0=76, 7380/2.3=70...(13) 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 - 8.2-9.0 HA GLU 17 - HD2 PRO 86 far 0 63 0 - 8.7-9.5 Violated in 0 structures by 0.00 A. Peak 3800 from cnoeabs.peaks (2.12, 3.98, 50.67 ppm; 3.74 A): 3 out of 8 assignments used, quality = 1.00: * HB2 PRO 86 + HD3 PRO 86 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 PRO 86 + HD2 PRO 86 OK 100 100 100 100 3.9-3.9 3.0=100 HB3 PRO 86 + HD3 PRO 86 OK 96 96 100 100 3.9-3.9 3.0=100 HB3 PRO 86 - HD2 PRO 86 far 0 96 0 - 4.0-4.0 HG2 GLU 88 - HD2 PRO 86 far 0 89 0 - 4.9-7.7 HG2 GLU 88 - HD3 PRO 86 far 0 90 0 - 6.0-8.7 HB VAL 83 - HD3 PRO 86 far 0 100 0 - 6.6-7.0 HB VAL 83 - HD2 PRO 86 far 0 100 0 - 6.7-6.9 Violated in 0 structures by 0.00 A. Peak 3801 from cnoeabs.peaks (2.10, 3.98, 50.67 ppm; 3.79 A): 4 out of 12 assignments used, quality = 1.00: * HB3 PRO 86 + HD3 PRO 86 OK 100 100 100 100 3.9-3.9 3.0=100 HB3 PRO 86 + HD2 PRO 86 OK 100 100 100 100 4.0-4.0 3.0=100 HB2 PRO 86 + HD3 PRO 86 OK 96 96 100 100 3.0-3.0 3.0=100 HB2 PRO 86 + HD2 PRO 86 OK 96 96 100 100 3.9-3.9 3.0=100 HG2 GLU 88 - HD2 PRO 86 far 0 63 0 - 4.9-7.7 HG2 GLU 88 - HD3 PRO 86 far 0 63 0 - 6.0-8.7 HB VAL 83 - HD3 PRO 86 far 0 99 0 - 6.6-7.0 HB VAL 83 - HD2 PRO 86 far 0 99 0 - 6.7-6.9 HB3 GLU 88 - HD2 PRO 86 far 0 82 0 - 7.4-7.9 HB3 GLU 88 - HD3 PRO 86 far 0 82 0 - 8.0-8.5 HB2 GLU 16 - HD3 PRO 86 far 0 79 0 - 8.4-9.7 HB2 GLU 16 - HD2 PRO 86 far 0 79 0 - 9.6-10.8 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 13 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 HD3 LYS 90 - HD2 PRO 86 far 0 100 0 - 5.9-7.7 HD3 LYS 90 - HD3 PRO 86 far 0 100 0 - 6.1-8.3 HD3 LYS 13 - HD3 PRO 86 far 0 99 0 - 6.3-8.9 HD2 LYS 13 - HD3 PRO 86 far 0 99 0 - 6.3-8.7 HD2 LYS 13 - HD2 PRO 86 far 0 99 0 - 7.1-9.7 HD3 LYS 13 - HD2 PRO 86 far 0 99 0 - 7.2-10.0 HG12 ILE 15 - HD3 PRO 86 far 0 100 0 - 8.3-10.5 HB ILE 15 - HD3 PRO 86 far 0 63 0 - 9.2-9.6 HB3 ARG 91 - HD2 PRO 86 far 0 99 0 - 9.4-9.9 HG12 ILE 15 - HD2 PRO 86 far 0 100 0 - 9.9-12.1 HD2 LYS 20 - HD3 PRO 86 far 0 96 0 - 10.0-12.0 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 - 8.6-10.8 HB3 GLU 16 - HD2 PRO 86 far 0 77 0 - 9.9-11.9 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 2 assignments used, quality = 1.00: H ASP 87 + HD2 PRO 86 OK 100 100 100 100 2.6-2.7 7377/3.0=76, 7380/2.3=70...(13) * H ASP 87 + HD3 PRO 86 OK 100 100 100 100 3.8-3.8 7377/3.0=76, 7380/2.3=70...(13) Violated in 0 structures by 0.00 A. Peak 3807 from cnoeabs.peaks (4.09, 4.09, 65.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 86 + HA PRO 86 OK 100 100 - 100 Peak 3808 from cnoeabs.peaks (2.12, 4.09, 65.04 ppm; 3.28 A): 2 out of 5 assignments used, quality = 1.00: * HB2 PRO 86 + HA PRO 86 OK 100 100 100 100 2.3-2.3 2.3=100 HB3 PRO 86 + HA PRO 86 OK 96 96 100 100 2.7-2.7 2.3=100 HB VAL 83 - HA PRO 86 far 0 100 0 - 5.3-5.6 HG2 GLU 88 - HA PRO 86 far 0 90 0 - 5.4-7.6 QE MET 21 - HA PRO 86 far 0 91 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 3809 from cnoeabs.peaks (2.10, 4.09, 65.04 ppm; 3.37 A): 2 out of 7 assignments used, quality = 1.00: * HB3 PRO 86 + HA PRO 86 OK 100 100 100 100 2.7-2.7 2.3=100 HB2 PRO 86 + HA PRO 86 OK 96 96 100 100 2.3-2.3 2.3=100 HB VAL 83 - HA PRO 86 far 0 99 0 - 5.3-5.6 HG2 GLU 88 - HA PRO 86 far 0 63 0 - 5.4-7.6 HB3 GLU 88 - HA PRO 86 far 0 82 0 - 6.2-6.8 HB2 GLU 16 - HA PRO 86 far 0 79 0 - 7.7-8.6 QE MET 21 - HA PRO 86 far 0 100 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 3810 from cnoeabs.peaks (1.69, 4.09, 65.04 ppm; 4.29 A): 2 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 OK 88 100 95 92 3.7-6.1 7422/9950=42...(17) HG12 ILE 15 - HA PRO 86 far 0 100 0 - 7.2-9.2 HB3 ARG 91 - HA PRO 86 far 0 99 0 - 7.9-8.3 HD2 LYS 13 - HA PRO 86 far 0 99 0 - 8.0-10.5 HD2 LYS 20 - HA PRO 86 far 0 96 0 - 8.2-10.4 HD3 LYS 20 - HA PRO 86 far 0 94 0 - 8.2-11.0 HD3 LYS 13 - HA PRO 86 far 0 99 0 - 8.2-10.5 HB ILE 15 - HA PRO 86 far 0 63 0 - 8.3-8.6 HG3 LYS 20 - HA PRO 86 far 0 94 0 - 9.0-11.1 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 - 8.0-9.4 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 - 7.4-7.8 Violated in 0 structures by 0.00 A. Peak 3815 from cnoeabs.peaks (4.09, 2.12, 31.71 ppm; 3.52 A): 2 out of 4 assignments used, quality = 1.00: * HA PRO 86 + HB2 PRO 86 OK 100 100 100 100 2.3-2.3 2.3=100 HA PRO 86 + HB3 PRO 86 OK 92 92 100 100 2.7-2.7 2.3=100 HA GLU 17 - HB3 PRO 86 far 0 53 0 - 4.8-5.5 HA GLU 17 - HB2 PRO 86 far 0 63 0 - 5.2-6.0 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): 4 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 OK 78 91 95 90 2.3-4.7 10315/4.9=27...(13) HD3 LYS 90 + HB2 PRO 86 OK 73 100 80 91 3.8-6.4 10315/4.9=27...(17) HD2 LYS 13 - HB2 PRO 86 far 0 99 0 - 5.7-8.2 HD3 LYS 13 - HB2 PRO 86 far 0 99 0 - 6.0-8.3 HD2 LYS 13 - HB3 PRO 86 far 0 90 0 - 6.2-9.0 HD3 LYS 20 - HB3 PRO 86 far 0 82 0 - 6.6-9.7 HD3 LYS 13 - HB3 PRO 86 far 0 89 0 - 6.6-9.2 HD2 LYS 20 - HB3 PRO 86 far 0 85 0 - 6.8-9.1 HG12 ILE 15 - HB2 PRO 86 far 0 100 0 - 7.0-9.2 HD2 LYS 20 - HB2 PRO 86 far 0 96 0 - 7.1-9.2 HD3 LYS 20 - HB2 PRO 86 far 0 94 0 - 7.1-9.9 HB ILE 15 - HB2 PRO 86 far 0 63 0 - 7.6-7.9 HG3 LYS 20 - HB3 PRO 86 far 0 82 0 - 7.8-9.8 HG3 LYS 20 - HB2 PRO 86 far 0 94 0 - 8.3-10.1 HG12 ILE 15 - HB3 PRO 86 far 0 92 0 - 8.5-10.5 HB3 ARG 91 - HB3 PRO 86 far 0 89 0 - 8.6-9.1 HB ILE 15 - HB3 PRO 86 far 0 53 0 - 8.9-9.3 HB3 ARG 91 - HB2 PRO 86 far 0 99 0 - 9.7-10.1 HD3 LYS 12 - HB2 PRO 86 far 0 99 0 - 9.9-11.6 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 2.3-2.7 2.3=100 HB3 GLU 16 - HB2 PRO 86 far 0 77 0 - 6.3-8.1 HB3 GLU 16 - HB3 PRO 86 far 0 65 0 - 7.2-8.5 Violated in 0 structures by 0.00 A. Peak 3820 from cnoeabs.peaks (3.98, 2.12, 31.71 ppm; 3.98 A): 4 out of 4 assignments used, quality = 1.00: HD3 PRO 86 + HB2 PRO 86 OK 100 100 100 100 3.0-3.0 3.0=100 * HD2 PRO 86 + HB2 PRO 86 OK 100 100 100 100 3.9-3.9 3.0=100 HD2 PRO 86 + HB3 PRO 86 OK 92 92 100 100 4.0-4.0 3.0=100 HD3 PRO 86 + HB3 PRO 86 OK 92 92 100 100 3.9-3.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3821 from cnoeabs.peaks (3.98, 2.12, 31.71 ppm; 3.98 A): 4 out of 4 assignments used, quality = 1.00: * HD3 PRO 86 + HB2 PRO 86 OK 100 100 100 100 3.0-3.0 3.0=100 HD2 PRO 86 + HB2 PRO 86 OK 100 100 100 100 3.9-3.9 3.0=100 HD3 PRO 86 + HB3 PRO 86 OK 92 92 100 100 3.9-3.9 3.0=100 HD2 PRO 86 + HB3 PRO 86 OK 92 92 100 100 4.0-4.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3822 from cnoeabs.peaks (8.13, 2.12, 31.71 ppm; 4.41 A): 2 out of 4 assignments used, quality = 1.00: * H ASP 87 + HB2 PRO 86 OK 100 100 100 100 4.0-4.1 3.9=100 H ASP 87 + HB3 PRO 86 OK 92 92 100 100 3.1-3.3 3.9=100 H TRP 92 - HB3 PRO 86 far 0 91 0 - 8.6-9.0 H TRP 92 - HB2 PRO 86 far 0 100 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 3823 from cnoeabs.peaks (4.09, 2.10, 31.71 ppm; 3.49 A): 2 out of 4 assignments used, quality = 1.00: * HA PRO 86 + HB3 PRO 86 OK 100 100 100 100 2.7-2.7 2.3=100 HA PRO 86 + HB2 PRO 86 OK 92 92 100 100 2.3-2.3 2.3=100 HA GLU 17 - HB3 PRO 86 far 0 63 0 - 4.8-5.5 HA GLU 17 - HB2 PRO 86 far 0 53 0 - 5.2-6.0 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): 4 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 OK 88 100 95 92 2.3-4.7 7422/9944=29...(13) HD3 LYS 90 + HB2 PRO 86 OK 66 91 80 91 3.8-6.4 10315/4.9=27...(17) HD2 LYS 13 - HB2 PRO 86 far 0 90 0 - 5.7-8.2 HD3 LYS 13 - HB2 PRO 86 far 0 89 0 - 6.0-8.3 HD2 LYS 13 - HB3 PRO 86 far 0 99 0 - 6.2-9.0 HD3 LYS 20 - HB3 PRO 86 far 0 94 0 - 6.6-9.7 HD3 LYS 13 - HB3 PRO 86 far 0 99 0 - 6.6-9.2 HD2 LYS 20 - HB3 PRO 86 far 0 96 0 - 6.8-9.1 HG12 ILE 15 - HB2 PRO 86 far 0 92 0 - 7.0-9.2 HD2 LYS 20 - HB2 PRO 86 far 0 85 0 - 7.1-9.2 HD3 LYS 20 - HB2 PRO 86 far 0 82 0 - 7.1-9.9 HB ILE 15 - HB2 PRO 86 far 0 53 0 - 7.6-7.9 HG3 LYS 20 - HB3 PRO 86 far 0 94 0 - 7.8-9.8 HG3 LYS 20 - HB2 PRO 86 far 0 82 0 - 8.3-10.1 HG12 ILE 15 - HB3 PRO 86 far 0 100 0 - 8.5-10.5 HB3 ARG 91 - HB3 PRO 86 far 0 99 0 - 8.6-9.1 HB ILE 15 - HB3 PRO 86 far 0 63 0 - 8.9-9.3 HB3 ARG 91 - HB2 PRO 86 far 0 89 0 - 9.7-10.1 HD3 LYS 12 - HB2 PRO 86 far 0 90 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 3827 from cnoeabs.peaks (2.19, 2.10, 31.71 ppm; 3.31 A): 2 out of 4 assignments used, quality = 1.00: * HG3 PRO 86 + HB3 PRO 86 OK 100 100 100 100 2.3-2.7 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 - 6.3-8.1 HB3 GLU 16 - HB3 PRO 86 far 0 77 0 - 7.2-8.5 Violated in 0 structures by 0.00 A. Peak 3828 from cnoeabs.peaks (3.98, 2.10, 31.71 ppm; 4.05 A): 4 out of 4 assignments used, quality = 1.00: HD3 PRO 86 + HB3 PRO 86 OK 100 100 100 100 3.9-3.9 3.0=100 * HD2 PRO 86 + HB3 PRO 86 OK 100 100 100 100 4.0-4.0 3.0=100 HD2 PRO 86 + HB2 PRO 86 OK 92 92 100 100 3.9-3.9 3.0=100 HD3 PRO 86 + HB2 PRO 86 OK 92 92 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3829 from cnoeabs.peaks (3.98, 2.10, 31.71 ppm; 4.05 A): 4 out of 4 assignments used, quality = 1.00: * HD3 PRO 86 + HB3 PRO 86 OK 100 100 100 100 3.9-3.9 3.0=100 HD2 PRO 86 + HB3 PRO 86 OK 100 100 100 100 4.0-4.0 3.0=100 HD3 PRO 86 + HB2 PRO 86 OK 92 92 100 100 3.0-3.0 3.0=100 HD2 PRO 86 + HB2 PRO 86 OK 92 92 100 100 3.9-3.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3830 from cnoeabs.peaks (8.13, 2.10, 31.71 ppm; 4.45 A): 2 out of 4 assignments used, quality = 1.00: * H ASP 87 + HB3 PRO 86 OK 100 100 100 100 3.1-3.3 3.9=100 H ASP 87 + HB2 PRO 86 OK 92 92 100 100 4.0-4.1 3.9=100 H TRP 92 - HB3 PRO 86 far 0 100 0 - 8.6-9.0 H TRP 92 - HB2 PRO 86 far 0 91 0 - 9.4-9.8 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 69 71 100 98 3.4-4.0 7139/7152=54, ~9506=32...(15) HA GLU 17 - HG2 PRO 86 far 0 63 0 - 6.8-7.5 HA GLU 62 - HG LEU 70 far 0 49 0 - 9.3-9.9 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 8 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 67 74 100 91 3.4-3.9 4.6/7152=42, 10802=40...(9) HB3 GLU 69 + HG LEU 70 OK 42 74 65 88 3.8-4.3 4.6/7152=42...(9) HB3 GLU 35 - HG LEU 70 far 0 38 0 - 5.4-6.5 HG2 GLU 69 - HG LEU 70 far 0 74 0 - 5.5-6.3 HG2 GLU 88 - HG2 PRO 86 far 0 90 0 - 6.3-9.8 HB VAL 83 - HG2 PRO 86 far 0 100 0 - 7.9-8.7 Violated in 0 structures by 0.00 A. Peak 3833 from cnoeabs.peaks (2.10, 1.69, 27.30 ppm; 3.85 A): 4 out of 11 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 55 61 100 89 3.4-3.9 4.6/7152=43...(9) HB3 GLU 69 + HG LEU 70 OK 45 61 85 87 3.8-4.3 4.6/7152=43...(9) HB3 LEU 38 - HG LEU 70 far 0 48 0 - 5.2-7.4 HB3 GLU 35 - HG LEU 70 far 0 59 0 - 5.4-6.5 HG2 GLU 69 - HG LEU 70 far 0 61 0 - 5.5-6.3 HG2 GLU 88 - HG2 PRO 86 far 0 63 0 - 6.3-9.8 HB2 GLU 16 - HG2 PRO 86 far 0 79 0 - 7.2-8.5 HB VAL 83 - HG2 PRO 86 far 0 99 0 - 7.9-8.7 HB3 GLU 88 - HG2 PRO 86 far 0 82 0 - 8.5-9.7 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 6 assignments used, quality = 1.00: * HG3 PRO 86 + HG2 PRO 86 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 35 - HG LEU 70 far 4 75 5 - 3.4-4.8 HG2 GLU 35 - HG LEU 70 far 0 75 0 - 4.0-5.5 HB3 GLU 16 - HG2 PRO 86 far 0 77 0 - 7.5-9.6 HB2 GLN 72 - HG LEU 70 far 0 48 0 - 8.0-8.6 HB2 GLU 63 - HG LEU 70 far 0 75 0 - 9.5-10.3 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 - 5.4-5.8 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 - 5.4-5.8 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 2.2-3.8 7378/2.3=100...(11) H TRP 92 - HG2 PRO 86 far 0 100 0 - 9.8-11.2 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 - 5.5-6.7 HA ARG 46 - HB3 GLU 75 far 0 85 0 - 6.5-7.6 HA GLU 17 - HG3 PRO 86 far 0 63 0 - 6.6-7.7 Violated in 0 structures by 0.00 A. Peak 3840 from cnoeabs.peaks (2.12, 2.19, 27.30 ppm; 2.66 A): 2 out of 5 assignments used, quality = 0.99: HB3 PRO 86 + HG3 PRO 86 OK 96 96 100 100 2.3-2.7 2.3=100 HB2 GLU 75 + HB3 GLU 75 OK 85 85 100 100 1.8-1.8 1.8=100 ! HB2 PRO 86 - HG3 PRO 86 far 10 100 10 - 2.3-3.0 HG2 GLU 88 - HG3 PRO 86 far 0 90 0 - 5.9-8.6 HB VAL 83 - HG3 PRO 86 far 0 100 0 - 7.9-8.5 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 7 assignments used, quality = 1.00: * HB3 PRO 86 + HG3 PRO 86 OK 100 100 100 100 2.3-2.7 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 - 5.9-8.6 HB2 GLU 16 - HG3 PRO 86 far 0 79 0 - 7.1-9.2 HB VAL 83 - HG3 PRO 86 far 0 99 0 - 7.9-8.5 HB3 GLU 88 - HG3 PRO 86 far 0 82 0 - 8.1-9.6 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 - 4.1-5.8 HD2 LYS 13 - HG3 PRO 86 far 0 99 0 - 4.7-8.9 HD3 LYS 13 - HG3 PRO 86 far 0 99 0 - 5.1-9.2 HD3 LYS 73 - HB3 GLU 75 far 0 70 0 - 7.1-11.2 HD2 LYS 73 - HB3 GLU 75 far 0 74 0 - 7.3-11.3 HD2 LYS 20 - HG3 PRO 86 far 0 96 0 - 8.4-11.0 HD3 LYS 20 - HG3 PRO 86 far 0 94 0 - 8.4-11.9 HB3 ARG 91 - HG3 PRO 86 far 0 99 0 - 9.0-10.9 HB ILE 15 - HG3 PRO 86 far 0 63 0 - 9.1-10.8 HG3 LYS 20 - HG3 PRO 86 far 0 94 0 - 9.7-11.9 HG12 ILE 15 - HG3 PRO 86 far 0 100 0 - 9.9-12.1 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 3.0-3.0 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 3.0-3.0 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 2.1-3.8 7380=100, 7377/2.3=97...(11) H TRP 92 - HG3 PRO 86 far 0 100 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 3847 from cnoeabs.peaks (8.13, 4.22, 57.31 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 87 + HA ASP 87 OK 100 100 100 100 2.8-2.8 2.9=100 H TRP 92 - HA ASP 87 far 0 100 0 - 6.4-6.8 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; 3.13 A increased from 2.94 A): 2 out of 4 assignments used, quality = 1.00: HB3 ASP 87 + HA ASP 87 OK 100 100 100 100 2.4-3.0 3.0=100 * HB2 ASP 87 + HA ASP 87 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 ARG 91 - HA ASP 87 far 0 99 0 - 6.9-7.6 HG3 GLU 95 - HA ASP 87 far 0 81 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 3850 from cnoeabs.peaks (2.50, 4.22, 57.31 ppm; 3.13 A increased from 2.94 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ASP 87 + HA ASP 87 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ASP 87 + HA ASP 87 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 ARG 91 - HA ASP 87 far 0 99 0 - 6.9-7.6 HG3 GLU 95 - HA ASP 87 far 0 81 0 - 9.9-12.4 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 3.5-3.5 3.6=100 H LEU 14 - HA ASP 87 far 0 93 0 - 9.8-10.3 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 = 0.94: * H ASP 87 + HB2 ASP 87 OK 90 100 100 90 2.2-2.7 7385=71, 7386/4.6=28...(10) H ASP 87 + HB3 ASP 87 OK 40 100 45 90 2.6-3.6 7385/1.8=56, 4.0=53...(9) H TRP 92 - HB3 ASP 87 far 0 100 0 - 7.3-7.9 H TRP 92 - HB2 ASP 87 far 0 100 0 - 7.8-8.7 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 2.4-3.0 3.0=100 * HA ASP 87 + HB2 ASP 87 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 SER 85 + HB2 ASP 87 OK 20 71 50 56 3.0-4.2 9849/4.0=16...(9) HB3 SER 85 - HB3 ASP 87 far 11 71 15 - 3.2-5.9 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; 4.06 A increased from 3.61 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 88 + HB2 ASP 87 OK 98 100 100 98 2.6-4.0 4.6=68, 7386/4.0=55...(14) H GLU 88 + HB3 ASP 87 OK 97 100 100 97 2.8-4.0 4.6=68, 7386/4.0=55...(13) 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 = 0.94: H ASP 87 + HB2 ASP 87 OK 90 100 100 90 2.2-2.7 7385=71, 7386/4.6=28...(10) * H ASP 87 + HB3 ASP 87 OK 40 100 45 90 2.6-3.6 7385/1.8=56, 4.0=53...(9) H TRP 92 - HB3 ASP 87 far 0 100 0 - 7.3-7.9 H TRP 92 - HB2 ASP 87 far 0 100 0 - 7.8-8.7 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 2.4-3.0 3.0=100 HA ASP 87 + HB2 ASP 87 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 SER 85 + HB2 ASP 87 OK 20 71 50 56 3.0-4.2 9849/4.0=16...(9) HB3 SER 85 - HB3 ASP 87 far 11 71 15 - 3.2-5.9 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; 4.06 A increased from 3.61 A): 2 out of 2 assignments used, quality = 1.00: H GLU 88 + HB2 ASP 87 OK 98 100 100 98 2.6-4.0 4.6=68, 7386/4.0=55...(14) * H GLU 88 + HB3 ASP 87 OK 97 100 100 97 2.8-4.0 4.6=68, 7386/4.0=55...(13) 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 - 6.9-7.4 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 - 5.1-5.4 HB3 LYS 90 - HA GLU 88 far 0 85 0 - 6.7-7.0 HB2 GLU 88 - HA LEU 14 far 0 55 0 - 7.7-8.2 HB2 LYS 90 - HA LEU 14 far 0 55 0 - 8.1-8.8 HB ILE 93 - HA GLU 88 far 0 100 0 - 8.3-8.6 HB3 LYS 90 - HA LEU 14 far 0 41 0 - 8.8-9.4 HB3 LEU 57 - HA LEU 14 far 0 50 0 - 9.2-10.0 HB3 LEU 57 - HA GLU 88 far 0 96 0 - 9.4-9.7 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 10 assignments used, quality = 1.00: * HB3 GLU 88 + HA GLU 88 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 PRO 86 + HA LEU 14 OK 29 39 75 97 3.5-3.9 2.3/9885=47, 2.3/9887=34...(24) HB VAL 83 - HA GLU 88 far 0 68 0 - 4.9-5.5 HB2 GLU 16 - HA LEU 14 far 0 55 0 - 5.1-6.3 HB3 PRO 86 - HA GLU 88 far 0 82 0 - 7.4-7.7 HB VAL 83 - HA LEU 14 far 0 31 0 - 7.6-8.1 QE MET 21 - HA GLU 88 far 0 91 0 - 8.3-8.9 HB2 MET 21 - HA LEU 14 far 0 39 0 - 8.5-9.2 HB3 GLU 88 - HA LEU 14 far 0 55 0 - 9.2-9.9 HB2 MET 21 - HA GLU 88 far 0 82 0 - 9.4-9.9 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 99 100 100 99 2.3-3.7 3887=74, 1.8/3894=65...(15) HB2 PRO 86 + HA LEU 14 OK 44 44 100 99 1.9-2.3 2.3/9885=53, 2.3/9887=39...(26) HB3 PRO 86 + HA LEU 14 OK 28 28 100 99 3.5-3.9 2.3/9885=53, 2.3/9887=39...(24) HB VAL 83 - HA GLU 88 far 0 79 0 - 4.9-5.5 HB3 GLU 16 - HA LEU 14 far 0 42 0 - 5.3-7.2 HB3 PRO 86 - HA GLU 88 far 0 63 0 - 7.4-7.7 HB VAL 83 - HA LEU 14 far 0 37 0 - 7.6-8.1 HB3 GLU 95 - HA GLU 88 far 0 95 0 - 8.0-9.9 HB2 PRO 86 - HA GLU 88 far 0 90 0 - 8.2-8.4 HG2 GLU 88 - HA LEU 14 far 0 55 0 - 8.3-10.7 Violated in 0 structures by 0.00 A. Peak 3867 from cnoeabs.peaks (1.94, 3.66, 58.73 ppm; 3.92 A increased from 3.48 A): 2 out of 9 assignments used, quality = 1.00: * HG3 GLU 88 + HA GLU 88 OK 100 100 100 100 3.4-3.9 3894=100, 1.8/3887=72...(16) HB3 LYS 13 + HA LEU 14 OK 21 37 60 96 4.0-4.4 3.0/8391=35, 4.0/8389=27...(16) HB2 GLU 17 - HA LEU 14 far 6 55 10 - 4.2-5.1 HB2 LYS 13 - HA LEU 14 far 0 39 0 - 4.3-4.7 HB3 ARG 19 - HA LEU 14 far 0 51 0 - 8.0-8.8 HG3 GLU 88 - HA LEU 14 far 0 55 0 - 8.0-9.8 HB2 LYS 94 - HA GLU 88 far 0 91 0 - 8.1-10.3 HB2 GLU 17 - HA GLU 88 far 0 100 0 - 8.2-8.9 HB3 LYS 20 - HA LEU 14 far 0 53 0 - 8.5-11.0 Violated in 0 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 3.6-3.6 3.6=100 H ALA 89 - HA LEU 14 far 0 55 0 - 6.3-6.7 HE3 TRP 92 - HA GLU 88 far 0 100 0 - 7.3-8.0 HE ARG 19 - HA LEU 14 far 0 39 0 - 9.2-11.4 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 = 0.99: * H ARG 91 + HA GLU 88 OK 99 100 100 99 3.4-3.8 7443/4034=63...(11) HZ2 TRP 92 - HA GLU 88 far 0 91 0 - 6.1-7.0 HE3 TRP 92 - HA GLU 88 far 0 59 0 - 7.3-8.0 HE ARG 19 - HA LEU 14 far 0 48 0 - 9.2-11.4 H ARG 91 - HA LEU 14 far 0 55 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 3870 from cnoeabs.peaks (1.49, 3.66, 58.73 ppm; 3.55 A): 2 out of 9 assignments used, quality = 0.64: * HB2 ARG 91 + HA GLU 88 OK 49 100 50 98 3.7-4.2 4024=62, 1.8/4034=58...(16) HB2 LEU 14 + HA LEU 14 OK 29 29 100 100 2.3-2.4 3.0=100 HG3 ARG 91 - HA GLU 88 far 0 70 0 - 4.6-5.9 HG3 LYS 13 - HA LEU 14 far 0 52 0 - 6.4-6.6 HG LEU 57 - HA GLU 88 far 0 96 0 - 7.6-8.1 HG2 LYS 20 - HA LEU 14 far 0 37 0 - 7.8-10.8 HB ILE 7 - HA LEU 14 far 0 29 0 - 7.9-8.7 HG LEU 57 - HA LEU 14 far 0 50 0 - 9.1-10.3 HB2 LEU 14 - HA GLU 88 far 0 65 0 - 9.6-10.2 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 13 assignments used, quality = 0.99: * HB3 ARG 91 + HA GLU 88 OK 99 100 100 99 2.6-2.9 4034=68, 1.8/4024=58...(13) HG2 PRO 86 + HA LEU 14 OK 34 53 65 97 3.6-4.8 9887=41, 3.8/9885=37...(17) HG12 ILE 15 - HA LEU 14 far 0 52 0 - 5.1-7.0 HD3 LYS 90 - HA LEU 14 far 0 51 0 - 5.2-8.1 HD2 LYS 13 - HA LEU 14 far 0 48 0 - 5.7-7.8 HD3 LYS 13 - HA LEU 14 far 0 46 0 - 5.7-7.8 HD3 LYS 90 - HA GLU 88 far 0 97 0 - 6.1-7.2 HD2 LYS 20 - HA LEU 14 far 0 55 0 - 7.1-8.8 HD3 LYS 20 - HA LEU 14 far 0 54 0 - 7.3-9.7 HG2 PRO 86 - HA GLU 88 far 0 99 0 - 7.5-9.0 HG3 LYS 20 - HA LEU 14 far 0 54 0 - 8.2-10.0 HD3 LYS 12 - HA LEU 14 far 0 48 0 - 8.3-9.5 HD2 LYS 12 - HA LEU 14 far 0 48 0 - 8.5-10.2 Violated in 0 structures by 0.00 A. Peak 3872 from cnoeabs.peaks (7.57, 1.81, 30.05 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 88 + HB2 GLU 88 OK 100 100 100 100 2.3-2.7 3.9=100 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 - 7.4-7.6 HA LEU 14 - HB2 GLU 88 far 0 88 0 - 7.7-8.2 HB THR 80 - HB2 GLU 104 far 0 78 0 - 9.2-27.1 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 97 2.0-2.5 2.1/9813=41, 9822=23...(25) HB3 PRO 86 - HB2 GLU 88 far 0 82 0 - 6.7-7.1 HB2 GLU 99 - HB2 GLU 104 far 0 57 0 - 7.4-15.7 HB3 GLU 98 - HB2 GLU 104 far 0 57 0 - 9.1-17.0 QE MET 21 - HB2 GLU 88 far 0 91 0 - 9.5-10.2 HB2 GLU 98 - HB2 GLU 104 far 0 59 0 - 9.7-17.0 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 6 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 2.4-3.0 3.0=100 HB VAL 83 + HB2 GLU 88 OK 78 79 100 99 2.0-2.5 2.1/9813=53, 9822=40...(25) HB3 PRO 86 - HB2 GLU 88 far 0 63 0 - 6.7-7.1 HB2 PRO 86 - HB2 GLU 88 far 0 90 0 - 6.8-7.2 HB3 GLU 95 - HB2 GLU 88 far 0 95 0 - 9.6-11.7 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 4 assignments used, quality = 1.00: * HG3 GLU 88 + HB2 GLU 88 OK 100 100 100 100 2.2-2.4 3.0=100 QE MET 1 - HB2 GLU 104 far 0 59 0 - 5.2-11.4 HB2 MET 1 - HB2 GLU 104 far 0 90 0 - 6.6-18.0 HB2 GLU 17 - HB2 GLU 88 far 0 100 0 - 7.9-8.9 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 2.2-2.5 4.3=100 HE3 TRP 92 - HB2 GLU 88 far 0 100 0 - 8.1-8.8 HE3 TRP 92 - HB2 GLU 104 far 0 89 0 - 9.6-21.5 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 3.6-3.6 3.9=94, 7393/1.8=83...(12) 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 2.4-2.6 3.0=100 HA LYS 90 - HB3 GLU 88 far 0 99 0 - 7.7-8.0 HA LEU 14 - HB3 GLU 88 far 0 88 0 - 9.2-9.9 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 HB2 LYS 90 - HB3 GLU 88 far 0 100 0 - 7.0-7.3 HG3 ARG 46 - HB3 GLU 48 far 0 24 0 - 7.5-9.0 HG2 ARG 46 - HB3 GLU 48 far 0 27 0 - 7.7-8.8 HB3 LEU 57 - HB3 GLU 88 far 0 96 0 - 7.8-8.5 HB3 LYS 90 - HB3 GLU 88 far 0 85 0 - 8.5-8.8 HB ILE 93 - HB3 GLU 88 far 0 100 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 3882 from cnoeabs.peaks (2.08, 2.08, 30.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 88 + HB3 GLU 88 OK 100 100 - 100 Peak 3883 from cnoeabs.peaks (2.14, 2.08, 30.05 ppm; 3.17 A increased from 2.82 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLU 88 + HB3 GLU 88 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 83 + HB3 GLU 88 OK 50 79 65 98 2.9-3.7 9822/1.8=35, ~9813=32...(24) HG2 GLU 44 - HB3 GLU 48 far 0 30 0 - 5.3-7.0 HB3 PRO 86 - HB3 GLU 88 far 0 63 0 - 8.1-8.5 HB2 PRO 86 - HB3 GLU 88 far 0 90 0 - 8.4-8.9 HB3 GLU 95 - HB3 GLU 88 far 0 95 0 - 8.6-10.4 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 - 3.8-4.7 HB2 LYS 47 - HB3 GLU 48 far 0 22 0 - 5.1-6.0 HB3 ARG 46 - HB3 GLU 48 far 0 27 0 - 7.1-8.0 HB2 GLU 17 - HB3 GLU 88 far 0 100 0 - 9.2-10.1 HB2 LYS 94 - HB3 GLU 88 far 0 91 0 - 9.6-12.1 HB2 MET 1 - HB3 GLU 48 far 0 31 0 - 9.9-11.4 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 3.1-3.7 4.3=96, 7402/1.8=89...(16) HE3 TRP 92 - HB3 GLU 88 far 0 100 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 3886 from cnoeabs.peaks (7.57, 2.14, 36.78 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 88 + HG2 GLU 88 OK 100 100 100 100 1.9-4.0 7393/3.0=66, 3893/1.8=61...(15) Violated in 2 structures by 0.01 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 2.3-3.7 4.2=88, 3894/1.8=78...(15) HA LEU 14 - HG2 GLU 88 far 0 88 0 - 8.3-10.7 HA LYS 90 - HG2 GLU 88 far 0 99 0 - 8.6-9.7 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 - 6.9-8.5 HB3 LYS 90 - HG2 GLU 88 far 0 85 0 - 8.6-10.1 HB3 LEU 57 - HG2 GLU 88 far 0 96 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 3889 from cnoeabs.peaks (2.08, 2.14, 36.78 ppm; 3.03 A increased from 2.69 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 88 + HG2 GLU 88 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 83 - HG2 GLU 88 far 0 68 0 - 3.4-4.9 HB3 PRO 86 - HG2 GLU 88 far 0 82 0 - 6.6-9.0 Violated in 0 structures by 0.00 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 - 8.5-11.0 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 3.8-4.9 7402/3.0=92, 7405/1.8=90...(16) HE3 TRP 92 - HG2 GLU 88 far 0 100 0 - 8.3-10.3 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 2.2-3.7 3886/1.8=89, 7393/3.0=80...(13) Violated in 0 structures by 0.00 A. Peak 3894 from cnoeabs.peaks (3.66, 1.94, 36.78 ppm; 3.92 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 88 + HG3 GLU 88 OK 100 100 100 100 3.4-3.9 3867=82, 3887/1.8=72...(16) HA LEU 14 - HG3 GLU 88 far 0 88 0 - 8.0-9.8 HA LYS 90 - HG3 GLU 88 far 0 99 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 3895 from cnoeabs.peaks (1.81, 1.94, 36.78 ppm; 3.59 A): 1 out of 4 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 - 7.3-8.5 HB3 LYS 90 - HG3 GLU 88 far 0 85 0 - 9.0-10.1 HB3 LEU 57 - HG3 GLU 88 far 0 96 0 - 9.5-10.0 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 3 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 45 68 70 96 3.1-3.6 2.1/9814=32, 9822/3.0=23...(19) HB3 PRO 86 - HG3 GLU 88 far 0 82 0 - 6.7-8.5 Violated in 0 structures by 0.00 A. Peak 3897 from cnoeabs.peaks (2.14, 1.94, 36.78 ppm; 2.86 A): 1 out of 4 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 far 4 79 5 - 3.1-3.6 HB3 PRO 86 - HG3 GLU 88 far 0 63 0 - 6.7-8.5 HB2 PRO 86 - HG3 GLU 88 far 0 90 0 - 6.9-8.6 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 3.8-4.7 7405=100, 7402/3.0=93...(17) HE3 TRP 92 - HG3 GLU 88 far 0 100 0 - 9.3-10.0 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 2.7-2.8 3.0=100 HE3 TRP 92 - HA ALA 89 far 0 100 0 - 6.4-6.6 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 4 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 - 5.9-6.3 HG2 LYS 94 - HA ALA 89 far 0 100 0 - 7.2-10.1 QB ALA 25 - HA ALA 89 far 0 100 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 3903 from cnoeabs.peaks (8.05, 3.90, 55.61 ppm; 4.64 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 90 + HA ALA 89 OK 100 100 100 100 3.6-3.6 3.6=100 H GLU 17 - HA ALA 89 far 0 95 0 - 9.1-9.5 H ILE 15 - HA ALA 89 far 0 81 0 - 9.5-9.9 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 3.3-3.6 7453/3.6=68...(13) H ASP 87 - HA ALA 89 far 0 100 0 - 7.0-7.3 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 = 1.00: * HB2 TRP 92 + HA ALA 89 OK 100 100 100 100 2.3-2.7 1.8/4106=64, 4094=63...(10) HB2 PHE 96 - HA ALA 89 far 0 100 0 - 7.8-8.9 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 3.7-4.2 4106=100, 1.8/3905=92...(10) 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 - 7.3-7.5 HE ARG 19 - QB ALA 89 far 0 82 0 - 8.1-9.7 Violated in 0 structures by 0.00 A. Peak 3908 from cnoeabs.peaks (3.90, 1.34, 17.35 ppm; 2.91 A): 1 out of 5 assignments used, quality = 1.00: * HA ALA 89 + QB ALA 89 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 SER 85 - QB ALA 89 far 0 100 0 - 5.7-6.6 HB3 SER 9 - QB ALA 89 far 0 85 0 - 5.8-7.1 HA ARG 91 - QB ALA 89 far 0 98 0 - 6.5-6.7 HA LYS 94 - QB ALA 89 far 0 68 0 - 8.2-8.6 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 2.3-2.5 7415=100, 7408/7407=58...(15) H GLU 17 - QB ALA 89 far 0 95 0 - 5.6-5.9 H ILE 15 - QB ALA 89 far 0 81 0 - 6.0-6.3 H GLU 16 - QB ALA 89 far 0 77 0 - 6.7-7.0 H LYS 13 - QB ALA 89 far 0 79 0 - 8.8-9.1 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 3 assignments used, quality = 1.00: * H LYS 90 + HA LYS 90 OK 100 100 100 100 2.8-2.8 3.0=100 H GLU 17 - HA LYS 90 far 0 95 0 - 7.6-8.2 H GLU 16 - HA LYS 90 far 0 77 0 - 9.8-10.4 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 3.0-3.0 3.0=100 HB ILE 93 + HA LYS 90 OK 91 99 100 92 2.8-3.1 4129=41, 3.2/9947=38...(13) HB3 LYS 90 + HA LYS 90 OK 90 90 100 100 2.4-2.5 3.0=100 HB2 GLU 88 - HA LYS 90 far 0 100 0 - 7.4-7.6 HB3 LEU 57 - HA LYS 90 far 0 98 0 - 8.5-9.0 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 2.4-2.5 3.0=100 HB2 LYS 90 + HA LYS 90 OK 90 90 100 100 3.0-3.0 3.0=100 HB ILE 93 + HA LYS 90 OK 69 75 100 92 2.8-3.1 3.2/9947=44, 4129=34...(13) HB2 GLU 88 - HA LYS 90 far 0 85 0 - 7.4-7.6 HB3 LEU 57 - HA LYS 90 far 0 99 0 - 8.5-9.0 HB VAL 5 - HA LYS 90 far 0 82 0 - 8.5-9.3 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 2.5-2.7 4.0=74, 1.8/3916=65...(32) Violated in 0 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 3.0-3.2 4.0=93, 1.8/3915=81...(35) HD3 LYS 94 - HA LYS 90 far 0 97 0 - 5.0-8.5 HG2 LYS 24 - HA LYS 90 far 0 100 0 - 8.2-10.6 HG2 ARG 19 - HA LYS 90 far 0 100 0 - 9.2-10.5 HB3 LEU 29 - HA LYS 90 far 0 98 0 - 9.3-10.0 HG LEU 27 - HA LYS 90 far 0 97 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 3917 from cnoeabs.peaks (1.74, 3.67, 60.35 ppm; 4.54 A increased from 4.04 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 90 + HA LYS 90 OK 100 100 100 100 4.3-4.5 2.9/3915=81, 3969=78...(45) HG3 ARG 19 - HA LYS 90 far 0 91 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 3918 from cnoeabs.peaks (1.70, 3.67, 60.35 ppm; 4.82 A increased from 4.29 A): 1 out of 8 assignments used, quality = 1.00: * HD3 LYS 90 + HA LYS 90 OK 100 100 100 100 4.6-4.8 3981/3.0=88, 2.9/3915=87...(42) HB3 ARG 91 - HA LYS 90 far 0 97 0 - 5.7-5.9 HG3 LYS 20 - HA LYS 90 far 0 90 0 - 6.6-9.8 HD3 LYS 24 - HA LYS 90 far 0 100 0 - 7.0-10.3 HD3 LYS 20 - HA LYS 90 far 0 90 0 - 7.4-10.3 HD2 LYS 24 - HA LYS 90 far 0 100 0 - 7.7-10.6 HD2 LYS 20 - HA LYS 90 far 0 93 0 - 8.0-10.4 HG2 PRO 86 - HA LYS 90 far 0 100 0 - 8.4-9.6 Violated in 1 structures by 0.00 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 2.0-2.7 8546=73, 3.0/9948=57...(21) ! HE3 LYS 90 - HA LYS 90 far 0 100 0 - 4.7-5.8 HE3 LYS 94 - HA LYS 90 far 0 85 0 - 6.8-9.4 HE2 LYS 20 - HA LYS 90 far 0 87 0 - 6.9-11.3 HE2 LYS 94 - HA LYS 90 far 0 96 0 - 7.0-9.7 HE3 LYS 24 - HA LYS 90 far 0 84 0 - 7.1-11.2 HE2 LYS 24 - HA LYS 90 far 0 84 0 - 7.6-11.7 HE3 LYS 20 - HA LYS 90 far 0 88 0 - 7.8-11.3 Violated in 0 structures by 0.00 A. Peak 3921 from cnoeabs.peaks (7.47, 3.67, 60.35 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 91 + HA LYS 90 OK 100 100 100 100 3.5-3.6 3.6=100 HE3 TRP 92 - HA LYS 90 far 0 59 0 - 8.5-8.9 Violated in 0 structures by 0.00 A. Peak 3922 from cnoeabs.peaks (8.36, 3.67, 60.35 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 93 + HA LYS 90 OK 100 100 100 100 3.3-3.7 7479=99, 7493/4129=66...(12) H GLU 95 - HA LYS 90 far 0 100 0 - 6.2-6.8 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 3.0-3.0 3.0=100 * HB ILE 93 + HA LYS 90 OK 93 100 100 93 2.8-3.1 4129=44, 3.2/9947=40...(13) HB3 LYS 90 + HA LYS 90 OK 75 75 100 100 2.4-2.5 3.0=100 HB2 GLU 88 - HA LYS 90 far 0 100 0 - 7.4-7.6 HB3 LEU 57 - HA LYS 90 far 0 91 0 - 8.5-9.0 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 6 assignments used, quality = 1.00: * H LYS 90 + HB2 LYS 90 OK 100 100 100 100 2.5-2.7 7417=100, 7419/2.8=56...(14) H LYS 90 + HB3 LYS 90 OK 78 78 100 100 3.6-3.6 7417/1.8=81, 4.1=60...(13) H LYS 39 + HB2 LYS 39 OK 51 52 100 98 2.2-2.5 4.0=62, 6605/1.8=39...(19) H GLU 17 - HB3 LYS 90 far 0 70 0 - 8.0-8.7 H GLU 17 - HB2 LYS 90 far 0 95 0 - 8.1-8.9 H GLU 75 - HB2 LYS 68 far 0 43 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 3925 from cnoeabs.peaks (3.67, 1.81, 32.09 ppm; 3.74 A): 2 out of 9 assignments used, quality = 1.00: * HA LYS 90 + HB2 LYS 90 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 90 + HB3 LYS 90 OK 78 78 100 100 2.4-2.5 3.0=100 HB THR 80 - HB2 LYS 68 far 9 63 15 - 3.8-5.3 HA GLU 88 - HB2 LYS 90 far 0 99 0 - 5.1-5.4 HA GLU 37 - HB2 LYS 39 far 0 49 0 - 5.3-6.3 HA GLU 88 - HB3 LYS 90 far 0 75 0 - 6.7-7.0 HA LEU 42 - HB2 LYS 39 far 0 56 0 - 7.8-8.0 HA LEU 14 - HB2 LYS 90 far 0 98 0 - 8.1-8.8 HA LEU 14 - HB3 LYS 90 far 0 73 0 - 8.8-9.4 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 2.7-2.8 2.8=100 HG2 LYS 90 + HB3 LYS 90 OK 78 78 100 100 2.9-2.9 2.8=100 HB3 LEU 42 - HB2 LYS 39 far 0 84 0 - 6.5-7.0 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 11 assignments used, quality = 1.00: * HG3 LYS 90 + HB2 LYS 90 OK 100 100 100 100 2.9-2.9 2.8=100 HG3 LYS 90 + HB3 LYS 90 OK 78 78 100 100 2.2-2.2 2.8=100 HD3 LYS 94 - HB3 LYS 90 far 0 72 0 - 4.1-7.7 HD3 LYS 94 - HB2 LYS 90 far 0 97 0 - 4.4-8.6 HG3 LYS 73 - HB2 LYS 39 far 0 85 0 - 7.3-11.4 HG2 LYS 24 - HB3 LYS 90 far 0 78 0 - 7.6-9.9 HD2 LYS 66 - HB2 LYS 39 far 0 83 0 - 8.0-12.3 HG3 LYS 73 - HB2 LYS 68 far 0 60 0 - 8.2-9.6 HB2 ARG 79 - HB2 LYS 68 far 0 59 0 - 8.3-9.4 HG2 LYS 24 - HB2 LYS 90 far 0 100 0 - 9.3-11.7 HD2 LYS 66 - HB2 LYS 68 far 0 58 0 - 10.0-10.8 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 9 assignments used, quality = 1.00: * HD2 LYS 90 + HB2 LYS 90 OK 100 100 100 100 2.0-2.5 3.6=73, 1.8/3981=65...(51) HD2 LYS 90 + HB3 LYS 90 OK 74 78 95 100 3.0-3.6 3.6=73, ~3981=41...(49) HB3 LEU 70 - HB2 LYS 39 far 0 74 0 - 3.8-5.6 HB ILE 56 - HB2 LYS 68 far 0 51 0 - 6.5-7.0 HB2 LYS 66 - HB2 LYS 39 far 0 69 0 - 7.1-9.2 HD3 LYS 66 - HB2 LYS 39 far 0 50 0 - 8.6-11.7 HB3 LEU 70 - HB2 LYS 68 far 0 51 0 - 8.7-9.0 HD3 LYS 66 - HB2 LYS 68 far 0 33 0 - 8.8-9.2 HB2 LYS 66 - HB2 LYS 68 far 0 47 0 - 8.9-9.1 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 26 assignments used, quality = 1.00: * HD3 LYS 90 + HB2 LYS 90 OK 100 100 100 100 2.5-3.4 3.6=100 HD3 LYS 90 + HB3 LYS 90 OK 74 78 95 100 2.9-4.1 3.6=100 HB3 LEU 70 - HB2 LYS 39 far 8 80 10 - 3.8-5.6 HB3 ARG 91 - HB2 LYS 90 far 0 97 0 - 4.4-4.8 HB3 LYS 40 - HB2 LYS 39 far 0 86 0 - 4.6-6.6 HG LEU 70 - HB2 LYS 39 far 0 91 0 - 5.0-7.3 HB3 ARG 91 - HB3 LYS 90 far 0 72 0 - 5.6-6.0 HG3 LYS 20 - HB3 LYS 90 far 0 64 0 - 6.2-9.8 HD3 LYS 24 - HB3 LYS 90 far 0 78 0 - 6.5-9.8 HG2 PRO 86 - HB2 LYS 90 far 0 100 0 - 6.6-8.3 HD2 LYS 24 - HB3 LYS 90 far 0 78 0 - 6.9-10.3 HD3 LYS 20 - HB3 LYS 90 far 0 64 0 - 6.9-10.2 HD2 LYS 73 - HB2 LYS 39 far 0 66 0 - 7.1-11.0 HG3 LYS 20 - HB2 LYS 90 far 0 90 0 - 7.5-10.8 HD3 LYS 20 - HB2 LYS 90 far 0 90 0 - 7.8-11.0 HG2 PRO 86 - HB3 LYS 90 far 0 78 0 - 7.9-9.4 HD2 LYS 20 - HB3 LYS 90 far 0 68 0 - 7.9-10.2 HG LEU 70 - HB2 LYS 68 far 0 66 0 - 8.1-8.8 HD3 LYS 24 - HB2 LYS 90 far 0 100 0 - 8.2-11.5 HD3 LYS 66 - HB2 LYS 39 far 0 90 0 - 8.6-11.7 HD2 LYS 20 - HB2 LYS 90 far 0 93 0 - 8.6-11.0 HD2 LYS 24 - HB2 LYS 90 far 0 100 0 - 8.6-12.1 HD3 LYS 73 - HB2 LYS 39 far 0 63 0 - 8.6-11.6 HB3 LEU 70 - HB2 LYS 68 far 0 56 0 - 8.7-9.0 HD3 LYS 66 - HB2 LYS 68 far 0 65 0 - 8.8-9.2 HD2 LYS 73 - HB2 LYS 68 far 0 45 0 - 9.9-11.8 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 3.3-4.4 4.8=100 HE2 LYS 90 + HB3 LYS 90 OK 78 78 100 100 3.0-4.9 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 24 assignments used, quality = 1.00: HG2 MET 21 + HB2 LYS 90 OK 100 100 100 100 3.6-3.7 3920/3.0=63, 8557/2.8=49...(25) * HE3 LYS 90 + HB2 LYS 90 OK 85 100 85 100 2.9-4.5 3.0/3981=71, 4005/2.8=69...(28) HG2 MET 21 + HB3 LYS 90 OK 78 78 100 100 2.0-2.2 3920/3.0=63, 8557/2.8=49...(24) HE3 LYS 90 + HB3 LYS 90 OK 67 78 85 100 2.6-4.6 4005/2.8=69, 4.8=59...(32) HE3 LYS 68 + HB2 LYS 68 OK 34 46 75 100 2.3-4.6 5.0=53, 4256/2.9=18...(78) HE2 LYS 68 + HB2 LYS 68 OK 26 48 55 100 2.0-4.9 5.0=53, 3.0/3056=14...(78) HE3 LYS 73 - HB2 LYS 39 far 0 88 0 - 5.6-12.8 HE2 LYS 94 - HB2 LYS 90 far 0 96 0 - 5.8-10.1 HE2 LYS 94 - HB3 LYS 90 far 0 71 0 - 6.0-9.1 HE3 LYS 94 - HB3 LYS 90 far 0 60 0 - 6.1-9.0 HE2 LYS 20 - HB3 LYS 90 far 0 62 0 - 6.2-11.7 HE3 LYS 94 - HB2 LYS 90 far 0 85 0 - 6.2-10.0 HE3 LYS 24 - HB3 LYS 90 far 0 59 0 - 6.5-10.9 HE2 LYS 24 - HB3 LYS 90 far 0 59 0 - 6.6-11.3 HE2 LYS 73 - HB2 LYS 39 far 0 84 0 - 6.7-13.3 HE2 LYS 20 - HB2 LYS 90 far 0 87 0 - 6.8-12.5 HE3 LYS 20 - HB3 LYS 90 far 0 63 0 - 7.3-11.2 HE3 LYS 66 - HB2 LYS 39 far 0 56 0 - 7.7-12.9 HE3 LYS 20 - HB2 LYS 90 far 0 88 0 - 8.1-12.1 HE3 LYS 24 - HB2 LYS 90 far 0 84 0 - 8.2-12.6 HE3 LYS 66 - HB2 LYS 68 far 0 37 0 - 8.2-11.9 HE2 LYS 24 - HB2 LYS 90 far 0 84 0 - 8.4-13.0 HE3 LYS 73 - HB2 LYS 68 far 0 63 0 - 9.1-12.6 HE2 LYS 73 - HB2 LYS 68 far 0 59 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 3934 from cnoeabs.peaks (7.47, 1.81, 32.09 ppm; 4.03 A): 3 out of 6 assignments used, quality = 1.00: * H ARG 91 + HB2 LYS 90 OK 100 100 100 100 2.2-2.7 4.1=93, 7431/7417=72...(12) H ARG 91 + HB3 LYS 90 OK 78 78 100 100 3.4-3.8 4.1=93, 7433/1.8=69...(12) HE22 GLN 72 + HB2 LYS 68 OK 35 45 90 88 2.0-4.5 ~9563=24, ~12167=20...(20) HE ARG 46 - HB2 LYS 39 far 0 91 0 - 8.9-12.7 HE3 TRP 92 - HB2 LYS 90 far 0 59 0 - 9.6-10.0 HE3 TRP 92 - HB3 LYS 90 far 0 40 0 - 9.9-10.5 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 6 assignments used, quality = 1.00: * H LYS 90 + HB3 LYS 90 OK 100 100 100 100 3.6-3.6 7417/1.8=81, 4.1=61...(13) H LYS 90 + HB2 LYS 90 OK 78 78 100 100 2.5-2.7 7418=100, 7419/2.8=56...(12) H LYS 39 + HB3 LYS 39 OK 29 31 100 93 2.5-2.9 4.0=62, 6604/1.8=41...(11) H GLU 17 - HB3 LYS 90 far 0 95 0 - 8.0-8.7 H GLU 17 - HB2 LYS 90 far 0 70 0 - 8.1-8.9 H GLU 75 - HB2 LYS 68 far 0 74 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 3936 from cnoeabs.peaks (3.67, 1.83, 32.09 ppm; 3.75 A): 2 out of 10 assignments used, quality = 1.00: * HA LYS 90 + HB3 LYS 90 OK 100 100 100 100 2.4-2.5 3.0=100 HA LYS 90 + HB2 LYS 90 OK 78 78 100 100 3.0-3.0 3.0=100 HB THR 80 - HB2 LYS 68 far 14 97 15 - 3.8-5.3 HA GLU 88 - HB2 LYS 90 far 0 75 0 - 5.1-5.4 HA GLU 37 - HB3 LYS 39 far 0 29 0 - 5.5-6.9 HA GLU 88 - HB3 LYS 90 far 0 99 0 - 6.7-7.0 HA LEU 42 - HB3 LYS 39 far 0 34 0 - 7.6-7.9 HA LEU 14 - HB2 LYS 90 far 0 73 0 - 8.1-8.8 HB THR 80 - HB3 LYS 66 far 0 34 0 - 8.6-9.4 HA LEU 14 - HB3 LYS 90 far 0 98 0 - 8.8-9.4 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 2.9-2.9 2.8=100 HG2 LYS 90 + HB2 LYS 90 OK 78 78 100 100 2.7-2.8 2.8=100 HB3 LEU 42 - HB3 LYS 39 far 0 54 0 - 6.1-6.8 Violated in 0 structures by 0.00 A. Peak 3940 from cnoeabs.peaks (1.58, 1.83, 32.09 ppm; 3.39 A): 2 out of 12 assignments used, quality = 1.00: * HG3 LYS 90 + HB3 LYS 90 OK 100 100 100 100 2.2-2.2 2.8=100 HG3 LYS 90 + HB2 LYS 90 OK 78 78 100 100 2.9-2.9 2.8=100 HD2 LYS 66 - HB3 LYS 66 poor 8 31 25 - 3.7-4.2 HD3 LYS 94 - HB3 LYS 90 far 0 97 0 - 4.1-7.7 HD3 LYS 94 - HB2 LYS 90 far 0 72 0 - 4.4-8.6 HG3 LYS 73 - HB3 LYS 39 far 0 55 0 - 6.5-11.6 HD2 LYS 66 - HB3 LYS 39 far 0 53 0 - 7.3-12.5 HG2 LYS 24 - HB3 LYS 90 far 0 100 0 - 7.6-9.9 HG3 LYS 73 - HB2 LYS 68 far 0 94 0 - 8.2-9.6 HB2 ARG 79 - HB2 LYS 68 far 0 93 0 - 8.3-9.4 HG2 LYS 24 - HB2 LYS 90 far 0 78 0 - 9.3-11.7 HD2 LYS 66 - HB2 LYS 68 far 0 92 0 - 10.0-10.8 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 12 assignments used, quality = 0.99: * HD2 LYS 90 + HB3 LYS 90 OK 94 100 95 99 3.0-3.6 3.6=59, ~3981=35...(49) HD2 LYS 90 + HB2 LYS 90 OK 78 78 100 99 2.0-2.5 3.6=59, 1.8/3981=49...(50) 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 5 46 10 - 3.0-5.9 HB ILE 56 - HB2 LYS 68 far 0 83 0 - 6.5-7.0 HB2 LYS 66 - HB3 LYS 39 far 0 43 0 - 6.8-9.7 HB3 LEU 70 - HB3 LYS 66 far 0 27 0 - 7.1-7.6 HD3 LYS 66 - HB3 LYS 39 far 0 30 0 - 8.3-11.9 HB ILE 56 - HB3 LYS 66 far 0 27 0 - 8.6-9.0 HB3 LEU 70 - HB2 LYS 68 far 0 83 0 - 8.7-9.0 HD3 LYS 66 - HB2 LYS 68 far 0 58 0 - 8.8-9.2 HB2 LYS 66 - HB2 LYS 68 far 0 79 0 - 8.9-9.1 Violated in 0 structures by 0.00 A. Peak 3942 from cnoeabs.peaks (1.70, 1.83, 32.09 ppm; 3.41 A increased from 3.03 A): 2 out of 30 assignments used, quality = 0.84: HD3 LYS 90 + HB2 LYS 90 OK 78 78 100 100 2.5-3.4 3981=84, 7422/7418=41...(45) HD3 LYS 66 + HB3 LYS 66 OK 26 35 75 100 3.5-3.8 3.6=84, 2943/1.8=68...(34) HB3 LEU 70 - HB3 LYS 39 poor 16 51 55 58 3.0-5.9 ~10569=17, ~10822=15...(10) ! HD3 LYS 90 - HB3 LYS 90 far 5 100 5 - 2.9-4.1 HB3 ARG 91 - HB2 LYS 90 far 0 72 0 - 4.4-4.8 HB3 LYS 40 - HB3 LYS 39 far 0 56 0 - 4.5-6.9 HG LEU 70 - HB3 LYS 39 far 0 60 0 - 4.8-7.6 HG LEU 70 - HB3 LYS 66 far 0 36 0 - 4.8-5.5 HB3 ARG 91 - HB3 LYS 90 far 0 97 0 - 5.6-6.0 HD2 LYS 73 - HB3 LYS 39 far 0 41 0 - 6.1-11.3 HG3 LYS 20 - HB3 LYS 90 far 0 90 0 - 6.2-9.8 HD3 LYS 24 - HB3 LYS 90 far 0 100 0 - 6.5-9.8 HG2 PRO 86 - HB2 LYS 90 far 0 78 0 - 6.6-8.3 HD2 LYS 24 - HB3 LYS 90 far 0 100 0 - 6.9-10.3 HD3 LYS 20 - HB3 LYS 90 far 0 90 0 - 6.9-10.2 HB3 LEU 70 - HB3 LYS 66 far 0 30 0 - 7.1-7.6 HG3 LYS 20 - HB2 LYS 90 far 0 64 0 - 7.5-10.8 HD3 LYS 73 - HB3 LYS 39 far 0 38 0 - 7.7-11.6 HD3 LYS 20 - HB2 LYS 90 far 0 64 0 - 7.8-11.0 HG2 PRO 86 - HB3 LYS 90 far 0 100 0 - 7.9-9.4 HD2 LYS 20 - HB3 LYS 90 far 0 93 0 - 7.9-10.2 HG LEU 70 - HB2 LYS 68 far 0 99 0 - 8.1-8.8 HD3 LYS 24 - HB2 LYS 90 far 0 78 0 - 8.2-11.5 HD3 LYS 66 - HB3 LYS 39 far 0 60 0 - 8.3-11.9 HD2 LYS 20 - HB2 LYS 90 far 0 68 0 - 8.6-11.0 HD2 LYS 24 - HB2 LYS 90 far 0 78 0 - 8.6-12.1 HB3 LEU 70 - HB2 LYS 68 far 0 90 0 - 8.7-9.0 HD3 LYS 66 - HB2 LYS 68 far 0 98 0 - 8.8-9.2 HD2 LYS 73 - HB2 LYS 68 far 0 75 0 - 9.9-11.8 HD2 LYS 73 - HB3 LYS 66 far 0 23 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 3943 from cnoeabs.peaks (2.81, 1.83, 32.09 ppm; 5.23 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 90 + HB3 LYS 90 OK 100 100 100 100 3.0-4.9 4.8=100 HE2 LYS 90 + HB2 LYS 90 OK 78 78 100 100 3.3-4.4 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 28 assignments used, quality = 1.00: HG2 MET 21 + HB3 LYS 90 OK 99 100 100 100 2.0-2.2 3920/3.0=58, 8557/2.8=45...(24) HG2 MET 21 + HB2 LYS 90 OK 77 78 100 99 3.6-3.7 3920/3.0=58, 8557/2.8=45...(24) * HE3 LYS 90 + HB3 LYS 90 OK 70 100 70 100 2.6-4.6 4005/2.8=64, 4.8=52...(32) HE3 LYS 68 + HB2 LYS 68 OK 46 77 60 100 2.3-4.6 5.0=47, 3.0/3002=18...(80) HE2 LYS 68 + HB2 LYS 68 OK 44 80 55 100 2.0-4.9 5.0=47, 3.0/3002=18...(80) HE3 LYS 90 + HB2 LYS 90 OK 39 78 50 100 2.9-4.5 4005/2.8=64, 3.0/3981=57...(28) HE2 LYS 94 - HB2 LYS 90 far 0 71 0 - 5.8-10.1 HE2 LYS 73 - HB3 LYS 39 far 0 55 0 - 5.8-12.9 HE2 LYS 94 - HB3 LYS 90 far 0 96 0 - 6.0-9.1 HE3 LYS 94 - HB3 LYS 90 far 0 85 0 - 6.1-9.0 HE2 LYS 20 - HB3 LYS 90 far 0 87 0 - 6.2-11.7 HE3 LYS 94 - HB2 LYS 90 far 0 60 0 - 6.2-10.0 HE3 LYS 73 - HB3 LYS 39 far 0 58 0 - 6.2-13.3 HE3 LYS 24 - HB3 LYS 90 far 0 84 0 - 6.5-10.9 HE2 LYS 24 - HB3 LYS 90 far 0 84 0 - 6.6-11.3 HE2 LYS 20 - HB2 LYS 90 far 0 62 0 - 6.8-12.5 HE3 LYS 66 - HB3 LYS 39 far 0 34 0 - 7.3-12.6 HE3 LYS 20 - HB3 LYS 90 far 0 88 0 - 7.3-11.2 HE3 LYS 68 - HB3 LYS 66 far 0 24 0 - 7.6-10.3 HE2 LYS 68 - HB3 LYS 66 far 0 25 0 - 7.9-10.0 HE3 LYS 20 - HB2 LYS 90 far 0 63 0 - 8.1-12.1 HE3 LYS 24 - HB2 LYS 90 far 0 59 0 - 8.2-12.6 HE3 LYS 66 - HB2 LYS 68 far 0 64 0 - 8.2-11.9 HE2 LYS 24 - HB2 LYS 90 far 0 59 0 - 8.4-13.0 HE2 LYS 73 - HB3 LYS 66 far 0 32 0 - 8.4-12.9 HE3 LYS 73 - HB3 LYS 66 far 0 34 0 - 8.6-12.8 HE3 LYS 73 - HB2 LYS 68 far 0 97 0 - 9.1-12.6 HE2 LYS 73 - HB2 LYS 68 far 0 93 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 3945 from cnoeabs.peaks (7.47, 1.83, 32.09 ppm; 4.14 A): 3 out of 7 assignments used, quality = 1.00: * H ARG 91 + HB3 LYS 90 OK 100 100 100 100 3.4-3.8 4.1=100 H ARG 91 + HB2 LYS 90 OK 78 78 100 100 2.2-2.7 4.1=100 HE22 GLN 72 + HB2 LYS 68 OK 63 75 90 92 2.0-4.5 ~9563=26, ~12167=21...(20) HE ARG 46 - HB3 LYS 39 far 0 61 0 - 8.8-12.4 HE22 GLN 72 - HB3 LYS 66 far 0 23 0 - 9.1-10.9 HE3 TRP 92 - HB2 LYS 90 far 0 40 0 - 9.6-10.0 HE3 TRP 92 - HB3 LYS 90 far 0 59 0 - 9.9-10.5 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 2.0-2.4 7419=100, 7420/1.8=86...(19) H GLU 17 - HG2 LYS 90 far 0 95 0 - 5.6-6.2 H GLU 16 - HG2 LYS 90 far 0 77 0 - 7.9-8.8 H ILE 15 - HG2 LYS 90 far 0 81 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 3947 from cnoeabs.peaks (3.67, 1.29, 25.29 ppm; 4.02 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 90 + HG2 LYS 90 OK 100 100 100 100 2.5-2.7 4.0=100 HA LEU 14 - HG2 LYS 90 far 0 98 0 - 6.0-6.5 HA GLU 88 - HG2 LYS 90 far 0 99 0 - 6.3-6.8 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 2.7-2.8 2.8=100 HB3 LYS 90 + HG2 LYS 90 OK 90 90 100 100 2.9-2.9 2.8=100 HB ILE 93 - HG2 LYS 90 far 0 99 0 - 5.2-5.6 HB2 GLU 88 - HG2 LYS 90 far 0 100 0 - 6.8-7.2 HB3 LEU 57 - HG2 LYS 90 far 0 98 0 - 8.9-9.4 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 6 assignments used, quality = 1.00: * HB3 LYS 90 + HG2 LYS 90 OK 100 100 100 100 2.9-2.9 2.8=100 HB2 LYS 90 + HG2 LYS 90 OK 90 90 100 100 2.7-2.8 2.8=100 HB ILE 93 - HG2 LYS 90 far 0 75 0 - 5.2-5.6 HB2 GLU 88 - HG2 LYS 90 far 0 85 0 - 6.8-7.2 HB3 LEU 57 - HG2 LYS 90 far 0 99 0 - 8.9-9.4 HB VAL 5 - HG2 LYS 90 far 0 82 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 3950 from cnoeabs.peaks (1.29, 1.29, 25.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 90 + HG2 LYS 90 OK 100 100 - 100 Peak 3951 from cnoeabs.peaks (1.58, 1.29, 25.29 ppm; 3.08 A): 1 out of 5 assignments used, quality = 1.00: * HG3 LYS 90 + HG2 LYS 90 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 94 - HG2 LYS 90 far 0 97 0 - 6.7-10.5 HG2 ARG 19 - HG2 LYS 90 far 0 100 0 - 8.5-10.3 HG2 LYS 24 - HG2 LYS 90 far 0 100 0 - 9.0-11.5 HB3 LEU 29 - HG2 LYS 90 far 0 98 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 3952 from cnoeabs.peaks (1.74, 1.29, 25.29 ppm; 3.58 A): 1 out of 5 assignments used, quality = 1.00: * HD2 LYS 90 + HG2 LYS 90 OK 100 100 100 100 2.4-2.8 2.9=100 HG3 ARG 19 - HG2 LYS 90 far 0 91 0 - 8.5-9.3 HB ILE 15 - HG2 LYS 90 far 0 99 0 - 9.5-10.3 HD2 LYS 13 - HG2 LYS 90 far 0 59 0 - 9.6-12.8 HD3 LYS 13 - HG2 LYS 90 far 0 63 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 3953 from cnoeabs.peaks (1.70, 1.29, 25.29 ppm; 3.57 A): 1 out of 12 assignments used, quality = 1.00: * HD3 LYS 90 + HG2 LYS 90 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 20 - HG2 LYS 90 far 0 90 0 - 5.8-8.9 HD3 LYS 20 - HG2 LYS 90 far 0 90 0 - 5.9-8.8 HG2 PRO 86 - HG2 LYS 90 far 0 100 0 - 6.1-7.2 HD2 LYS 20 - HG2 LYS 90 far 0 93 0 - 6.3-8.9 HB3 ARG 91 - HG2 LYS 90 far 0 97 0 - 6.4-6.9 HD3 LYS 24 - HG2 LYS 90 far 0 100 0 - 7.6-10.9 HD2 LYS 24 - HG2 LYS 90 far 0 100 0 - 8.2-11.5 HG12 ILE 15 - HG2 LYS 90 far 0 100 0 - 9.3-10.9 HB ILE 15 - HG2 LYS 90 far 0 71 0 - 9.5-10.3 HD2 LYS 13 - HG2 LYS 90 far 0 100 0 - 9.6-12.8 HD3 LYS 13 - HG2 LYS 90 far 0 100 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 3954 from cnoeabs.peaks (2.81, 1.29, 25.29 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 90 + HG2 LYS 90 OK 100 100 100 100 2.7-4.2 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 9 assignments used, quality = 1.00: * HE3 LYS 90 + HG2 LYS 90 OK 100 100 100 100 3.0-3.7 3.8=100 HG2 MET 21 + HG2 LYS 90 OK 100 100 100 100 2.9-3.7 3920/3915=67...(17) HE2 LYS 20 - HG2 LYS 90 far 0 87 0 - 5.2-10.1 HE3 LYS 20 - HG2 LYS 90 far 0 88 0 - 6.2-10.0 HE3 LYS 24 - HG2 LYS 90 far 0 84 0 - 7.8-12.1 HE2 LYS 94 - HG2 LYS 90 far 0 96 0 - 8.4-11.8 HE2 LYS 24 - HG2 LYS 90 far 0 84 0 - 8.5-12.4 HE3 LYS 94 - HG2 LYS 90 far 0 85 0 - 8.5-11.6 HE3 LYS 13 - HG2 LYS 90 far 0 90 0 - 9.2-14.0 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 1 assignment used, quality = 1.00: * H ARG 91 + HG2 LYS 90 OK 100 100 100 100 4.2-4.5 7435=100, 7431/7419=99...(11) Violated in 0 structures by 0.00 A. Peak 3957 from cnoeabs.peaks (8.05, 1.58, 25.29 ppm; 4.02 A): 1 out of 10 assignments used, quality = 1.00: * H LYS 90 + HG3 LYS 90 OK 100 100 100 100 3.5-3.8 7420=100, 7419/1.8=90...(20) H GLU 75 - HG3 LYS 73 far 0 46 0 - 4.5-5.9 H LYS 13 - HG3 LYS 12 far 0 51 0 - 5.0-5.4 H GLU 17 - HG3 LYS 90 far 0 95 0 - 5.8-6.5 H GLU 16 - HG3 LYS 12 far 0 50 0 - 6.2-7.0 H ILE 15 - HG3 LYS 12 far 0 52 0 - 6.7-7.0 H GLU 16 - HG3 LYS 90 far 0 77 0 - 8.5-9.2 H GLU 17 - HG3 LYS 12 far 0 65 0 - 8.7-9.5 H LYS 39 - HG3 LYS 73 far 0 36 0 - 8.7-12.1 H ILE 15 - HG3 LYS 90 far 0 81 0 - 9.2-9.8 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 3.0-3.2 4.0=100 HA LEU 14 - HG3 LYS 90 far 0 98 0 - 7.0-7.7 HA GLU 88 - HG3 LYS 90 far 0 99 0 - 7.6-7.8 HA LYS 90 - HG2 LYS 24 far 0 79 0 - 8.2-10.6 HA LEU 42 - HG3 LYS 73 far 0 39 0 - 9.6-13.1 HA LEU 14 - HG3 LYS 12 far 0 69 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 3959 from cnoeabs.peaks (1.81, 1.58, 25.29 ppm; 3.55 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LYS 90 + HG3 LYS 90 OK 100 100 100 100 2.9-2.9 2.8=100 HB3 LYS 90 + HG3 LYS 90 OK 90 90 100 100 2.2-2.2 2.8=100 HB ILE 93 - HG3 LYS 90 far 0 99 0 - 5.5-5.9 HB2 LYS 39 - HG3 LYS 73 far 0 63 0 - 7.3-11.4 HB2 LEU 42 - HG3 LYS 73 far 0 68 0 - 7.4-10.9 HB3 LYS 90 - HG2 LYS 24 far 0 65 0 - 7.6-9.9 HG3 ARG 46 - HG3 LYS 73 far 0 52 0 - 8.1-13.1 HB ILE 93 - HG2 LYS 24 far 0 76 0 - 8.2-10.2 HB2 LYS 68 - HG3 LYS 73 far 0 51 0 - 8.2-9.6 HB2 GLU 88 - HG3 LYS 90 far 0 100 0 - 8.4-8.7 HG2 ARG 46 - HG3 LYS 73 far 0 64 0 - 8.6-13.5 HB2 LYS 90 - HG2 LYS 24 far 0 79 0 - 9.3-11.7 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 15 assignments used, quality = 1.00: * HB3 LYS 90 + HG3 LYS 90 OK 100 100 100 100 2.2-2.2 2.8=100 HB2 LYS 90 + HG3 LYS 90 OK 90 90 100 100 2.9-2.9 2.8=100 HB2 LYS 12 + HG3 LYS 12 OK 50 50 100 100 2.4-2.7 3.0=100 HB3 LYS 12 + HG3 LYS 12 OK 47 47 100 100 2.2-2.5 3.0=100 HB ILE 93 - HG3 LYS 90 far 0 75 0 - 5.5-5.9 HB3 LYS 39 - HG3 LYS 73 far 0 48 0 - 6.5-11.6 HB2 LYS 39 - HG3 LYS 73 far 0 38 0 - 7.3-11.4 HB2 LEU 42 - HG3 LYS 73 far 0 50 0 - 7.4-10.9 HB3 LYS 90 - HG2 LYS 24 far 0 79 0 - 7.6-9.9 HB ILE 93 - HG2 LYS 24 far 0 52 0 - 8.2-10.2 HB2 LYS 68 - HG3 LYS 73 far 0 68 0 - 8.2-9.6 HB2 GLU 88 - HG3 LYS 90 far 0 85 0 - 8.4-8.7 HG2 ARG 46 - HG3 LYS 73 far 0 66 0 - 8.6-13.5 HB2 LYS 90 - HG2 LYS 24 far 0 65 0 - 9.3-11.7 HB3 LYS 68 - HG3 LYS 73 far 0 36 0 - 9.4-10.5 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 - 7.0-10.6 HG2 LYS 90 - HG2 LYS 24 far 0 79 0 - 9.0-11.5 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 16 assignments used, quality = 1.00: * HD2 LYS 90 + HG3 LYS 90 OK 100 100 100 100 2.9-3.0 2.9=100 HD2 LYS 12 + HG3 LYS 12 OK 37 37 100 100 2.3-3.0 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 0 53 0 - 4.3-7.0 HB ILE 15 - HG3 LYS 12 far 0 71 0 - 5.3-6.0 HD2 LYS 13 - HG3 LYS 12 far 0 37 0 - 7.0-9.4 HD3 LYS 13 - HG3 LYS 12 far 0 40 0 - 7.0-9.7 HD3 LYS 66 - HG3 LYS 73 far 0 35 0 - 7.9-9.7 HD3 LYS 33 - HG3 LYS 12 far 0 67 0 - 8.2-10.2 HD2 LYS 33 - HG3 LYS 12 far 0 67 0 - 8.9-10.8 HB2 LYS 66 - HG3 LYS 73 far 0 50 0 - 8.9-9.9 HG3 ARG 19 - HG3 LYS 90 far 0 91 0 - 9.0-9.6 HD2 LYS 13 - HG3 LYS 90 far 0 59 0 - 9.6-13.1 HG3 ARG 19 - HG3 LYS 12 far 0 61 0 - 9.6-11.0 HD2 LYS 90 - HG2 LYS 24 far 0 79 0 - 9.7-12.6 HD3 LYS 13 - HG3 LYS 90 far 0 63 0 - 9.9-12.9 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 29 assignments used, quality = 1.00: * HD3 LYS 90 + HG3 LYS 90 OK 100 100 100 100 2.5-2.8 2.9=100 HD3 LYS 24 + HG2 LYS 24 OK 79 79 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 79 79 100 100 2.3-3.0 3.0=100 HD3 LYS 12 + HG3 LYS 12 OK 73 73 100 100 2.5-3.0 3.0=99, 3.0/464=36...(48) HD2 LYS 12 + HG3 LYS 12 OK 73 73 100 100 2.3-3.0 3.0=99, 3.0/464=36...(50) 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 2.3-3.0 3.0=100 HB3 LEU 70 - HG3 LYS 73 far 0 59 0 - 4.3-7.0 HG3 LYS 20 - HG3 LYS 90 far 0 90 0 - 4.6-7.9 HD3 LYS 20 - HG3 LYS 90 far 0 90 0 - 5.0-8.2 HB ILE 15 - HG3 LYS 12 far 0 45 0 - 5.3-6.0 HG LEU 70 - HG3 LYS 73 far 0 69 0 - 5.4-6.8 HG3 LYS 20 - HG2 LYS 24 far 0 65 0 - 5.6-10.8 HD2 LYS 20 - HG3 LYS 90 far 0 93 0 - 5.8-8.1 HD3 LYS 24 - HG3 LYS 90 far 0 100 0 - 6.2-9.4 HD2 LYS 24 - HG3 LYS 90 far 0 100 0 - 6.7-10.1 HG2 PRO 86 - HG3 LYS 90 far 0 100 0 - 6.8-8.0 HD2 LYS 13 - HG3 LYS 12 far 0 73 0 - 7.0-9.4 HD3 LYS 13 - HG3 LYS 12 far 0 73 0 - 7.0-9.7 HB3 ARG 91 - HG3 LYS 90 far 0 97 0 - 7.2-7.5 HD3 LYS 20 - HG2 LYS 24 far 0 65 0 - 7.2-12.3 HG12 ILE 15 - HG3 LYS 12 far 0 73 0 - 7.3-8.1 HD3 LYS 66 - HG3 LYS 73 far 0 68 0 - 7.9-9.7 HD2 LYS 20 - HG2 LYS 24 far 0 68 0 - 8.1-11.6 HD3 LYS 33 - HG3 LYS 12 far 0 52 0 - 8.2-10.2 HD2 LYS 33 - HG3 LYS 12 far 0 52 0 - 8.9-10.8 HD2 LYS 13 - HG3 LYS 90 far 0 100 0 - 9.6-13.1 HD2 LYS 20 - HG3 LYS 12 far 0 63 0 - 9.8-11.8 HD3 LYS 13 - HG3 LYS 90 far 0 100 0 - 9.9-12.9 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 2.1-3.6 3.8=100 HE2 LYS 90 - HG2 LYS 24 far 0 79 0 - 7.7-12.6 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 28 assignments used, quality = 1.00: * HE3 LYS 90 + HG3 LYS 90 OK 100 100 100 100 2.2-2.9 3.8=100 HG2 MET 21 + HG3 LYS 90 OK 100 100 100 100 2.0-2.9 8557/1.8=70...(19) HE3 LYS 73 + HG3 LYS 73 OK 66 66 100 100 2.1-4.2 4.0=100 HE2 LYS 73 + HG3 LYS 73 OK 62 62 100 100 2.1-4.2 4.0=100 HE3 LYS 24 + HG2 LYS 24 OK 59 59 100 100 2.1-3.9 3.7=100 HE2 LYS 24 + HG2 LYS 24 OK 59 59 100 100 2.3-3.8 3.7=100 HE3 LYS 12 + HG3 LYS 12 OK 51 51 100 100 2.2-3.9 4.0=100 HE2 LYS 20 - HG3 LYS 90 far 4 87 5 - 4.1-9.6 HE3 LYS 20 - HG3 LYS 90 far 0 88 0 - 5.3-9.2 HG2 MET 21 - HG2 LYS 24 far 0 78 0 - 5.8-8.5 HE3 LYS 13 - HG3 LYS 12 far 0 60 0 - 6.0-10.1 HE3 LYS 24 - HG3 LYS 90 far 0 84 0 - 6.3-10.6 HE3 LYS 94 - HG2 LYS 24 far 0 61 0 - 6.5-13.1 HE3 LYS 20 - HG2 LYS 24 far 0 63 0 - 6.5-10.8 HE2 LYS 20 - HG2 LYS 24 far 0 62 0 - 7.0-10.6 HE2 LYS 24 - HG3 LYS 90 far 0 84 0 - 7.0-10.9 HE2 LYS 13 - HG3 LYS 12 far 0 58 0 - 7.3-10.3 HE2 LYS 94 - HG2 LYS 24 far 0 71 0 - 7.3-12.8 HE3 LYS 66 - HG3 LYS 73 far 0 39 0 - 8.1-12.0 HE2 LYS 94 - HG3 LYS 90 far 0 96 0 - 8.1-11.2 HE3 LYS 94 - HG3 LYS 90 far 0 85 0 - 8.2-10.9 HE2 LYS 20 - HG3 LYS 12 far 0 58 0 - 8.4-13.5 HB2 ASN 10 - HG3 LYS 12 far 0 72 0 - 8.4-9.8 HE3 LYS 90 - HG2 LYS 24 far 0 79 0 - 9.0-11.8 HE2 LYS 68 - HG3 LYS 73 far 0 51 0 - 9.1-12.5 HE3 LYS 13 - HG3 LYS 90 far 0 90 0 - 9.3-14.3 HE3 LYS 68 - HG3 LYS 73 far 0 48 0 - 9.3-12.3 HE3 LYS 20 - HG3 LYS 12 far 0 59 0 - 9.6-14.7 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 5 assignments used, quality = 1.00: * H ARG 91 + HG3 LYS 90 OK 100 100 100 100 4.9-5.2 7435/1.8=99...(13) HE22 GLN 72 - HG3 LYS 73 far 7 47 15 - 5.2-9.1 HD22 ASN 26 - HG2 LYS 24 far 4 79 5 - 5.2-10.2 HE ARG 46 - HG3 LYS 73 far 0 69 0 - 7.3-12.3 HE ARG 19 - HG3 LYS 12 far 0 64 0 - 7.6-12.5 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 2.8-3.4 7421=100, 7422/1.8=89...(15) H GLU 17 - HD2 LYS 90 far 0 95 0 - 7.0-7.9 H GLU 16 - HD2 LYS 90 far 0 77 0 - 9.5-10.6 H ILE 15 - HD2 LYS 90 far 0 81 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 3969 from cnoeabs.peaks (3.67, 1.74, 29.44 ppm; 4.93 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 90 + HD2 LYS 90 OK 100 100 100 100 4.3-4.5 3917=100, 3915/2.9=89...(45) HA GLU 88 - HD2 LYS 90 far 0 99 0 - 5.5-5.8 HA LEU 14 - HD2 LYS 90 far 0 98 0 - 6.7-7.8 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 4 assignments used, quality = 1.00: * HB2 LYS 90 + HD2 LYS 90 OK 100 100 100 100 2.0-2.5 3.6=84, 7417/7421=41...(49) HB3 LYS 90 + HD2 LYS 90 OK 89 90 100 100 3.0-3.6 3.6=84, 1.8/3930=43...(45) HB2 GLU 88 - HD2 LYS 90 far 0 100 0 - 6.6-7.1 HB ILE 93 - HD2 LYS 90 far 0 99 0 - 7.1-7.5 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 4 assignments used, quality = 1.00: * HB3 LYS 90 + HD2 LYS 90 OK 100 100 100 100 3.0-3.6 3.6=100 HB2 LYS 90 + HD2 LYS 90 OK 90 90 100 100 2.0-2.5 3.6=100 HB2 GLU 88 - HD2 LYS 90 far 0 85 0 - 6.6-7.1 HB ILE 93 - HD2 LYS 90 far 0 75 0 - 7.1-7.5 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 2.4-2.8 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 3 assignments used, quality = 1.00: * HG3 LYS 90 + HD2 LYS 90 OK 100 100 100 100 2.9-3.0 2.9=100 HD3 LYS 94 - HD2 LYS 90 far 0 97 0 - 6.4-10.3 HG2 LYS 24 - HD2 LYS 90 far 0 100 0 - 9.7-12.6 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 10 assignments used, quality = 1.00: * HD3 LYS 90 + HD2 LYS 90 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 PRO 86 - HD2 LYS 90 far 0 100 0 - 4.8-6.7 HB3 ARG 91 - HD2 LYS 90 far 0 97 0 - 5.7-6.1 HD3 LYS 20 - HD2 LYS 90 far 0 90 0 - 7.0-10.7 HG3 LYS 20 - HD2 LYS 90 far 0 90 0 - 7.3-10.4 HD2 LYS 20 - HD2 LYS 90 far 0 93 0 - 7.8-10.2 HD3 LYS 24 - HD2 LYS 90 far 0 100 0 - 9.0-11.7 HD2 LYS 24 - HD2 LYS 90 far 0 100 0 - 9.1-12.5 HD2 LYS 13 - HD2 LYS 90 far 0 100 0 - 9.4-12.6 HD3 LYS 13 - HD2 LYS 90 far 0 100 0 - 10.0-12.8 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 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3977 from cnoeabs.peaks (2.94, 1.74, 29.44 ppm; 3.75 A): 1 out of 10 assignments used, quality = 1.00: * HE3 LYS 90 + HD2 LYS 90 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 MET 21 - HD2 LYS 90 far 0 100 0 - 4.4-5.1 HE2 LYS 20 - HD2 LYS 90 far 0 87 0 - 6.0-11.8 HE3 LYS 20 - HD2 LYS 90 far 0 88 0 - 7.3-11.3 HE2 LYS 94 - HD2 LYS 90 far 0 96 0 - 7.4-11.9 HE3 LYS 94 - HD2 LYS 90 far 0 85 0 - 8.0-11.8 HE3 LYS 13 - HD2 LYS 90 far 0 90 0 - 8.8-13.4 HE3 LYS 24 - HD2 LYS 90 far 0 84 0 - 9.0-12.8 HE2 LYS 24 - HD2 LYS 90 far 0 84 0 - 9.4-13.4 HE2 LYS 13 - HD2 LYS 90 far 0 87 0 - 9.9-13.5 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 1 assignment used, quality = 1.00: * H ARG 91 + HD2 LYS 90 OK 100 100 100 100 3.8-4.1 7437=100, 7431/7421=77...(8) 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 31 assignments used, quality = 0.99: * H LYS 90 + HD3 LYS 90 OK 95 100 95 100 3.2-4.1 7422=76, 7421/1.8=63...(19) H ILE 15 + HG12 ILE 15 OK 80 80 100 100 2.2-4.0 6217/2.9=53, 4.6=51...(17) H GLU 17 + HD2 LYS 20 OK 31 59 70 76 3.4-5.0 6250/12058=45...(19) H GLU 17 - HD3 LYS 20 far 0 54 0 - 4.1-6.1 H GLU 16 - HD3 LYS 12 far 0 44 0 - 4.2-7.5 H GLU 16 - HG12 ILE 15 far 0 77 0 - 4.2-5.1 H LYS 13 - HD3 LYS 12 far 0 46 0 - 4.5-5.6 H LYS 13 - HD2 LYS 12 far 0 46 0 - 4.7-6.6 H ARG 46 - HD2 LYS 47 far 0 67 0 - 4.7-7.0 H LYS 90 - HB3 ARG 91 far 0 86 0 - 4.8-5.0 H ARG 46 - HD3 LYS 47 far 0 69 0 - 4.8-6.4 H GLU 16 - HD2 LYS 12 far 0 44 0 - 4.9-7.1 H ILE 15 - HD3 LYS 12 far 0 47 0 - 5.0-6.8 H GLU 16 - HD2 LYS 20 far 0 45 0 - 5.1-6.3 H GLU 17 - HD3 LYS 90 far 0 95 0 - 5.3-7.9 H ILE 15 - HD2 LYS 12 far 0 47 0 - 5.3-7.0 H LYS 13 - HG12 ILE 15 far 0 78 0 - 5.5-7.2 H GLU 16 - HD3 LYS 20 far 0 40 0 - 5.7-7.5 H GLU 17 - HG12 ILE 15 far 0 94 0 - 6.2-7.3 H GLU 17 - HD3 LYS 12 far 0 59 0 - 7.0-10.0 H ILE 15 - HD2 LYS 20 far 0 47 0 - 7.4-8.6 H GLU 17 - HD2 LYS 12 far 0 59 0 - 7.5-9.9 H GLU 16 - HD3 LYS 90 far 0 77 0 - 7.8-10.7 H LYS 90 - HD3 LYS 20 far 0 61 0 - 8.0-10.9 H ILE 15 - HD3 LYS 90 far 0 81 0 - 8.0-11.0 H ILE 15 - HD3 LYS 20 far 0 42 0 - 8.2-10.0 H LYS 90 - HD2 LYS 20 far 0 67 0 - 8.5-10.9 H LYS 13 - HD2 LYS 20 far 0 46 0 - 8.6-9.8 H LYS 13 - HD3 LYS 20 far 0 41 0 - 9.2-11.1 H LYS 90 - HG12 ILE 15 far 0 100 0 - 9.8-11.3 H LYS 13 - HD3 LYS 90 far 0 79 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 3980 from cnoeabs.peaks (3.67, 1.70, 29.44 ppm; 4.60 A): 2 out of 14 assignments used, quality = 1.00: * HA LYS 90 + HD3 LYS 90 OK 100 100 100 100 4.6-4.8 3918=87, 3.0/3981=84...(42) HA GLU 88 + HB3 ARG 91 OK 83 83 100 100 2.6-2.9 4024/1.8=86, 3871=70...(13) HA LEU 14 - HG12 ILE 15 far 0 97 0 - 5.1-7.0 HA LEU 14 - HD3 LYS 90 far 0 98 0 - 5.2-8.1 HA LYS 90 - HB3 ARG 91 far 0 86 0 - 5.7-5.9 HA GLU 88 - HD3 LYS 90 far 0 99 0 - 6.1-7.2 HA LEU 14 - HD2 LYS 20 far 0 62 0 - 7.1-8.8 HA LEU 14 - HD3 LYS 20 far 0 57 0 - 7.3-9.7 HA LYS 90 - HD3 LYS 20 far 0 61 0 - 7.4-10.3 HA LYS 90 - HD2 LYS 20 far 0 67 0 - 8.0-10.4 HA LEU 14 - HD3 LYS 12 far 0 62 0 - 8.3-9.5 HA LEU 42 - HD3 LYS 47 far 0 50 0 - 8.4-9.5 HA LEU 14 - HD2 LYS 12 far 0 62 0 - 8.5-10.2 HA LEU 42 - HD2 LYS 47 far 0 49 0 - 8.5-10.3 Violated in 0 structures by 0.00 A. Peak 3981 from cnoeabs.peaks (1.81, 1.70, 29.44 ppm; 3.43 A increased from 3.23 A): 1 out of 22 assignments used, quality = 1.00: * HB2 LYS 90 + HD3 LYS 90 OK 100 100 100 100 2.5-3.4 3.6=85, 3930/1.8=43...(47) HB3 LYS 90 - HD3 LYS 90 far 4 90 5 - 2.9-4.1 HG2 ARG 46 - HD2 LYS 47 far 0 78 0 - 3.9-9.4 HB2 LYS 90 - HB3 ARG 91 far 0 86 0 - 4.4-4.8 HG2 ARG 46 - HD3 LYS 47 far 0 79 0 - 4.9-9.2 HG3 ARG 46 - HD2 LYS 47 far 0 64 0 - 5.2-9.5 HB2 GLU 88 - HB3 ARG 91 far 0 85 0 - 5.2-5.7 HB3 LYS 90 - HB3 ARG 91 far 0 71 0 - 5.6-6.0 HG3 ARG 46 - HD3 LYS 47 far 0 66 0 - 6.3-9.2 HB2 GLU 88 - HD3 LYS 90 far 0 100 0 - 6.6-8.2 HB3 LYS 90 - HD3 LYS 20 far 0 49 0 - 6.9-10.2 HB ILE 93 - HB3 ARG 91 far 0 83 0 - 6.9-7.3 HB ILE 93 - HD3 LYS 90 far 0 99 0 - 7.4-7.8 HB3 LEU 57 - HG12 ILE 15 far 0 98 0 - 7.6-8.7 HB2 LYS 90 - HD3 LYS 20 far 0 61 0 - 7.8-11.0 HB3 LYS 90 - HD2 LYS 20 far 0 54 0 - 7.9-10.2 HB2 LYS 90 - HD2 LYS 20 far 0 67 0 - 8.6-11.0 HB ILE 93 - HD3 LYS 20 far 0 59 0 - 9.2-11.6 HB2 LEU 42 - HD3 LYS 47 far 0 84 0 - 9.2-11.0 HB2 LEU 42 - HD2 LYS 47 far 0 82 0 - 9.7-11.6 HB ILE 93 - HD2 LYS 20 far 0 65 0 - 9.7-11.9 HB3 LEU 57 - HB3 ARG 91 far 0 81 0 - 9.9-10.5 Violated in 1 structures by 0.00 A. Peak 3982 from cnoeabs.peaks (1.83, 1.70, 29.44 ppm; 3.37 A increased from 3.00 A): 5 out of 30 assignments used, quality = 0.98: HB2 LYS 90 + HD3 LYS 90 OK 89 90 100 100 2.5-3.4 3.6=81, 7418/7422=40...(46) HB3 LYS 12 + HD2 LYS 12 OK 36 42 85 100 3.1-4.1 3.6=83, ~384=18, ~463=18...(72) HB2 LYS 12 + HD3 LYS 12 OK 36 44 80 100 2.1-3.7 3.6=83, 3.0/386=20...(68) HB3 LYS 12 + HD3 LYS 12 OK 29 42 70 100 2.4-3.9 3.6=83, 3.0/386=20...(72) HB2 LYS 12 + HD2 LYS 12 OK 22 44 50 100 2.2-4.2 3.6=83, ~384=18, ~463=18...(71) ! HB3 LYS 90 - HD3 LYS 90 far 5 100 5 - 2.9-4.1 HG2 ARG 46 - HD2 LYS 47 far 0 80 0 - 3.9-9.4 HB2 LYS 90 - HB3 ARG 91 far 0 71 0 - 4.4-4.8 HG2 ARG 46 - HD3 LYS 47 far 0 82 0 - 4.9-9.2 HB2 GLU 88 - HB3 ARG 91 far 0 67 0 - 5.2-5.7 HB3 LYS 90 - HB3 ARG 91 far 0 86 0 - 5.6-6.0 HB2 LYS 12 - HG12 ILE 15 far 0 77 0 - 6.4-7.5 HB3 LYS 12 - HG12 ILE 15 far 0 73 0 - 6.6-7.9 HB2 GLU 88 - HD3 LYS 90 far 0 85 0 - 6.6-8.2 HB3 LYS 90 - HD3 LYS 20 far 0 61 0 - 6.9-10.2 HB ILE 93 - HB3 ARG 91 far 0 58 0 - 6.9-7.3 HB ILE 93 - HD3 LYS 90 far 0 75 0 - 7.4-7.8 HB3 LEU 57 - HG12 ILE 15 far 0 99 0 - 7.6-8.7 HB2 LYS 12 - HD2 LYS 20 far 0 45 0 - 7.7-9.3 HB2 LYS 90 - HD3 LYS 20 far 0 49 0 - 7.8-11.0 HB3 LYS 90 - HD2 LYS 20 far 0 67 0 - 7.9-10.2 HB2 LYS 12 - HD3 LYS 20 far 0 40 0 - 8.1-10.2 HB2 LYS 90 - HD2 LYS 20 far 0 54 0 - 8.6-11.0 HB ILE 93 - HD3 LYS 20 far 0 39 0 - 9.2-11.6 HB3 LYS 12 - HD2 LYS 20 far 0 42 0 - 9.2-10.8 HB2 LEU 42 - HD3 LYS 47 far 0 63 0 - 9.2-11.0 HB3 LYS 12 - HD3 LYS 20 far 0 38 0 - 9.7-11.8 HB2 LEU 42 - HD2 LYS 47 far 0 61 0 - 9.7-11.6 HB ILE 93 - HD2 LYS 20 far 0 43 0 - 9.7-11.9 HB3 LEU 57 - HB3 ARG 91 far 0 83 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 3983 from cnoeabs.peaks (1.29, 1.70, 29.44 ppm; 3.79 A): 1 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 - HD3 LYS 20 far 0 61 0 - 5.9-8.8 HG2 LYS 90 - HD2 LYS 20 far 0 67 0 - 6.3-8.9 HG2 LYS 90 - HB3 ARG 91 far 0 86 0 - 6.4-6.9 HB3 LEU 42 - HD3 LYS 47 far 0 77 0 - 8.7-10.5 HB3 LEU 42 - HD2 LYS 47 far 0 75 0 - 8.9-11.1 HG2 LYS 90 - HG12 ILE 15 far 0 100 0 - 9.3-10.9 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 27 assignments used, quality = 1.00: * HG3 LYS 90 + HD3 LYS 90 OK 98 100 100 98 2.5-2.8 2.9=82, 2.8/3942=23...(27) HG3 LYS 12 + HD3 LYS 12 OK 63 64 100 99 2.5-3.0 3.0=79, 464/3.0=30...(47) HG3 LYS 12 + HD2 LYS 12 OK 63 64 100 98 2.3-3.0 3.0=79, 464/3.0=30...(47) HG3 LYS 47 + HD3 LYS 47 OK 44 45 100 98 2.4-3.0 3.0=80, 1.8/2164=13...(83) HG3 LYS 47 + HD2 LYS 47 OK 43 44 100 98 2.4-2.7 3.0=80, ~3267=7, ~3266=7...(87) HG2 ARG 19 - HD3 LYS 20 far 0 61 0 - 4.4-9.2 HD3 LYS 94 - HB3 ARG 91 far 0 80 0 - 4.7-8.2 HG3 LYS 90 - HD3 LYS 20 far 0 61 0 - 5.0-8.2 HG2 ARG 19 - HG12 ILE 15 far 0 100 0 - 5.2-7.2 HG2 ARG 19 - HD2 LYS 20 far 0 67 0 - 5.2-8.4 HG2 ARG 19 - HD3 LYS 12 far 0 67 0 - 5.6-11.5 HG3 LYS 90 - HD2 LYS 20 far 0 67 0 - 5.8-8.1 HD3 LYS 94 - HD3 LYS 90 far 0 97 0 - 6.2-11.7 HG2 ARG 19 - HD2 LYS 12 far 0 67 0 - 6.7-10.0 HG3 LYS 90 - HB3 ARG 91 far 0 86 0 - 7.2-7.5 HG2 LYS 24 - HD3 LYS 20 far 0 61 0 - 7.2-12.3 HG3 LYS 12 - HG12 ILE 15 far 0 99 0 - 7.3-8.1 HB3 LEU 29 - HD3 LYS 20 far 0 57 0 - 7.9-11.2 HG2 LYS 33 - HG12 ILE 15 far 0 65 0 - 7.9-9.8 HG2 LYS 24 - HD2 LYS 20 far 0 67 0 - 8.1-11.6 HG2 LYS 33 - HD2 LYS 12 far 0 37 0 - 8.8-11.8 HB2 ARG 30 - HG12 ILE 15 far 0 92 0 - 9.1-11.2 HB3 LEU 29 - HD2 LYS 20 far 0 63 0 - 9.1-10.9 HB3 LEU 29 - HG12 ILE 15 far 0 98 0 - 9.4-10.8 HG2 LYS 33 - HD3 LYS 12 far 0 37 0 - 9.4-11.5 HG2 ARG 19 - HD3 LYS 90 far 0 100 0 - 9.5-11.7 HG3 LYS 12 - HD2 LYS 20 far 0 64 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 3985 from cnoeabs.peaks (1.74, 1.70, 29.44 ppm; 2.40 A): 3 out of 44 assignments used, quality = 1.00: * HD2 LYS 90 + HD3 LYS 90 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 LYS 12 + HD3 LYS 12 OK 33 33 100 100 1.8-1.8 1.8=100 HD3 LYS 12 + HD2 LYS 12 OK 33 33 100 100 1.8-1.8 1.8=100 HB ILE 15 - HG12 ILE 15 far 5 99 5 - 2.6-3.0 HB ILE 15 - HD3 LYS 12 far 0 64 0 - 3.0-6.1 HB ILE 15 - HD2 LYS 12 far 0 64 0 - 4.1-5.6 HD3 LYS 12 - HG12 ILE 15 far 0 59 0 - 4.9-7.5 HD2 LYS 12 - HG12 ILE 15 far 0 59 0 - 5.1-8.1 HG3 ARG 19 - HD3 LYS 20 far 0 50 0 - 5.4-9.0 HG3 ARG 19 - HG12 ILE 15 far 0 90 0 - 5.4-6.5 HD2 LYS 90 - HB3 ARG 91 far 0 86 0 - 5.7-6.1 HG3 ARG 19 - HD2 LYS 20 far 0 55 0 - 5.8-8.1 HD3 LYS 33 - HD2 LYS 12 far 0 61 0 - 6.1-10.7 HD2 LYS 13 - HD2 LYS 20 far 0 33 0 - 6.6-10.7 HD3 LYS 33 - HG12 ILE 15 far 0 96 0 - 6.7-9.5 HG3 ARG 19 - HD3 LYS 12 far 0 55 0 - 6.7-11.4 HD3 LYS 33 - HD3 LYS 12 far 0 61 0 - 6.8-10.1 HD2 LYS 13 - HD3 LYS 20 far 0 29 0 - 6.8-11.6 HD3 LYS 13 - HD2 LYS 20 far 0 35 0 - 6.8-10.3 HD2 LYS 13 - HD2 LYS 12 far 0 33 0 - 7.0-10.6 HD3 LYS 13 - HD3 LYS 20 far 0 32 0 - 7.0-11.3 HD2 LYS 90 - HD3 LYS 20 far 0 61 0 - 7.0-10.7 HB ILE 15 - HD2 LYS 20 far 0 64 0 - 7.3-8.5 HD3 LYS 13 - HD3 LYS 12 far 0 35 0 - 7.4-9.9 HB ILE 15 - HD3 LYS 20 far 0 58 0 - 7.4-9.9 HD3 LYS 13 - HD2 LYS 12 far 0 35 0 - 7.5-10.9 HD2 LYS 33 - HD2 LYS 12 far 0 61 0 - 7.6-11.1 HD2 LYS 90 - HD2 LYS 20 far 0 67 0 - 7.8-10.2 HD2 LYS 13 - HD3 LYS 12 far 0 33 0 - 7.8-9.7 HD2 LYS 33 - HG12 ILE 15 far 0 96 0 - 7.9-9.2 HD2 LYS 13 - HD3 LYS 90 far 0 59 0 - 8.0-11.1 HD2 ARG 81 - HB3 ARG 91 far 0 80 0 - 8.0-9.8 HG3 ARG 19 - HD2 LYS 12 far 0 55 0 - 8.1-10.2 HD3 LYS 12 - HD2 LYS 20 far 0 33 0 - 8.1-11.9 HD3 LYS 12 - HD3 LYS 20 far 0 29 0 - 8.2-13.3 HD2 LYS 33 - HD3 LYS 12 far 0 61 0 - 8.3-10.7 HD2 LYS 12 - HD2 LYS 20 far 0 33 0 - 8.4-12.1 HD3 LYS 13 - HD3 LYS 90 far 0 63 0 - 8.5-11.5 HD3 LYS 13 - HG12 ILE 15 far 0 63 0 - 8.5-11.7 HG3 ARG 19 - HD3 LYS 90 far 0 91 0 - 9.2-11.9 HD2 LYS 13 - HG12 ILE 15 far 0 59 0 - 9.3-11.7 HB ILE 15 - HD3 LYS 90 far 0 99 0 - 9.7-12.5 HD2 LYS 12 - HD3 LYS 20 far 0 29 0 - 9.9-13.1 HB2 LEU 2 - HD3 LYS 47 far 0 45 0 - 9.9-12.1 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 4 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 - HD3 LYS 20 far 0 61 0 - 5.0-9.2 HE2 LYS 90 - HD2 LYS 20 far 0 67 0 - 6.7-9.0 HE2 LYS 90 - HB3 ARG 91 far 0 86 0 - 7.6-8.6 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 54 assignments used, quality = 1.00: * HE3 LYS 90 + HD3 LYS 90 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 20 + HD2 LYS 20 OK 53 53 100 100 2.3-3.0 3.0=100 HE2 LYS 20 + HD2 LYS 20 OK 52 52 100 100 2.3-3.0 3.0=100 HE3 LYS 20 + HD3 LYS 20 OK 48 48 100 100 2.2-3.0 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 2.3-3.0 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 2.3-3.0 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 2.3-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 44 44 100 100 2.3-3.0 3.0=100 HG2 MET 21 - HD3 LYS 90 far 0 100 0 - 4.2-5.4 HE3 LYS 90 - HD3 LYS 20 far 0 61 0 - 4.4-8.4 HE3 LYS 94 - HB3 ARG 91 far 0 67 0 - 4.4-10.1 HE3 LYS 12 - HG12 ILE 15 far 0 78 0 - 4.6-8.2 HE2 LYS 20 - HD3 LYS 90 far 0 87 0 - 4.7-10.7 HE2 LYS 94 - HB3 ARG 91 far 0 78 0 - 5.1-10.1 HE3 LYS 90 - HD2 LYS 20 far 0 67 0 - 5.6-8.5 HE3 LYS 24 - HD3 LYS 20 far 0 45 0 - 5.8-12.5 HB2 ASN 10 - HD2 LYS 12 far 0 65 0 - 5.9-11.0 HG2 MET 21 - HD3 LYS 20 far 0 61 0 - 6.0-9.1 HE2 LYS 24 - HD3 LYS 20 far 0 45 0 - 6.1-12.3 HE3 LYS 20 - HD3 LYS 90 far 0 88 0 - 6.2-10.3 HB2 ASN 10 - HD3 LYS 12 far 0 65 0 - 6.4-10.1 HE3 LYS 13 - HD3 LYS 12 far 0 54 0 - 6.5-10.7 HE2 LYS 13 - HD2 LYS 20 far 0 52 0 - 6.5-12.1 HG2 MET 21 - HB3 ARG 91 far 0 85 0 - 6.9-7.5 HE3 LYS 24 - HD2 LYS 20 far 0 50 0 - 6.9-12.0 HG2 MET 21 - HD2 LYS 20 far 0 67 0 - 6.9-9.4 HB2 ASN 10 - HG12 ILE 15 far 0 99 0 - 7.1-8.1 HE3 LYS 13 - HD2 LYS 12 far 0 54 0 - 7.1-11.2 HE2 LYS 13 - HD2 LYS 12 far 0 52 0 - 7.2-12.0 HB3 PHE 45 - HD3 LYS 47 far 0 57 0 - 7.3-9.1 HE3 LYS 90 - HB3 ARG 91 far 0 86 0 - 7.4-8.9 HE3 LYS 13 - HD3 LYS 90 far 0 90 0 - 7.4-13.8 HE2 LYS 13 - HD3 LYS 12 far 0 52 0 - 7.5-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 50 0 - 7.5-11.7 HE2 LYS 13 - HD3 LYS 20 far 0 47 0 - 7.5-13.3 HE3 LYS 13 - HD2 LYS 20 far 0 54 0 - 7.5-11.8 HE3 LYS 13 - HD3 LYS 20 far 0 49 0 - 7.6-13.1 HE3 LYS 12 - HD2 LYS 20 far 0 46 0 - 8.1-13.3 HE3 LYS 94 - HD3 LYS 90 far 0 85 0 - 8.2-13.0 HB3 PHE 45 - HD2 LYS 47 far 0 55 0 - 8.2-9.6 HE3 LYS 12 - HD3 LYS 20 far 0 41 0 - 8.2-14.3 HE2 LYS 13 - HD3 LYS 90 far 0 87 0 - 8.4-13.0 HE2 LYS 20 - HD2 LYS 12 far 0 52 0 - 8.6-14.3 HE3 LYS 24 - HD3 LYS 90 far 0 84 0 - 8.9-13.3 HE2 LYS 94 - HD3 LYS 90 far 0 96 0 - 9.0-13.0 HE2 LYS 20 - HD3 LYS 12 far 0 52 0 - 9.2-14.5 HE3 LYS 20 - HD2 LYS 12 far 0 53 0 - 9.3-14.9 HE2 LYS 20 - HG12 ILE 15 far 0 86 0 - 9.5-12.8 HE3 LYS 20 - HD3 LYS 12 far 0 53 0 - 9.6-14.1 HE2 LYS 24 - HD3 LYS 90 far 0 84 0 - 9.6-13.5 HE3 LYS 13 - HG12 ILE 15 far 0 89 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 3989 from cnoeabs.peaks (7.47, 1.70, 29.44 ppm; 3.65 A): 2 out of 13 assignments used, quality = 0.89: H ARG 91 + HB3 ARG 91 OK 86 86 100 100 2.3-2.5 7438=100, 7442/1.8=88...(17) H LYS 47 + HD3 LYS 47 OK 25 84 30 100 3.7-4.5 6773/3.0=61, 6772/3.0=53...(38) H LYS 47 - HD2 LYS 47 far 12 83 15 - 3.2-4.7 ! H ARG 91 - HD3 LYS 90 far 0 100 0 - 4.6-5.4 HE ARG 19 - HG12 ILE 15 far 0 93 0 - 4.6-8.8 HE ARG 19 - HD3 LYS 12 far 0 58 0 - 5.0-12.7 HE ARG 46 - HD2 LYS 47 far 0 83 0 - 5.1-11.0 HE ARG 19 - HD3 LYS 20 far 0 53 0 - 5.2-10.3 HE ARG 46 - HD3 LYS 47 far 0 84 0 - 5.4-11.1 HE ARG 19 - HD2 LYS 20 far 0 58 0 - 5.8-9.4 HE3 TRP 92 - HB3 ARG 91 far 0 45 0 - 6.0-6.7 HE ARG 19 - HD2 LYS 12 far 0 58 0 - 6.3-11.6 HZ2 TRP 92 - HB3 ARG 91 far 0 72 0 - 6.4-7.4 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 4.1-5.4 7422/3.0=89, 7421/3.0=88...(14) H GLY 101 + HE2 LYS 53 OK 30 69 55 79 4.2-7.9 3.0/12004=25, ~12004=23...(9) H GLY 101 + HE3 LYS 53 OK 22 63 45 78 4.2-7.3 3.0/12004=26, ~12004=22...(9) H SER 102 - HE2 LYS 53 poor 15 80 60 30 2.0-9.4 3.6/12004=23, 3.6/12121=8 H SER 102 - HE3 LYS 53 poor 13 73 55 31 2.8-7.8 3.6/12004=24, 3.6/12119=8 H GLU 17 - HE2 LYS 90 far 5 95 5 - 5.3-7.6 H GLU 16 - HE2 LYS 90 far 0 77 0 - 8.0-10.4 H ILE 15 - HE2 LYS 90 far 0 81 0 - 8.1-10.9 H LYS 13 - HE2 LYS 90 far 0 79 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 3991 from cnoeabs.peaks (3.67, 2.81, 41.80 ppm; 6.46 A increased from 6.08 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 90 + HE2 LYS 90 OK 100 100 100 100 4.9-6.2 6.2=100 HA LEU 14 - HE2 LYS 90 far 10 98 10 - 5.2-8.1 HA GLU 88 - HE2 LYS 90 far 0 99 0 - 7.4-8.6 Violated in 0 structures by 0.00 A. Peak 3992 from cnoeabs.peaks (1.81, 2.81, 41.80 ppm; 3.89 A): 3 out of 10 assignments used, quality = 0.97: * HB2 LYS 90 + HE2 LYS 90 OK 90 100 90 100 3.3-4.4 3981/3.0=67, 4.8=52...(32) HB2 LYS 53 + HE2 LYS 53 OK 48 60 80 100 2.0-4.5 5.0=46, ~2451=43...(39) HB2 LYS 53 + HE3 LYS 53 OK 46 55 85 100 2.0-4.7 5.0=46, ~2451=43...(39) HB3 LYS 90 - HE2 LYS 90 poor 18 90 20 - 3.0-4.9 HB2 GLU 104 - HE2 LYS 53 far 4 85 5 - 4.1-14.1 HB2 GLU 104 - HE3 LYS 53 far 0 78 0 - 5.3-13.2 HB VAL 78 - HE2 LYS 53 far 0 56 0 - 6.3-10.3 HB VAL 78 - HE3 LYS 53 far 0 50 0 - 6.4-11.0 HB ILE 93 - HE2 LYS 90 far 0 99 0 - 7.5-9.1 HB2 GLU 88 - HE2 LYS 90 far 0 100 0 - 7.8-9.4 Violated in 0 structures by 0.00 A. Peak 3993 from cnoeabs.peaks (1.83, 2.81, 41.80 ppm; 4.03 A): 3 out of 10 assignments used, quality = 0.98: HB2 LYS 90 + HE2 LYS 90 OK 80 90 90 100 3.3-4.4 4.8=58, 3981/3.0=55...(32) HB2 LYS 53 + HE2 LYS 53 OK 75 83 90 100 2.0-4.5 5.0=51, ~2451=46...(41) HB2 LYS 53 + HE3 LYS 53 OK 65 77 85 100 2.0-4.7 5.0=51, ~2451=46...(40) ! HB3 LYS 90 - HE2 LYS 90 poor 20 100 20 100 3.0-4.9 4.8=58, ~3981=44...(31) HB2 GLU 104 - HE2 LYS 53 far 3 66 5 - 4.1-14.1 HB3 GLU 104 - HE2 LYS 53 far 0 49 0 - 5.0-15.6 HB2 GLU 104 - HE3 LYS 53 far 0 60 0 - 5.3-13.2 HB3 GLU 104 - HE3 LYS 53 far 0 44 0 - 6.3-14.2 HB ILE 93 - HE2 LYS 90 far 0 75 0 - 7.5-9.1 HB2 GLU 88 - HE2 LYS 90 far 0 85 0 - 7.8-9.4 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 2.7-4.2 3.8=100 HG LEU 3 - HE3 LYS 53 far 0 74 0 - 4.6-7.5 HG LEU 3 - HE2 LYS 53 far 0 81 0 - 5.7-7.5 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 2.1-3.6 3.8=95, ~4005=50...(19) 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 2.4-3.0 3.0=100 HB2 ARG 79 - HE2 LYS 53 far 0 77 0 - 4.2-8.2 HG LEU 103 - HE3 LYS 53 far 0 78 0 - 4.4-12.2 HB2 LEU 103 - HE3 LYS 53 far 0 78 0 - 4.7-12.3 HB2 ARG 79 - HE3 LYS 53 far 0 71 0 - 4.9-8.6 HG LEU 103 - HE2 LYS 53 far 0 85 0 - 5.0-13.7 HB2 LEU 103 - HE2 LYS 53 far 0 85 0 - 5.1-12.9 HB2 LEU 3 - HE3 LYS 53 far 0 52 0 - 7.2-9.8 HG2 LYS 24 - HE2 LYS 90 far 0 100 0 - 7.7-12.6 HD3 LYS 94 - HE2 LYS 90 far 0 97 0 - 7.7-10.8 HB2 LEU 3 - HE2 LYS 53 far 0 57 0 - 8.2-9.7 HG2 ARG 19 - HE2 LYS 90 far 0 100 0 - 9.7-13.3 Violated in 0 structures by 0.00 A. Peak 3996 from cnoeabs.peaks (1.74, 2.81, 41.80 ppm; 3.53 A): 1 out of 7 assignments used, quality = 1.00: * HD2 LYS 90 + HE2 LYS 90 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 2 - HE3 LYS 53 far 0 41 0 - 7.3-9.2 HB2 LEU 2 - HE2 LYS 53 far 0 46 0 - 7.4-9.7 HD2 LYS 13 - HE2 LYS 90 far 0 59 0 - 8.3-12.0 HD3 LYS 13 - HE2 LYS 90 far 0 63 0 - 8.5-11.6 HB ILE 15 - HE2 LYS 90 far 0 99 0 - 9.8-12.5 HB ILE 56 - HE2 LYS 53 far 0 68 0 - 9.8-14.0 Violated in 0 structures by 0.00 A. Peak 3997 from cnoeabs.peaks (1.70, 2.81, 41.80 ppm; 3.56 A): 2 out of 17 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 + HE3 LYS 53 OK 26 75 35 99 3.6-5.0 2451/3.0=59, 5.0=35...(38) HB3 LYS 53 - HE2 LYS 53 far 12 81 15 - 3.6-5.0 HG2 PRO 86 - HE2 LYS 90 far 0 100 0 - 4.5-7.4 HD3 LYS 20 - HE2 LYS 90 far 0 90 0 - 5.0-9.2 HG3 LYS 20 - HE2 LYS 90 far 0 90 0 - 5.2-9.9 HD2 LYS 20 - HE2 LYS 90 far 0 93 0 - 6.7-9.0 HB ILE 52 - HE3 LYS 53 far 0 59 0 - 7.2-9.2 HB2 LEU 2 - HE3 LYS 53 far 0 78 0 - 7.3-9.2 HB2 LEU 2 - HE2 LYS 53 far 0 84 0 - 7.4-9.7 HB ILE 52 - HE2 LYS 53 far 0 65 0 - 7.4-9.5 HB3 ARG 91 - HE2 LYS 90 far 0 97 0 - 7.6-8.6 HD2 LYS 24 - HE2 LYS 90 far 0 100 0 - 7.8-11.6 HD3 LYS 24 - HE2 LYS 90 far 0 100 0 - 7.9-11.6 HD2 LYS 13 - HE2 LYS 90 far 0 100 0 - 8.3-12.0 HD3 LYS 13 - HE2 LYS 90 far 0 100 0 - 8.5-11.6 HB ILE 15 - HE2 LYS 90 far 0 71 0 - 9.8-12.5 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 14 assignments used, quality = 1.00: * HE3 LYS 90 + HE2 LYS 90 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 MET 21 - HE2 LYS 90 far 0 100 0 - 3.8-6.1 HB2 ASN 51 - HE3 LYS 53 far 0 75 0 - 4.9-8.5 HE3 LYS 20 - HE2 LYS 90 far 0 88 0 - 4.9-9.9 HB2 ASN 51 - HE2 LYS 53 far 0 82 0 - 4.9-8.7 HE2 LYS 20 - HE2 LYS 90 far 0 87 0 - 5.0-9.8 HE3 LYS 13 - HE2 LYS 90 far 0 90 0 - 7.7-13.0 HB3 PHE 45 - HE3 LYS 53 far 0 52 0 - 8.6-11.5 HE2 LYS 24 - HE2 LYS 90 far 0 84 0 - 8.7-12.9 HE3 LYS 94 - HE2 LYS 90 far 0 85 0 - 8.7-12.8 HE2 LYS 13 - HE2 LYS 90 far 0 87 0 - 8.7-13.1 HE3 LYS 24 - HE2 LYS 90 far 0 84 0 - 8.7-12.1 HE2 LYS 94 - HE2 LYS 90 far 0 96 0 - 8.8-12.7 HB3 PHE 45 - HE2 LYS 53 far 0 57 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. Peak 4001 from cnoeabs.peaks (8.05, 2.94, 41.80 ppm; 5.48 A increased from 5.16 A): 6 out of 35 assignments used, quality = 1.00: * H LYS 90 + HE3 LYS 90 OK 100 100 100 100 4.8-5.4 7422/3.0=91...(15) H LYS 13 + HE3 LYS 13 OK 49 55 90 100 3.6-6.2 6177/3.8=62, 6176/3.8=60...(24) H GLU 17 + HE3 LYS 90 OK 36 95 40 94 5.2-7.4 6258/9045=64...(7) H LYS 13 + HE2 LYS 13 OK 35 51 70 100 4.4-6.5 6177/3.8=62, 6167/3.8=60...(24) H GLU 17 + HE3 LYS 20 OK 28 67 55 74 4.7-7.5 ~916=15, ~905=15...(14) H GLU 17 + HE2 LYS 20 OK 26 65 50 79 3.1-6.8 ~916=15, ~905=15...(15) H GLU 16 - HE2 LYS 20 poor 10 49 20 - 5.1-8.6 H LYS 13 - HE3 LYS 12 far 6 40 15 - 4.2-7.7 H GLU 17 - HE2 LYS 13 far 3 65 5 - 5.4-9.9 H GLU 16 - HE3 LYS 13 far 3 53 5 - 5.8-9.7 H GLU 16 - HE2 LYS 13 far 2 49 5 - 5.7-9.8 H ILE 15 - HE3 LYS 12 far 2 42 5 - 4.3-8.3 H GLU 16 - HE3 LYS 12 far 2 39 5 - 3.6-8.6 H GLU 17 - HE3 LYS 13 far 0 70 0 - 5.9-9.9 H GLU 16 - HE3 LYS 20 far 0 51 0 - 6.3-9.2 H GLU 17 - HE3 LYS 12 far 0 53 0 - 6.4-11.3 H ILE 15 - HE3 LYS 13 far 0 56 0 - 6.5-9.4 H GLU 75 - HE3 LYS 73 far 0 72 0 - 6.5-9.1 H ILE 15 - HE2 LYS 13 far 0 52 0 - 6.5-9.6 H GLU 75 - HE2 LYS 73 far 0 65 0 - 6.8-9.0 H ILE 15 - HE2 LYS 20 far 0 52 0 - 7.2-10.9 H LYS 90 - HE2 LYS 20 far 0 73 0 - 7.4-11.9 H LYS 90 - HE3 LYS 94 far 0 71 0 - 7.6-11.5 H LYS 39 - HE3 LYS 73 far 0 59 0 - 7.7-13.7 H LYS 90 - HE2 LYS 94 far 0 90 0 - 7.7-11.5 H GLU 16 - HE3 LYS 90 far 0 77 0 - 8.1-10.2 H LYS 39 - HE2 LYS 73 far 0 53 0 - 8.2-14.0 H LYS 90 - HE3 LYS 20 far 0 76 0 - 8.4-11.9 H LYS 13 - HE2 LYS 20 far 0 51 0 - 8.5-11.8 H ILE 15 - HE3 LYS 20 far 0 54 0 - 8.8-11.4 H ILE 15 - HE3 LYS 90 far 0 81 0 - 8.9-11.0 H LYS 13 - HE3 LYS 20 far 0 53 0 - 9.1-12.8 H LYS 90 - HE3 LYS 24 far 0 68 0 - 9.4-13.5 H GLU 17 - HE3 LYS 24 far 0 60 0 - 9.8-14.7 H LYS 90 - HE2 LYS 24 far 0 68 0 - 10.0-14.0 Violated in 0 structures by 0.00 A. Peak 4003 from cnoeabs.peaks (1.81, 2.94, 41.80 ppm; 4.32 A increased from 4.06 A): 4 out of 38 assignments used, quality = 1.00: * HB2 LYS 90 + HE3 LYS 90 OK 100 100 100 100 2.9-4.5 3981/3.0=78, 2.8/4005=76...(24) HB3 LYS 90 + HE3 LYS 90 OK 89 90 100 100 2.6-4.6 2.8/4005=76, 4.8=71...(25) HB2 LYS 68 + HE3 LYS 68 OK 46 46 100 100 2.3-4.6 5.0=64, 2.9/4256=17...(62) HB2 LYS 68 + HE2 LYS 68 OK 30 50 60 100 2.0-4.9 5.0=64, 2998/7.2=17...(62) HB2 LYS 39 - HE3 LYS 73 far 0 93 0 - 5.6-12.8 HB2 LYS 90 - HE2 LYS 94 far 0 90 0 - 5.8-10.1 HB3 LYS 90 - HE2 LYS 94 far 0 76 0 - 6.0-9.1 HB3 LYS 90 - HE3 LYS 94 far 0 57 0 - 6.1-9.0 HB3 LYS 90 - HE2 LYS 20 far 0 60 0 - 6.2-11.7 HB2 LYS 90 - HE3 LYS 94 far 0 71 0 - 6.2-10.0 HB3 LYS 90 - HE3 LYS 24 far 0 55 0 - 6.5-10.9 HB3 LYS 90 - HE2 LYS 24 far 0 55 0 - 6.6-11.3 HB2 LYS 39 - HE2 LYS 73 far 0 86 0 - 6.7-13.3 HB2 LYS 90 - HE2 LYS 20 far 0 73 0 - 6.8-12.5 HB ILE 93 - HE3 LYS 94 far 0 68 0 - 6.9-8.8 HB ILE 93 - HE2 LYS 94 far 0 88 0 - 7.0-9.1 HB ILE 93 - HE3 LYS 90 far 0 99 0 - 7.3-8.6 HB3 LYS 90 - HE3 LYS 20 far 0 62 0 - 7.3-11.2 HB ILE 93 - HE3 LYS 24 far 0 66 0 - 7.4-11.3 HB2 LEU 42 - HE3 LYS 73 far 0 97 0 - 7.4-12.9 HB ILE 93 - HE2 LYS 24 far 0 66 0 - 7.7-11.5 HB2 LYS 90 - HE3 LYS 20 far 0 76 0 - 8.1-12.1 HB2 LYS 90 - HE3 LYS 24 far 0 68 0 - 8.2-12.6 HB VAL 78 - HE2 LYS 68 far 0 43 0 - 8.4-11.7 HB2 LYS 90 - HE2 LYS 24 far 0 68 0 - 8.4-13.0 HB3 GLU 63 - HE3 LYS 68 far 0 36 0 - 8.4-12.0 HB VAL 78 - HE3 LYS 68 far 0 39 0 - 8.5-11.5 HB2 LEU 42 - HE2 LYS 73 far 0 91 0 - 8.8-13.4 HB2 GLU 88 - HE3 LYS 90 far 0 100 0 - 8.9-9.5 HG3 ARG 46 - HE3 LYS 73 far 0 80 0 - 8.9-15.3 HB ILE 93 - HE2 LYS 20 far 0 71 0 - 9.0-12.4 HB3 GLU 63 - HE2 LYS 68 far 0 40 0 - 9.1-12.0 HB2 LYS 68 - HE3 LYS 73 far 0 78 0 - 9.1-12.6 HB2 GLU 104 - HE2 LYS 68 far 0 68 0 - 9.2-29.4 HB ILE 93 - HE3 LYS 20 far 0 73 0 - 9.3-12.5 HB2 LYS 68 - HE2 LYS 73 far 0 72 0 - 9.5-12.9 HB2 GLU 88 - HE3 LYS 94 far 0 71 0 - 9.6-14.9 HG2 ARG 46 - HE3 LYS 73 far 0 93 0 - 9.8-15.6 Violated in 0 structures by 0.00 A. Peak 4004 from cnoeabs.peaks (1.83, 2.94, 41.80 ppm; 4.39 A): 7 out of 52 assignments used, quality = 1.00: * HB3 LYS 90 + HE3 LYS 90 OK 100 100 100 100 2.6-4.6 2.8/4005=78, 4.8=75...(25) HB2 LYS 90 + HE3 LYS 90 OK 90 90 100 100 2.9-4.5 2.8/4005=78, 4.8=75...(24) HB2 LYS 68 + HE3 LYS 68 OK 62 62 100 100 2.3-4.6 5.0=68, 2998/7.2=22...(62) HB2 LYS 68 + HE2 LYS 68 OK 44 68 65 100 2.0-4.9 5.0=68, 2998/7.2=22...(63) HB3 LYS 68 + HE3 LYS 68 OK 33 33 100 100 2.0-4.5 5.0=68, 7107/7.2=23...(59) HB3 LYS 68 + HE2 LYS 68 OK 32 36 90 100 2.3-4.9 5.0=68, 7107/7.2=23...(60) HB2 LYS 12 + HE3 LYS 12 OK 26 39 65 100 3.1-5.5 4.8=76, ~463=51, ~423=48...(60) HB3 LYS 12 - HE3 LYS 12 poor 18 37 50 - 2.1-5.5 HB2 LYS 12 - HE3 LYS 13 far 3 53 5 - 4.0-8.2 HB3 LYS 12 - HE3 LYS 13 far 3 50 5 - 4.1-7.9 HB2 LYS 12 - HE2 LYS 13 far 0 49 0 - 5.2-8.6 HB3 LYS 12 - HE2 LYS 13 far 0 46 0 - 5.5-8.2 HB2 LYS 39 - HE3 LYS 73 far 0 61 0 - 5.6-12.8 HB2 LYS 90 - HE2 LYS 94 far 0 76 0 - 5.8-10.1 HB3 LYS 39 - HE2 LYS 73 far 0 69 0 - 5.8-12.9 HB3 LYS 90 - HE2 LYS 94 far 0 90 0 - 6.0-9.1 HB3 LYS 90 - HE3 LYS 94 far 0 71 0 - 6.1-9.0 HB3 LYS 90 - HE2 LYS 20 far 0 73 0 - 6.2-11.7 HB2 LYS 90 - HE3 LYS 94 far 0 57 0 - 6.2-10.0 HB3 LYS 39 - HE3 LYS 73 far 0 75 0 - 6.2-13.3 HB3 LYS 90 - HE3 LYS 24 far 0 68 0 - 6.5-10.9 HB3 LYS 90 - HE2 LYS 24 far 0 68 0 - 6.6-11.3 HB2 LYS 39 - HE2 LYS 73 far 0 55 0 - 6.7-13.3 HB2 LYS 12 - HE2 LYS 20 far 0 49 0 - 6.8-11.1 HB2 LYS 90 - HE2 LYS 20 far 0 60 0 - 6.8-12.5 HB ILE 93 - HE3 LYS 94 far 0 46 0 - 6.9-8.8 HB ILE 93 - HE2 LYS 94 far 0 62 0 - 7.0-9.1 HB ILE 93 - HE3 LYS 90 far 0 75 0 - 7.3-8.6 HB3 LYS 90 - HE3 LYS 20 far 0 76 0 - 7.3-11.2 HB ILE 93 - HE3 LYS 24 far 0 44 0 - 7.4-11.3 HB2 LEU 42 - HE3 LYS 73 far 0 77 0 - 7.4-12.9 HB3 LYS 66 - HE3 LYS 68 far 0 45 0 - 7.6-10.3 HB ILE 93 - HE2 LYS 24 far 0 44 0 - 7.7-11.5 HB3 LYS 66 - HE2 LYS 68 far 0 49 0 - 7.9-10.0 HB2 LYS 12 - HE3 LYS 20 far 0 51 0 - 7.9-12.2 HB2 LYS 90 - HE3 LYS 20 far 0 62 0 - 8.1-12.1 HB2 LYS 90 - HE3 LYS 24 far 0 55 0 - 8.2-12.6 HB2 LYS 90 - HE2 LYS 24 far 0 55 0 - 8.4-13.0 HB3 LYS 66 - HE2 LYS 73 far 0 70 0 - 8.4-12.9 HB3 LYS 12 - HE2 LYS 20 far 0 46 0 - 8.6-12.7 HB3 LYS 66 - HE3 LYS 73 far 0 77 0 - 8.6-12.8 HB2 LEU 42 - HE2 LYS 73 far 0 70 0 - 8.8-13.4 HB2 GLU 88 - HE3 LYS 90 far 0 85 0 - 8.9-9.5 HB ILE 93 - HE2 LYS 20 far 0 48 0 - 9.0-12.4 HB2 LYS 68 - HE3 LYS 73 far 0 97 0 - 9.1-12.6 HB2 GLU 104 - HE2 LYS 68 far 0 52 0 - 9.2-29.4 HB ILE 93 - HE3 LYS 20 far 0 50 0 - 9.3-12.5 HB2 LYS 68 - HE2 LYS 73 far 0 91 0 - 9.5-12.9 HB3 LYS 12 - HE3 LYS 20 far 0 48 0 - 9.5-13.7 HB2 GLU 88 - HE3 LYS 94 far 0 54 0 - 9.6-14.9 HB3 GLU 104 - HE2 LYS 68 far 0 37 0 - 9.7-30.5 HG2 ARG 46 - HE3 LYS 73 far 0 96 0 - 9.8-15.6 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 10 assignments used, quality = 1.00: * HG2 LYS 90 + HE3 LYS 90 OK 100 100 100 100 3.0-3.7 3.8=91, 9911/9906=27...(30) HG2 LYS 90 - HE2 LYS 20 far 0 73 0 - 5.2-10.1 HG2 LYS 90 - HE3 LYS 20 far 0 76 0 - 6.2-10.0 HB3 LEU 42 - HE3 LYS 73 far 0 91 0 - 7.8-12.8 HG2 LYS 90 - HE3 LYS 24 far 0 68 0 - 7.8-12.1 HG2 LYS 90 - HE2 LYS 94 far 0 90 0 - 8.4-11.8 HG2 LYS 90 - HE2 LYS 24 far 0 68 0 - 8.5-12.4 HG2 LYS 90 - HE3 LYS 94 far 0 71 0 - 8.5-11.6 HB3 LEU 42 - HE2 LYS 73 far 0 84 0 - 9.0-13.1 HG2 LYS 90 - HE3 LYS 13 far 0 78 0 - 9.2-14.0 Violated in 1 structures by 0.00 A. Peak 4006 from cnoeabs.peaks (1.58, 2.94, 41.80 ppm; 3.06 A): 8 out of 50 assignments used, quality = 1.00: * HG3 LYS 90 + HE3 LYS 90 OK 94 100 100 94 2.2-2.9 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 HD3 LYS 94 + HE3 LYS 94 OK 65 65 100 100 2.4-3.0 3.0=100 HG2 LYS 24 + HE2 LYS 24 OK 46 68 70 96 2.3-3.8 3.7=56, 1121/3.0=11...(80) HG2 LYS 24 + HE3 LYS 24 OK 36 68 55 96 2.1-3.9 3.7=56, 1121/3.0=11...(80) HG3 LYS 73 + HE3 LYS 73 OK 27 93 30 96 2.1-4.2 4.0=45, 3298/3.0=20...(80) HG3 LYS 12 + HE3 LYS 12 OK 27 57 50 93 2.2-3.9 4.0=46, ~463=34, ~423=30...(29) HG3 LYS 73 + HE2 LYS 73 OK 25 86 30 96 2.1-4.2 4.0=45, 3298/3.0=20...(80) HG3 LYS 90 - HE2 LYS 20 far 0 73 0 - 4.1-9.6 HG2 ARG 19 - HE2 LYS 20 far 0 73 0 - 5.2-10.0 HG2 ARG 19 - HE3 LYS 12 far 0 60 0 - 5.2-12.1 HG3 LYS 90 - HE3 LYS 20 far 0 76 0 - 5.3-9.2 HG3 LYS 12 - HE3 LYS 13 far 0 75 0 - 6.0-10.1 HG3 LYS 90 - HE3 LYS 24 far 0 68 0 - 6.3-10.6 HG2 LYS 24 - HE3 LYS 94 far 0 71 0 - 6.5-13.1 HG2 LYS 24 - HE3 LYS 20 far 0 76 0 - 6.5-10.8 HG2 ARG 19 - HE3 LYS 20 far 0 76 0 - 6.7-9.8 HD3 LYS 94 - HE3 LYS 90 far 0 97 0 - 6.8-11.7 HG2 LYS 24 - HE2 LYS 20 far 0 73 0 - 7.0-10.6 HG3 LYS 90 - HE2 LYS 24 far 0 68 0 - 7.0-10.9 HD2 LYS 66 - HE3 LYS 73 far 0 90 0 - 7.1-11.8 HD2 LYS 66 - HE2 LYS 73 far 0 83 0 - 7.2-11.5 HG3 LYS 12 - HE2 LYS 13 far 0 70 0 - 7.3-10.3 HG2 LYS 24 - HE2 LYS 94 far 0 90 0 - 7.3-12.8 HD3 LYS 94 - HE2 LYS 24 far 0 63 0 - 7.4-13.6 HD3 LYS 94 - HE3 LYS 24 far 0 63 0 - 7.5-13.8 HB2 ARG 79 - HE2 LYS 68 far 0 61 0 - 7.9-12.8 HD2 LYS 66 - HE3 LYS 68 far 0 55 0 - 8.0-11.9 HG2 LYS 33 - HE3 LYS 12 far 0 32 0 - 8.1-11.7 HG3 LYS 90 - HE2 LYS 94 far 0 90 0 - 8.1-11.2 HG3 LYS 90 - HE3 LYS 94 far 0 71 0 - 8.2-10.9 HG3 LYS 12 - HE2 LYS 20 far 0 70 0 - 8.4-13.5 HG LEU 27 - HE3 LYS 94 far 0 65 0 - 8.5-12.8 HD2 LYS 66 - HE2 LYS 68 far 0 60 0 - 8.7-12.0 HD3 LYS 82 - HE2 LYS 68 far 0 59 0 - 8.8-12.9 HB3 LEU 29 - HE3 LYS 24 far 0 64 0 - 8.9-14.2 HB2 ARG 79 - HE3 LYS 68 far 0 56 0 - 8.9-13.2 HG LEU 27 - HE2 LYS 94 far 0 85 0 - 9.0-13.6 HG LEU 27 - HE3 LYS 24 far 0 63 0 - 9.0-12.2 HG2 LYS 24 - HE3 LYS 90 far 0 100 0 - 9.0-11.8 HD3 LYS 82 - HE3 LYS 68 far 0 54 0 - 9.0-13.0 HG3 LYS 73 - HE2 LYS 68 far 0 63 0 - 9.1-12.5 HG3 LYS 90 - HE3 LYS 13 far 0 78 0 - 9.3-14.3 HG3 LYS 73 - HE3 LYS 68 far 0 58 0 - 9.3-12.3 HG2 ARG 19 - HE3 LYS 90 far 0 100 0 - 9.3-11.7 HG3 LYS 12 - HE3 LYS 20 far 0 73 0 - 9.6-14.7 HG2 ARG 19 - HE3 LYS 24 far 0 68 0 - 9.7-15.6 HB3 LEU 29 - HE2 LYS 20 far 0 69 0 - 9.7-12.3 HG LEU 27 - HE2 LYS 24 far 0 63 0 - 9.9-12.2 HB3 LEU 29 - HE3 LYS 20 far 0 72 0 - 9.9-12.5 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 61 assignments used, quality = 1.00: * HD2 LYS 90 + HE3 LYS 90 OK 100 100 100 100 2.6-3.0 3.0=100 HD3 LYS 13 + HE3 LYS 13 OK 43 43 100 100 2.5-3.0 2.9=100 HD2 LYS 13 + HE3 LYS 13 OK 40 40 100 100 2.3-3.0 2.9=100 HD3 LYS 13 + HE2 LYS 13 OK 39 39 100 100 2.3-3.0 2.9=100 HD2 LYS 13 + HE2 LYS 13 OK 36 36 100 100 2.5-3.0 2.9=100 HD3 LYS 12 + HE3 LYS 12 OK 29 29 100 100 2.3-3.0 3.0=100 HD2 LYS 12 + HE3 LYS 12 OK 29 29 100 100 2.3-3.0 3.0=100 HB ILE 15 - HE3 LYS 12 far 3 57 5 - 2.2-6.9 HB3 LEU 70 - HE3 LYS 73 far 0 82 0 - 4.4-8.9 HB3 LEU 70 - HE2 LYS 73 far 0 75 0 - 4.6-9.1 HD3 LYS 33 - HE3 LYS 12 far 0 54 0 - 5.8-9.2 HD2 LYS 90 - HE2 LYS 20 far 0 73 0 - 6.0-11.8 HB ILE 56 - HE3 LYS 68 far 0 48 0 - 6.2-9.8 HD3 LYS 13 - HE3 LYS 20 far 0 41 0 - 6.3-10.9 HD3 LYS 12 - HE3 LYS 13 far 0 40 0 - 6.5-10.7 HD3 LYS 66 - HE3 LYS 68 far 0 31 0 - 6.6-10.5 HD3 LYS 66 - HE2 LYS 73 far 0 51 0 - 6.6-10.6 HG3 ARG 19 - HE2 LYS 20 far 0 61 0 - 6.6-9.4 HG3 ARG 19 - HE3 LYS 12 far 0 49 0 - 6.7-11.7 HB ILE 56 - HE2 LYS 68 far 0 53 0 - 6.7-10.1 HD2 LYS 33 - HE3 LYS 12 far 0 54 0 - 6.9-10.5 HB ILE 15 - HE2 LYS 20 far 0 70 0 - 6.9-10.7 HB2 LYS 66 - HE2 LYS 73 far 0 70 0 - 6.9-11.7 HD3 LYS 66 - HE3 LYS 73 far 0 57 0 - 6.9-10.7 HB2 LYS 66 - HE3 LYS 73 far 0 77 0 - 7.0-11.4 HD2 LYS 13 - HE3 LYS 20 far 0 38 0 - 7.0-11.8 HB ILE 15 - HE3 LYS 13 far 0 75 0 - 7.1-10.8 HD2 LYS 13 - HE2 LYS 20 far 0 36 0 - 7.1-12.4 HD2 LYS 12 - HE3 LYS 13 far 0 40 0 - 7.1-11.2 HD2 LYS 12 - HE2 LYS 13 far 0 36 0 - 7.2-12.0 HD2 LYS 90 - HE3 LYS 20 far 0 76 0 - 7.3-11.3 HD3 LYS 13 - HE3 LYS 12 far 0 31 0 - 7.3-11.8 HD3 LYS 13 - HE2 LYS 20 far 0 39 0 - 7.3-12.0 HB ILE 15 - HE2 LYS 13 far 0 70 0 - 7.4-11.0 HD2 LYS 90 - HE2 LYS 94 far 0 90 0 - 7.4-11.9 HD3 LYS 66 - HE2 LYS 68 far 0 35 0 - 7.4-10.5 HD3 LYS 12 - HE2 LYS 13 far 0 36 0 - 7.5-10.9 HD2 LYS 13 - HE3 LYS 12 far 0 29 0 - 7.7-11.9 HD2 LYS 13 - HE3 LYS 90 far 0 59 0 - 7.7-13.0 HG3 ARG 19 - HE3 LYS 20 far 0 63 0 - 7.9-9.7 HD2 LYS 90 - HE3 LYS 94 far 0 71 0 - 8.0-11.8 HD3 LYS 13 - HE3 LYS 90 far 0 63 0 - 8.0-12.7 HD2 ARG 81 - HE2 LYS 68 far 0 63 0 - 8.0-12.4 HD2 ARG 81 - HE3 LYS 68 far 0 58 0 - 8.0-12.4 HB2 LYS 66 - HE3 LYS 68 far 0 45 0 - 8.0-10.9 HB3 LYS 82 - HE3 LYS 68 far 0 47 0 - 8.1-11.7 HB ILE 15 - HE3 LYS 20 far 0 73 0 - 8.3-11.4 HB3 LYS 82 - HE2 LYS 68 far 0 52 0 - 8.4-12.2 HB3 GLU 63 - HE3 LYS 68 far 0 30 0 - 8.4-12.0 HD2 LYS 12 - HE2 LYS 20 far 0 36 0 - 8.6-14.3 HB2 LYS 66 - HE2 LYS 68 far 0 49 0 - 8.7-10.6 HD2 LYS 90 - HE3 LYS 13 far 0 78 0 - 8.8-13.4 HD2 LYS 90 - HE3 LYS 24 far 0 68 0 - 9.0-12.8 HB3 GLU 63 - HE2 LYS 68 far 0 33 0 - 9.1-12.0 HD3 LYS 12 - HE2 LYS 20 far 0 36 0 - 9.2-14.5 HD2 LYS 12 - HE3 LYS 20 far 0 38 0 - 9.3-14.9 HD2 LYS 90 - HE2 LYS 24 far 0 68 0 - 9.4-13.4 HD3 LYS 12 - HE3 LYS 20 far 0 38 0 - 9.6-14.1 HG3 ARG 19 - HE3 LYS 90 far 0 91 0 - 9.8-11.5 HD2 LYS 90 - HE2 LYS 13 far 0 73 0 - 9.9-13.5 HG3 ARG 19 - HE3 LYS 24 far 0 56 0 - 9.9-15.2 Violated in 0 structures by 0.00 A. Peak 4008 from cnoeabs.peaks (1.70, 2.94, 41.80 ppm; 3.00 A): 20 out of 105 assignments used, quality = 1.00: * HD3 LYS 90 + HE3 LYS 90 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 13 + HE3 LYS 13 OK 78 78 100 100 2.3-3.0 2.9=100 HD3 LYS 13 + HE3 LYS 13 OK 77 77 100 100 2.5-3.0 2.9=100 HD2 LYS 73 + HE3 LYS 73 OK 74 74 100 100 2.3-3.0 3.0=100 HD2 LYS 13 + HE2 LYS 13 OK 73 73 100 100 2.5-3.0 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 2.5-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 68 68 100 100 2.3-3.0 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 2.3-3.0 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 2.5-3.0 3.0=100 HD2 LYS 20 + HE3 LYS 20 OK 65 65 100 100 2.3-3.0 3.0=100 HD3 LYS 73 + HE2 LYS 73 OK 64 64 100 100 2.3-3.0 3.0=100 HD2 LYS 20 + HE2 LYS 20 OK 63 63 100 100 2.3-3.0 3.0=100 HD3 LYS 20 + HE3 LYS 20 OK 62 62 100 100 2.2-3.0 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 2.3-3.0 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 25 60 45 91 2.4-4.2 3.6=60, 3.0/868=7...(63) HG3 LYS 20 - HE3 LYS 20 poor 15 62 25 - 2.5-4.2 HB ILE 15 - HE3 LYS 12 far 2 36 5 - 2.2-6.9 HG LEU 70 - HE3 LYS 73 far 0 97 0 - 3.5-8.3 HG LEU 70 - HE2 LYS 73 far 0 92 0 - 3.8-8.4 HD3 LYS 24 - HE3 LYS 94 far 0 71 0 - 4.1-12.4 HG2 PRO 86 - HE3 LYS 13 far 0 78 0 - 4.2-9.0 HD3 LYS 24 - HE3 LYS 20 far 0 76 0 - 4.4-10.9 HB3 LEU 70 - HE3 LYS 73 far 0 88 0 - 4.4-8.9 HD3 LYS 20 - HE3 LYS 90 far 0 90 0 - 4.4-8.4 HB3 ARG 91 - HE3 LYS 94 far 0 65 0 - 4.4-10.1 HG12 ILE 15 - HE3 LYS 12 far 0 60 0 - 4.6-8.2 HB3 LEU 70 - HE2 LYS 73 far 0 81 0 - 4.6-9.1 HD3 LYS 90 - HE2 LYS 20 far 0 73 0 - 4.7-10.7 HG3 LYS 20 - HE3 LYS 90 far 0 90 0 - 4.9-8.9 HG2 PRO 86 - HE2 LYS 13 far 0 73 0 - 5.0-9.6 HB3 ARG 91 - HE2 LYS 94 far 0 85 0 - 5.1-10.1 HD2 LYS 24 - HE3 LYS 94 far 0 71 0 - 5.2-13.3 HD2 LYS 24 - HE3 LYS 20 far 0 76 0 - 5.2-9.9 HD3 LYS 24 - HE2 LYS 20 far 0 73 0 - 5.3-10.5 HG3 LYS 20 - HE2 LYS 24 far 0 55 0 - 5.4-11.6 HG2 PRO 86 - HE3 LYS 90 far 0 100 0 - 5.5-7.5 HD2 LYS 20 - HE3 LYS 90 far 0 93 0 - 5.6-8.5 HD3 LYS 24 - HE2 LYS 94 far 0 90 0 - 5.7-12.3 HD3 LYS 20 - HE3 LYS 24 far 0 55 0 - 5.8-12.5 HD3 LYS 33 - HE3 LYS 12 far 0 42 0 - 5.8-9.2 HD3 LYS 20 - HE2 LYS 24 far 0 55 0 - 6.1-12.3 HG3 LYS 20 - HE3 LYS 24 far 0 55 0 - 6.2-11.6 HD3 LYS 90 - HE3 LYS 20 far 0 76 0 - 6.2-10.3 HD3 LYS 13 - HE3 LYS 20 far 0 75 0 - 6.3-10.9 HD2 LYS 24 - HE2 LYS 20 far 0 73 0 - 6.4-10.6 HD3 LYS 12 - HE3 LYS 13 far 0 78 0 - 6.5-10.7 HD2 LYS 20 - HE2 LYS 13 far 0 63 0 - 6.5-12.1 HD3 LYS 66 - HE3 LYS 68 far 0 62 0 - 6.6-10.5 HD3 LYS 66 - HE2 LYS 73 far 0 91 0 - 6.6-10.6 HD2 LYS 20 - HE3 LYS 24 far 0 58 0 - 6.9-12.0 HD2 LYS 33 - HE3 LYS 12 far 0 42 0 - 6.9-10.5 HB ILE 15 - HE2 LYS 20 far 0 45 0 - 6.9-10.7 HD2 LYS 24 - HE2 LYS 94 far 0 90 0 - 6.9-12.9 HD3 LYS 66 - HE3 LYS 73 far 0 97 0 - 6.9-10.7 HD2 LYS 13 - HE3 LYS 20 far 0 75 0 - 7.0-11.8 HD2 LYS 24 - HE3 LYS 90 far 0 100 0 - 7.1-11.6 HB ILE 15 - HE3 LYS 13 far 0 49 0 - 7.1-10.8 HD2 LYS 13 - HE2 LYS 20 far 0 73 0 - 7.1-12.4 HD2 LYS 12 - HE3 LYS 13 far 0 78 0 - 7.1-11.2 HD2 LYS 12 - HE2 LYS 13 far 0 73 0 - 7.2-12.0 HD3 LYS 24 - HE3 LYS 90 far 0 100 0 - 7.3-10.7 HD3 LYS 13 - HE3 LYS 12 far 0 59 0 - 7.3-11.8 HD3 LYS 13 - HE2 LYS 20 far 0 72 0 - 7.3-12.0 HB3 ARG 91 - HE3 LYS 90 far 0 97 0 - 7.4-8.9 HD3 LYS 90 - HE3 LYS 13 far 0 78 0 - 7.4-13.8 HB ILE 15 - HE2 LYS 13 far 0 45 0 - 7.4-11.0 HD3 LYS 66 - HE2 LYS 68 far 0 67 0 - 7.4-10.5 HD3 LYS 12 - HE2 LYS 13 far 0 73 0 - 7.5-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 58 0 - 7.5-11.7 HD3 LYS 20 - HE2 LYS 13 far 0 60 0 - 7.5-13.3 HD2 LYS 20 - HE3 LYS 13 far 0 68 0 - 7.5-11.8 HD3 LYS 20 - HE3 LYS 13 far 0 64 0 - 7.6-13.1 HD2 LYS 13 - HE3 LYS 12 far 0 60 0 - 7.7-11.9 HD2 LYS 13 - HE3 LYS 90 far 0 100 0 - 7.7-13.0 HG2 PRO 86 - HE2 LYS 20 far 0 73 0 - 7.8-11.7 HD3 LYS 13 - HE3 LYS 90 far 0 100 0 - 8.0-12.7 HD2 ARG 81 - HE2 LYS 68 far 0 47 0 - 8.0-12.4 HD2 ARG 81 - HE3 LYS 68 far 0 42 0 - 8.0-12.4 HD2 LYS 20 - HE3 LYS 12 far 0 51 0 - 8.1-13.3 HD3 LYS 90 - HE3 LYS 94 far 0 71 0 - 8.2-13.0 HD3 LYS 20 - HE3 LYS 12 far 0 48 0 - 8.2-14.3 HB ILE 15 - HE3 LYS 20 far 0 47 0 - 8.3-11.4 HG3 LYS 20 - HE3 LYS 12 far 0 48 0 - 8.3-16.0 HG LEU 70 - HE3 LYS 68 far 0 63 0 - 8.4-10.9 HD3 LYS 90 - HE2 LYS 13 far 0 73 0 - 8.4-13.0 HG3 LYS 20 - HE2 LYS 13 far 0 60 0 - 8.6-13.7 HD2 LYS 12 - HE2 LYS 20 far 0 73 0 - 8.6-14.3 HG2 PRO 86 - HE3 LYS 20 far 0 75 0 - 8.8-12.5 HD3 LYS 90 - HE3 LYS 24 far 0 68 0 - 8.9-13.3 HD3 LYS 90 - HE2 LYS 94 far 0 90 0 - 9.0-13.0 HD3 LYS 12 - HE2 LYS 20 far 0 73 0 - 9.2-14.5 HD2 LYS 12 - HE3 LYS 20 far 0 75 0 - 9.3-14.9 HG3 LYS 20 - HE3 LYS 13 far 0 64 0 - 9.3-14.0 HG LEU 70 - HE2 LYS 68 far 0 68 0 - 9.4-11.0 HG12 ILE 15 - HE2 LYS 20 far 0 73 0 - 9.5-12.8 HD3 LYS 73 - HE3 LYS 68 far 0 40 0 - 9.6-14.5 HD3 LYS 12 - HE3 LYS 20 far 0 75 0 - 9.6-14.1 HD3 LYS 90 - HE2 LYS 24 far 0 68 0 - 9.6-13.5 HG12 ILE 15 - HE3 LYS 13 far 0 78 0 - 9.7-12.9 HD2 LYS 73 - HE3 LYS 68 far 0 42 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 4009 from cnoeabs.peaks (2.81, 2.94, 41.80 ppm; 2.49 A): 1 out of 9 assignments used, quality = 1.00: * HE2 LYS 90 + HE3 LYS 90 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 90 - HE3 LYS 20 far 0 76 0 - 4.9-9.9 HE2 LYS 90 - HE2 LYS 20 far 0 73 0 - 5.0-9.8 HE2 LYS 90 - HE3 LYS 13 far 0 78 0 - 7.7-13.0 HE2 LYS 90 - HE2 LYS 24 far 0 68 0 - 8.7-12.9 HE2 LYS 90 - HE3 LYS 94 far 0 71 0 - 8.7-12.8 HE2 LYS 90 - HE2 LYS 13 far 0 73 0 - 8.7-13.1 HE2 LYS 90 - HE3 LYS 24 far 0 68 0 - 8.7-12.1 HE2 LYS 90 - HE2 LYS 94 far 0 90 0 - 8.8-12.7 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 far 10 99 10 - 2.3-7.1 H LYS 47 - HA GLU 43 far 0 99 0 - 4.8-5.4 HE3 TRP 92 - HA ARG 91 far 0 59 0 - 6.8-7.3 HE ARG 46 - HA LYS 40 far 0 67 0 - 7.5-12.0 HZ2 TRP 92 - HA ARG 91 far 0 91 0 - 8.9-9.6 H LYS 47 - HA LYS 40 far 0 67 0 - 9.6-10.1 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): 3 out of 21 assignments used, quality = 1.00: * HB2 ARG 91 + HA ARG 91 OK 100 100 100 100 2.3-2.4 3.0=100 HG3 ARG 91 + HA ARG 91 OK 58 70 85 98 2.5-3.5 4.0=48, 1.8/4016=48...(22) HB2 LEU 38 + HA GLU 35 OK 54 74 95 77 2.8-3.5 6588/12057=30...(11) HG LEU 38 - HA GLU 35 far 0 81 0 - 4.0-4.7 HD2 LYS 40 - HA LYS 40 far 0 54 0 - 4.3-4.8 HD3 LYS 40 - HA LYS 40 far 0 55 0 - 4.7-5.4 HG2 LYS 47 - HA GLU 43 far 0 99 0 - 4.8-6.7 HG3 LYS 66 - HA GLU 35 far 0 99 0 - 5.6-7.0 HG2 LYS 66 - HA GLU 35 far 0 99 0 - 6.9-8.2 HB2 LEU 38 - HA LYS 40 far 0 43 0 - 7.2-8.1 HD2 LYS 40 - HA GLU 35 far 0 88 0 - 8.6-10.3 HD3 LYS 40 - HA GLU 35 far 0 89 0 - 8.8-11.2 HG LEU 57 - HA ARG 91 far 0 96 0 - 8.9-9.4 HG2 LYS 47 - HA LYS 40 far 0 67 0 - 9.1-10.4 HD2 LYS 40 - HA GLU 43 far 0 88 0 - 9.2-10.1 HG3 LYS 33 - HA GLU 35 far 0 93 0 - 9.2-9.3 HG LEU 38 - HA LYS 40 far 0 48 0 - 9.3-9.5 HG3 LYS 24 - HA ARG 91 far 0 90 0 - 9.3-12.8 HD3 LYS 40 - HA GLU 43 far 0 89 0 - 9.5-10.3 HG2 LYS 73 - HA GLU 35 far 0 99 0 - 9.9-11.2 HB2 LEU 38 - HA GLU 43 far 0 73 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 4015 from cnoeabs.peaks (1.68, 3.89, 59.16 ppm; 2.98 A): 3 out of 27 assignments used, quality = 1.00: * HB3 ARG 91 + HA ARG 91 OK 100 100 100 100 3.0-3.0 3.0=98, 7443/3.0=46...(22) HB3 LYS 40 + HA LYS 40 OK 67 67 100 100 2.2-2.3 3.0=97, 1795/2.9=39...(24) HB2 LYS 40 + HA LYS 40 OK 37 37 100 100 2.8-3.0 3.0=97, 6647/3.6=35...(21) HD3 LYS 47 - HA GLU 43 far 0 99 0 - 4.9-7.6 HD2 LYS 39 - HA LYS 40 far 0 47 0 - 5.0-7.1 HG LEU 70 - HA GLU 35 far 0 94 0 - 5.5-6.5 HD2 LYS 47 - HA GLU 43 far 0 99 0 - 5.6-7.9 HD2 LYS 39 - HA GLU 35 far 0 79 0 - 6.0-7.7 HB3 LEU 70 - HA GLU 35 far 0 70 0 - 6.1-6.9 HD3 LYS 90 - HA ARG 91 far 0 97 0 - 6.4-7.7 HD3 LYS 66 - HA GLU 35 far 0 92 0 - 6.7-8.7 HB2 LYS 40 - HA GLU 35 far 0 64 0 - 7.4-8.0 HD2 LYS 39 - HA GLU 43 far 0 79 0 - 7.4-8.6 HB3 LYS 40 - HA GLU 43 far 0 99 0 - 7.5-7.9 HB ILE 76 - HA GLU 43 far 0 60 0 - 7.6-8.2 HB3 LEU 70 - HA LYS 40 far 0 41 0 - 7.9-8.9 HB2 LYS 40 - HA GLU 43 far 0 64 0 - 8.0-8.4 HB3 LYS 40 - HA GLU 35 far 0 100 0 - 8.0-9.3 HB3 LEU 6 - HA GLU 35 far 0 68 0 - 8.5-9.0 HD2 LYS 73 - HA GLU 43 far 0 95 0 - 8.5-14.0 HB3 LEU 70 - HA GLU 43 far 0 70 0 - 8.7-9.4 HD2 LYS 47 - HA LYS 40 far 0 67 0 - 9.0-11.4 HD2 LYS 24 - HA ARG 91 far 0 98 0 - 9.1-13.1 HD3 LYS 24 - HA ARG 91 far 0 97 0 - 9.2-12.9 HD3 LYS 47 - HA LYS 40 far 0 67 0 - 9.3-10.7 HD2 LYS 73 - HA LYS 40 far 0 61 0 - 9.7-14.7 HD3 LYS 73 - HA GLU 43 far 0 93 0 - 9.8-14.0 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 3 assignments used, quality = 1.00: * HG2 ARG 91 + HA ARG 91 OK 100 100 100 100 2.5-3.6 4.0=93, 7444/3.0=46...(33) HG12 ILE 76 - HA GLU 43 far 0 97 0 - 6.5-7.1 HG12 ILE 52 - HA GLU 43 far 0 64 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 4017 from cnoeabs.peaks (1.45, 3.89, 59.16 ppm; 3.01 A): 3 out of 21 assignments used, quality = 0.96: HB2 LEU 38 + HA GLU 35 OK 72 99 90 80 2.8-3.5 6586/12057=33, 1627=24...(11) HB2 ARG 91 + HA ARG 91 OK 70 70 100 100 2.3-2.4 3.0=100 * HG3 ARG 91 + HA ARG 91 OK 49 100 50 98 2.5-3.5 1.8/4016=43, 4.0=43...(22) HG3 LYS 39 - HA LYS 40 far 0 64 0 - 3.6-6.3 HG LEU 38 - HA GLU 35 far 0 99 0 - 4.0-4.7 HD2 LYS 40 - HA LYS 40 far 0 63 0 - 4.3-4.8 HD3 LYS 40 - HA LYS 40 far 0 63 0 - 4.7-5.4 HG2 LYS 47 - HA GLU 43 far 0 58 0 - 4.8-6.7 HG3 LYS 39 - HA GLU 43 far 0 97 0 - 5.6-7.5 HG13 ILE 76 - HA GLU 43 far 0 94 0 - 5.8-6.4 HG3 LYS 39 - HA GLU 35 far 0 98 0 - 6.7-8.3 HG2 LYS 66 - HA GLU 35 far 0 58 0 - 6.9-8.2 HB2 LEU 38 - HA LYS 40 far 0 67 0 - 7.2-8.1 HD2 LYS 40 - HA GLU 35 far 0 97 0 - 8.6-10.3 HD3 LYS 40 - HA GLU 35 far 0 97 0 - 8.8-11.2 HG2 LYS 47 - HA LYS 40 far 0 33 0 - 9.1-10.4 QB ALA 22 - HA ARG 91 far 0 95 0 - 9.1-9.6 HD2 LYS 40 - HA GLU 43 far 0 97 0 - 9.2-10.1 HG LEU 38 - HA LYS 40 far 0 66 0 - 9.3-9.5 HD3 LYS 40 - HA GLU 43 far 0 96 0 - 9.5-10.3 HB2 LEU 38 - HA GLU 43 far 0 99 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 4018 from cnoeabs.peaks (2.49, 3.89, 59.16 ppm; 5.12 A): 2 out of 10 assignments used, quality = 1.00: * HD2 ARG 91 + HA ARG 91 OK 100 100 100 100 4.3-4.7 4.8=100 HG3 GLU 95 + HA ARG 91 OK 38 59 90 72 3.8-6.5 4.8/7524=28...(8) HB2 ASP 36 - HA GLU 35 far 0 92 0 - 5.6-6.6 HB3 ASP 36 - HA GLU 35 far 0 91 0 - 5.6-6.6 HB3 ASP 36 - HA LYS 40 far 0 56 0 - 6.0-8.0 HB2 ASP 36 - HA LYS 40 far 0 57 0 - 6.4-8.4 HB3 ASP 87 - HA ARG 91 far 0 99 0 - 7.0-8.4 HG3 GLU 98 - HA ARG 91 far 0 98 0 - 7.7-8.9 HG3 GLU 63 - HA GLU 35 far 0 77 0 - 7.7-9.2 HB2 ASP 87 - HA ARG 91 far 0 99 0 - 8.1-9.0 Violated in 0 structures by 0.00 A. Peak 4019 from cnoeabs.peaks (2.66, 3.89, 59.16 ppm; 5.15 A): 1 out of 9 assignments used, quality = 1.00: * HD3 ARG 91 + HA ARG 91 OK 100 100 100 100 3.9-4.8 4.8=100 HG3 MET 74 - HA GLU 43 far 3 58 5 - 5.2-7.0 HB3 TYR 41 - HA LYS 40 far 0 52 0 - 5.8-5.9 HB3 TYR 41 - HA GLU 43 far 0 85 0 - 7.6-7.8 HG3 MET 74 - HA LYS 40 far 0 33 0 - 7.7-9.4 HB3 TYR 41 - HA GLU 35 far 0 85 0 - 8.0-8.8 HD2 ARG 30 - HA LYS 40 far 0 64 0 - 8.9-11.9 HG3 MET 74 - HA GLU 35 far 0 58 0 - 9.1-12.1 HB3 ASP 65 - HA GLU 35 far 0 89 0 - 9.7-10.9 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 - 8.7-9.1 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 = 0.99: * H LYS 94 + HA ARG 91 OK 98 100 100 98 3.5-3.8 7502=51, 7473/3.6=51...(17) H PHE 45 + HA GLU 43 OK 48 99 50 97 4.1-4.8 6722/3.6=64, 6698/2.9=56...(7) H PHE 45 - HA LYS 40 far 0 67 0 - 6.8-7.3 H ALA 71 - HA GLU 35 far 0 99 0 - 8.2-8.8 H ALA 71 - HA GLU 43 far 0 99 0 - 9.8-10.4 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 17 assignments used, quality = 0.98: HB2 GLU 43 + HA GLU 43 OK 94 94 100 100 2.4-2.6 3.0=100 HB3 ARG 46 + HA GLU 43 OK 47 62 95 80 2.6-4.1 3.6/10171=27...(8) * HB2 LYS 94 + HA ARG 91 OK 24 100 35 67 2.8-4.9 7513/4021=21...(11) HB2 GLU 43 - HA LYS 40 far 0 60 0 - 4.5-5.0 HB VAL 32 - HA GLU 35 far 0 93 0 - 6.2-6.6 HG LEU 42 - HA LYS 40 far 0 50 0 - 6.4-6.8 HG LEU 42 - HA GLU 43 far 0 82 0 - 6.5-6.6 HB3 LYS 47 - HA GLU 43 far 0 99 0 - 6.8-7.6 HB2 LYS 33 - HA GLU 35 far 0 99 0 - 7.8-8.1 HG LEU 42 - HA GLU 35 far 0 82 0 - 7.9-8.5 HB3 ARG 46 - HA LYS 40 far 0 35 0 - 8.0-9.7 HB ILE 8 - HA GLU 35 far 0 81 0 - 8.2-9.2 HB2 GLU 17 - HA ARG 91 far 0 93 0 - 8.5-9.3 HB3 LYS 33 - HA GLU 35 far 0 99 0 - 8.7-8.9 HG3 GLU 88 - HA ARG 91 far 0 91 0 - 8.7-9.6 HB2 LYS 73 - HA GLU 43 far 0 66 0 - 9.8-12.6 HB VAL 54 - HA GLU 43 far 0 62 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 4023 from cnoeabs.peaks (2.02, 3.89, 59.16 ppm; 3.16 A increased from 2.97 A): 2 out of 17 assignments used, quality = 0.98: HB2 GLU 35 + HA GLU 35 OK 95 95 100 100 3.0-3.0 3.0=100 QE MET 74 + HA GLU 43 OK 49 89 65 85 2.8-3.9 12303/2.9=42, 9610=31...(10) ! HB3 LYS 94 - HA ARG 91 far 5 100 5 - 2.8-4.4 QE MET 74 - HA LYS 40 far 0 55 0 - 4.1-5.0 HB2 GLU 44 - HA GLU 43 far 0 88 0 - 5.7-5.8 HB3 GLU 44 - HA GLU 43 far 0 88 0 - 5.9-6.0 HB2 GLU 44 - HA LYS 40 far 0 54 0 - 6.3-6.9 HB3 GLU 44 - HA LYS 40 far 0 54 0 - 6.4-7.0 HB2 MET 21 - HA ARG 91 far 0 81 0 - 7.0-7.8 QE MET 74 - HA GLU 35 far 0 89 0 - 7.4-8.4 HG12 ILE 93 - HA ARG 91 far 0 96 0 - 7.8-8.3 HB2 GLU 98 - HA ARG 91 far 0 90 0 - 8.2-9.2 HB2 GLU 62 - HA GLU 35 far 0 99 0 - 8.5-9.8 HB3 GLU 48 - HA GLU 43 far 0 84 0 - 9.0-9.8 HB2 GLU 35 - HA LYS 40 far 0 61 0 - 9.5-10.2 HB3 GLU 17 - HA ARG 91 far 0 96 0 - 9.6-10.5 HB3 GLU 98 - HA ARG 91 far 0 91 0 - 9.7-10.8 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 3 assignments used, quality = 1.00: * HA GLU 88 + HB2 ARG 91 OK 100 100 100 100 3.7-4.2 4034/1.8=78, 3870=62...(17) HA LYS 90 - HB2 ARG 91 far 0 99 0 - 5.9-6.1 HB THR 80 - HD2 LYS 82 far 0 28 0 - 7.2-8.4 Violated in 1 structures by 0.00 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 2.5-2.8 7442=100, 7443/1.8=89...(17) H ILE 52 - HD2 LYS 53 far 0 44 0 - 6.1-7.1 HE3 TRP 92 - HB2 ARG 91 far 0 59 0 - 7.4-8.1 HZ2 TRP 92 - HB2 ARG 91 far 0 91 0 - 8.0-9.1 HZ2 TRP 92 - HD2 LYS 82 far 0 27 0 - 9.4-10.4 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 18 assignments used, quality = 1.00: * HA ARG 91 + HB2 ARG 91 OK 100 100 100 100 2.3-2.4 3.0=100 HA3 GLY 101 + HD2 LYS 53 OK 38 58 95 69 2.0-6.0 10101/1.8=16...(16) HA2 GLY 101 + HD2 LYS 53 OK 25 47 80 67 2.0-7.3 ~10101=15, ~12004=11...(17) HA2 GLY 100 - HD2 LYS 53 far 5 47 10 - 3.2-6.3 HA LYS 40 - HD2 LYS 40 far 0 32 0 - 4.3-4.8 HA LYS 40 - HD3 LYS 40 far 0 34 0 - 4.7-5.4 HA TYR 41 - HD3 LYS 40 far 0 20 0 - 5.0-5.5 HA LEU 38 - HD3 LYS 40 far 0 40 0 - 6.4-8.3 HB2 SER 102 - HD2 LYS 53 far 0 57 0 - 6.5-8.5 HA LEU 38 - HD2 LYS 40 far 0 38 0 - 6.5-8.3 HA ALA 89 - HB2 ARG 91 far 0 98 0 - 6.6-7.1 HA GLU 63 - HD2 LYS 82 far 0 24 0 - 7.7-8.8 HA LYS 94 - HB2 ARG 91 far 0 90 0 - 8.0-8.3 HB2 SER 85 - HB2 ARG 91 far 0 96 0 - 8.4-9.8 HA GLU 35 - HD2 LYS 40 far 0 42 0 - 8.6-10.3 HA GLU 35 - HD3 LYS 40 far 0 44 0 - 8.8-11.2 HA GLU 43 - HD2 LYS 40 far 0 41 0 - 9.2-10.1 HA GLU 43 - HD3 LYS 40 far 0 43 0 - 9.5-10.3 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): 2 out of 16 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 40 + HD2 LYS 40 OK 35 42 100 84 2.4-2.9 3.5=57, 2.9/1824=20...(13) HB2 LYS 40 - HD2 LYS 40 poor 18 22 85 - 2.4-3.3 HB3 LYS 53 - HD2 LYS 53 poor 12 58 20 - 2.6-3.8 HB3 LYS 40 - HD3 LYS 40 poor 11 44 25 - 2.8-3.7 HB2 LYS 40 - HD3 LYS 40 poor 7 23 30 - 2.4-3.7 HD3 LYS 90 - HB2 ARG 91 far 0 97 0 - 6.1-7.4 HB2 LEU 2 - HD2 LYS 53 far 0 49 0 - 7.1-7.9 HD3 LYS 68 - HD2 LYS 82 far 0 21 0 - 7.6-10.5 HB3 ARG 79 - HD2 LYS 53 far 0 40 0 - 7.8-9.6 HB ILE 52 - HD2 LYS 53 far 0 55 0 - 7.9-8.5 HD2 LYS 68 - HD2 LYS 82 far 0 21 0 - 7.9-10.6 HD2 LYS 39 - HD2 LYS 40 far 0 28 0 - 7.9-10.4 HD2 LYS 39 - HD3 LYS 40 far 0 29 0 - 8.5-11.4 HG2 PRO 86 - HB2 ARG 91 far 0 99 0 - 9.4-11.2 HB3 LEU 6 - HD3 LYS 40 far 0 24 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 4029 from cnoeabs.peaks (1.08, 1.49, 29.27 ppm; 3.65 A): 2 out of 4 assignments used, quality = 1.00: * HG2 ARG 91 + HB2 ARG 91 OK 100 100 100 100 2.2-3.0 2.8=100 HG2 LYS 82 + HD2 LYS 82 OK 30 30 100 100 2.4-2.5 2.9=100 HG12 ILE 52 - HD2 LYS 53 far 0 31 0 - 7.1-8.0 HB3 ARG 81 - HD2 LYS 82 far 0 28 0 - 8.3-9.0 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): 1 out of 12 assignments used, quality = 1.00: * HD2 ARG 91 + HB2 ARG 91 OK 100 100 100 100 2.3-3.4 3.5=100 HB2 ASP 61 - HD2 LYS 82 poor 15 26 60 - 4.6-5.4 HG3 GLU 95 - HB2 ARG 91 poor 15 59 25 - 4.6-7.8 HB3 ASP 87 - HB2 ARG 91 far 15 99 15 - 5.0-6.4 HB3 ASP 36 - HD2 LYS 40 far 3 34 10 - 4.8-6.9 HB2 ASP 36 - HD2 LYS 40 far 0 35 0 - 5.4-7.9 HB3 ASP 36 - HD3 LYS 40 far 0 36 0 - 5.7-8.4 HB2 ASP 36 - HD3 LYS 40 far 0 36 0 - 5.9-9.3 HB2 ASP 87 - HB2 ARG 91 far 0 99 0 - 6.0-7.2 HG3 GLU 63 - HD2 LYS 82 far 0 22 0 - 7.1-8.6 HG3 GLU 98 - HB2 ARG 91 far 0 98 0 - 9.8-11.1 HB3 TYR 4 - HD2 LYS 53 far 0 40 0 - 9.9-11.2 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 2.3-4.0 3.5=100 HD2 ARG 30 - HD3 LYS 40 far 0 41 0 - 5.4-10.1 HB3 ASP 77 - HD2 LYS 53 far 0 41 0 - 5.9-7.8 HB3 TYR 41 - HD3 LYS 40 far 0 33 0 - 6.0-7.2 HB3 ASN 51 - HD2 LYS 53 far 0 54 0 - 6.4-8.0 HB3 TYR 41 - HD2 LYS 40 far 0 32 0 - 6.5-7.7 HD2 ARG 30 - HD2 LYS 40 far 0 40 0 - 6.9-11.0 HB3 ASP 65 - HD2 LYS 82 far 0 27 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 4033 from cnoeabs.peaks (8.14, 1.49, 29.27 ppm; 4.34 A increased from 4.09 A): 1 out of 4 assignments used, quality = 1.00: * H TRP 92 + HB2 ARG 91 OK 100 100 100 100 4.0-4.1 4.3=100 H GLY 100 - HD2 LYS 53 far 3 58 5 - 4.5-7.4 H ASP 87 - HB2 ARG 91 far 0 100 0 - 7.2-7.8 H HIS 106 - HD2 LYS 53 far 0 50 0 - 8.8-15.1 Violated in 0 structures by 0.00 A. Peak 4034 from cnoeabs.peaks (3.66, 1.68, 29.27 ppm; 4.10 A): 1 out of 16 assignments used, quality = 1.00: * HA GLU 88 + HB3 ARG 91 OK 100 100 100 100 2.6-2.9 3871=75, 4024/1.8=74...(13) HA LYS 90 - HD3 LYS 90 far 0 83 0 - 4.6-4.8 HA LEU 14 - HG12 ILE 15 far 0 75 0 - 5.1-7.0 HA LEU 14 - HD3 LYS 90 far 0 70 0 - 5.2-8.1 HA LYS 90 - HB3 ARG 91 far 0 99 0 - 5.7-5.9 HA LEU 14 - HD2 LYS 13 far 0 42 0 - 5.7-7.8 HA LEU 14 - HD3 LYS 13 far 0 39 0 - 5.7-7.8 HA GLU 88 - HD3 LYS 90 far 0 86 0 - 6.1-7.2 HA LYS 90 - HD3 LYS 24 far 0 51 0 - 7.0-10.3 HA LEU 14 - HD2 LYS 20 far 0 85 0 - 7.1-8.8 HA LEU 14 - HD3 LYS 20 far 0 83 0 - 7.3-9.7 HA LYS 90 - HD3 LYS 20 far 0 95 0 - 7.4-10.3 HA LYS 90 - HD2 LYS 24 far 0 52 0 - 7.7-10.6 HA LYS 90 - HD2 LYS 20 far 0 97 0 - 8.0-10.4 HA LEU 14 - HD3 LYS 12 far 0 61 0 - 8.3-9.5 HA LEU 14 - HD2 LYS 12 far 0 61 0 - 8.5-10.2 Violated in 0 structures by 0.00 A. Peak 4035 from cnoeabs.peaks (7.47, 1.68, 29.27 ppm; 3.42 A): 1 out of 24 assignments used, quality = 1.00: * H ARG 91 + HB3 ARG 91 OK 100 100 100 100 2.3-2.5 7443=100, 7442/1.8=82...(17) H LYS 47 - HD2 LYS 47 far 15 100 15 - 3.2-4.7 H LYS 47 - HD3 LYS 47 far 5 100 5 - 3.7-4.5 H ARG 91 - HD3 LYS 90 far 0 86 0 - 4.6-5.4 HE ARG 19 - HG12 ILE 15 far 0 81 0 - 4.6-8.8 HE ARG 19 - HD3 LYS 12 far 0 67 0 - 5.0-12.7 HE ARG 46 - HD2 LYS 47 far 0 100 0 - 5.1-11.0 HE ARG 19 - HD3 LYS 20 far 0 89 0 - 5.2-10.3 HE ARG 46 - HD3 LYS 47 far 0 100 0 - 5.4-11.1 HE ARG 19 - HD2 LYS 20 far 0 91 0 - 5.8-9.4 HE3 TRP 92 - HB3 ARG 91 far 0 59 0 - 6.0-6.7 HE ARG 19 - HD2 LYS 12 far 0 67 0 - 6.3-11.6 HZ2 TRP 92 - HB3 ARG 91 far 0 91 0 - 6.4-7.4 HD22 ASN 26 - HD3 LYS 24 far 0 53 0 - 6.5-11.0 HD22 ASN 26 - HD2 LYS 24 far 0 55 0 - 7.1-10.6 HE ARG 46 - HD2 LYS 73 far 0 52 0 - 7.3-13.9 HE ARG 46 - HD3 LYS 73 far 0 50 0 - 7.4-13.2 HE22 GLN 72 - HD2 LYS 73 far 0 35 0 - 7.5-11.3 HE22 GLN 72 - HD3 LYS 73 far 0 33 0 - 7.7-11.1 HE ARG 46 - HD2 LYS 39 far 0 61 0 - 8.6-12.5 HE ARG 19 - HD2 LYS 24 far 0 47 0 - 9.3-15.3 HE ARG 19 - HD3 LYS 24 far 0 46 0 - 9.6-16.4 HE ARG 19 - HD3 LYS 13 far 0 44 0 - 9.6-16.1 H ARG 91 - HD3 LYS 24 far 0 54 0 - 9.7-13.2 Violated in 0 structures by 0.00 A. Peak 4036 from cnoeabs.peaks (3.89, 1.68, 29.27 ppm; 3.51 A): 3 out of 44 assignments used, quality = 1.00: * HA ARG 91 + HB3 ARG 91 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 12 + HD3 LYS 12 OK 44 47 95 99 2.3-3.8 384/3.0=36, 5.2=32...(38) HA LYS 12 + HD2 LYS 12 OK 40 47 85 99 2.4-4.0 384/3.0=36, 5.2=32...(38) HB3 SER 9 - HG12 ILE 15 poor 18 50 35 - 2.5-5.0 HA LYS 12 - HG12 ILE 15 far 0 59 0 - 3.9-4.9 HA GLU 43 - HD3 LYS 47 far 0 100 0 - 4.9-7.6 HA LYS 40 - HD2 LYS 39 far 0 48 0 - 5.0-7.1 HA ALA 89 - HB3 ARG 91 far 0 98 0 - 5.2-5.6 HA GLU 43 - HD2 LYS 47 far 0 100 0 - 5.6-7.9 HB3 SER 49 - HD2 LYS 47 far 0 75 0 - 6.0-9.7 HA GLU 35 - HD2 LYS 39 far 0 61 0 - 6.0-7.7 HB3 SER 9 - HD2 LYS 12 far 0 40 0 - 6.1-11.0 HB3 SER 9 - HD3 LYS 12 far 0 40 0 - 6.2-10.7 HA LYS 12 - HD2 LYS 13 far 0 32 0 - 6.2-8.2 HA ARG 91 - HD3 LYS 90 far 0 86 0 - 6.4-7.7 HA LYS 12 - HD3 LYS 13 far 0 30 0 - 6.4-8.4 HA LYS 94 - HD3 LYS 24 far 0 43 0 - 6.5-10.4 HA ALA 89 - HD3 LYS 90 far 0 81 0 - 6.5-7.6 HB2 SER 85 - HD3 LYS 90 far 0 79 0 - 7.1-9.3 HA LYS 94 - HD2 LYS 24 far 0 44 0 - 7.1-10.0 HA GLU 43 - HD2 LYS 39 far 0 60 0 - 7.4-8.6 HB3 SER 49 - HD3 LYS 47 far 0 75 0 - 7.6-9.6 HA LEU 38 - HD2 LYS 39 far 0 56 0 - 7.7-8.3 HA ALA 67 - HD2 LYS 39 far 0 35 0 - 7.8-10.1 HB2 SER 85 - HB3 ARG 91 far 0 96 0 - 7.8-9.1 HA TYR 41 - HD2 LYS 47 far 0 59 0 - 8.0-10.5 HA TYR 41 - HD3 LYS 47 far 0 59 0 - 8.1-9.5 HA LYS 94 - HB3 ARG 91 far 0 90 0 - 8.2-8.5 HA LYS 12 - HD2 LYS 20 far 0 68 0 - 8.2-9.8 HA GLU 43 - HD2 LYS 73 far 0 52 0 - 8.5-14.0 HA LYS 12 - HD3 LYS 20 far 0 66 0 - 8.8-11.0 HA LYS 40 - HD2 LYS 47 far 0 88 0 - 9.0-11.4 HA ARG 91 - HD2 LYS 24 far 0 55 0 - 9.1-13.1 HA ARG 91 - HD3 LYS 24 far 0 54 0 - 9.2-12.9 HA TYR 41 - HD2 LYS 39 far 0 29 0 - 9.2-10.3 HA LYS 40 - HD3 LYS 47 far 0 88 0 - 9.3-10.7 HA ALA 67 - HD2 LYS 73 far 0 30 0 - 9.6-11.1 HA LYS 94 - HD3 LYS 90 far 0 71 0 - 9.6-11.1 HA ALA 89 - HG12 ILE 15 far 0 86 0 - 9.7-10.8 HA LYS 40 - HD2 LYS 73 far 0 41 0 - 9.7-14.7 HA GLU 43 - HD3 LYS 73 far 0 49 0 - 9.8-14.0 HB3 SER 9 - HD2 LYS 13 far 0 27 0 - 9.8-12.2 HA ALA 67 - HD3 LYS 73 far 0 28 0 - 10.0-11.3 HB3 SER 9 - HD3 LYS 13 far 0 25 0 - 10.0-12.6 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 60 assignments used, quality = 1.00: * HB2 ARG 91 + HB3 ARG 91 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 47 + HD3 LYS 47 OK 92 100 100 92 2.3-2.6 3.0=55, 12088/12090=9...(62) HG2 LYS 47 + HD2 LYS 47 OK 50 100 55 91 2.3-3.0 3.0=55, 1.8/2175=13...(64) HG3 ARG 91 + HB3 ARG 91 OK 33 70 60 80 2.3-3.0 2.8=62, 4.8/7443=13...(9) HG2 LYS 73 + HD2 LYS 73 OK 32 51 70 88 2.3-3.0 3.0=56, 1.8/3278=9...(57) HG2 LYS 20 + HD3 LYS 20 OK 30 73 50 82 2.4-2.9 2.8=62, 883/5.3=7...(33) HG3 LYS 13 + HD3 LYS 13 OK 29 48 70 88 2.3-3.0 3.0=56, 1.8/523=9...(32) HG3 LYS 13 + HD2 LYS 13 OK 29 51 65 88 2.3-3.0 3.0=56, 1.8/523=9...(32) HG2 LYS 20 + HD2 LYS 20 OK 28 76 45 83 2.2-3.0 2.8=62, 883/5.3=7...(36) HG3 LYS 24 + HD2 LYS 24 OK 25 44 65 87 2.3-3.0 3.0=56, 1096/4.9=10...(38) HG2 LYS 73 + HD3 LYS 73 OK 23 49 55 87 2.4-3.0 3.0=56, 1.8/3278=9...(50) HG3 LYS 24 + HD3 LYS 24 OK 23 43 60 88 2.3-3.0 3.0=56, 1096/4.9=10...(45) HB ILE 7 - HG12 ILE 15 far 0 54 0 - 4.8-6.0 HG2 LYS 73 - HD2 LYS 39 far 0 60 0 - 4.8-9.7 HB2 LEU 14 - HG12 ILE 15 far 0 54 0 - 4.9-7.2 HG2 LYS 20 - HD3 LYS 24 far 0 36 0 - 5.3-10.4 HB2 LEU 38 - HD2 LYS 39 far 0 39 0 - 5.5-8.2 HG3 LYS 13 - HD3 LYS 12 far 0 73 0 - 5.8-7.4 HG2 LYS 20 - HD2 LYS 24 far 0 37 0 - 5.9-9.0 HG2 LYS 20 - HD3 LYS 90 far 0 61 0 - 6.0-10.5 HB2 ARG 91 - HD3 LYS 90 far 0 86 0 - 6.1-7.4 HB2 LEU 14 - HD2 LYS 13 far 0 29 0 - 6.2-8.2 HG3 LYS 33 - HG12 ILE 15 far 0 81 0 - 6.3-8.1 HB2 LEU 14 - HD3 LYS 13 far 0 27 0 - 6.4-8.4 HG3 LYS 13 - HD2 LYS 12 far 0 73 0 - 6.5-8.1 HG3 LYS 24 - HD3 LYS 20 far 0 84 0 - 7.0-12.0 HB2 LEU 14 - HD3 LYS 90 far 0 50 0 - 7.1-10.0 HG LEU 38 - HD2 LYS 39 far 0 43 0 - 7.4-9.1 HG3 LYS 24 - HD2 LYS 20 far 0 86 0 - 7.5-11.1 HG3 LYS 33 - HD2 LYS 12 far 0 67 0 - 7.6-10.8 HD2 LYS 40 - HD2 LYS 39 far 0 49 0 - 7.9-10.4 HG LEU 57 - HB3 ARG 91 far 0 96 0 - 8.0-8.4 HG3 LYS 13 - HG12 ILE 15 far 0 87 0 - 8.1-9.8 HG3 LYS 33 - HD3 LYS 12 far 0 67 0 - 8.1-10.5 HG2 LYS 20 - HD3 LYS 13 far 0 34 0 - 8.1-13.0 HB2 LEU 14 - HD2 LYS 12 far 0 43 0 - 8.1-10.7 HB2 LEU 14 - HD3 LYS 12 far 0 43 0 - 8.2-9.7 HG3 ARG 91 - HD3 LYS 90 far 0 53 0 - 8.3-9.8 HD3 LYS 40 - HD2 LYS 39 far 0 50 0 - 8.5-11.4 HG3 LYS 13 - HD2 LYS 20 far 0 96 0 - 8.6-10.1 HG13 ILE 52 - HD3 LYS 47 far 0 79 0 - 8.7-11.3 HG3 LYS 13 - HD3 LYS 20 far 0 95 0 - 8.7-11.5 HG2 LYS 20 - HD2 LYS 13 far 0 36 0 - 8.7-13.4 HB2 LEU 27 - HD2 LYS 24 far 0 37 0 - 8.8-11.3 HG LEU 57 - HG12 ILE 15 far 0 84 0 - 9.0-10.3 HG LEU 57 - HD3 LYS 90 far 0 79 0 - 9.0-11.0 HB2 LEU 38 - HD2 LYS 73 far 0 33 0 - 9.3-12.7 HG2 LYS 66 - HD2 LYS 73 far 0 52 0 - 9.4-12.9 HB2 LEU 14 - HD2 LYS 20 far 0 62 0 - 9.4-11.0 HB2 LEU 27 - HD3 LYS 24 far 0 36 0 - 9.4-11.8 HG2 LYS 20 - HD2 LYS 12 far 0 53 0 - 9.4-13.7 HG3 LYS 66 - HD2 LYS 39 far 0 60 0 - 9.5-11.7 HG3 LYS 66 - HD2 LYS 73 far 0 51 0 - 9.6-12.5 HB2 LEU 14 - HD3 LYS 20 far 0 61 0 - 9.7-12.0 HG2 LYS 20 - HD3 LYS 12 far 0 53 0 - 9.7-14.1 HB ILE 7 - HD3 LYS 90 far 0 50 0 - 9.8-12.1 HG2 LYS 20 - HG12 ILE 15 far 0 66 0 - 9.8-11.9 HB ILE 7 - HD3 LYS 12 far 0 43 0 - 9.9-12.6 HB ILE 7 - HD3 LYS 20 far 0 61 0 - 9.9-12.7 HG2 LYS 66 - HD3 LYS 73 far 0 49 0 - 9.9-13.4 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): 1 out of 8 assignments used, quality = 1.00: * HG2 ARG 91 + HB3 ARG 91 OK 100 100 100 100 2.3-3.0 2.8=100 HG12 ILE 76 - HD2 LYS 73 far 0 49 0 - 6.6-10.3 HG12 ILE 76 - HD3 LYS 73 far 0 47 0 - 7.2-10.4 HG12 ILE 76 - HD2 LYS 39 far 0 58 0 - 8.4-10.7 HB3 ARG 81 - HB3 ARG 91 far 0 92 0 - 8.5-9.5 HG2 ARG 91 - HD3 LYS 90 far 0 86 0 - 8.7-9.8 HG12 ILE 52 - HD3 LYS 47 far 0 65 0 - 9.1-11.4 HG12 ILE 76 - HD2 LYS 47 far 0 98 0 - 9.4-13.0 Violated in 0 structures by 0.00 A. Peak 4040 from cnoeabs.peaks (1.45, 1.68, 29.27 ppm; 2.44 A): 10 out of 59 assignments used, quality = 1.00: HB2 ARG 91 + HB3 ARG 91 OK 70 70 100 100 1.8-1.8 1.8=100 HG2 LYS 47 + HD3 LYS 47 OK 54 59 100 91 2.3-2.6 3.0=56, 1.8/2175=8...(60) * HG3 ARG 91 + HB3 ARG 91 OK 49 100 60 82 2.3-3.0 2.8=63, 4.8/7443=13...(9) HG2 LYS 20 + HD3 LYS 20 OK 45 97 55 84 2.4-2.9 2.8=63, 848/5.3=10...(34) HG2 LYS 12 + HD3 LYS 12 OK 39 75 55 93 2.3-3.0 3.0=55, 463/3.0=23...(50) HG2 LYS 12 + HD2 LYS 12 OK 38 75 55 93 2.3-3.0 3.0=55, 463/3.0=23...(50) HG2 LYS 20 + HD2 LYS 20 OK 38 98 45 86 2.2-3.0 2.8=63, 848/5.3=10...(36) HG2 LYS 47 + HD2 LYS 47 OK 29 59 55 90 2.3-3.0 3.0=56, 1.8/2175=13...(62) HG3 LYS 39 + HD2 LYS 39 OK 28 58 50 96 2.5-3.0 3.0=56, 1720/1.8=37...(39) HG2 LYS 13 + HD3 LYS 13 OK 24 40 65 91 2.3-3.0 3.0=57, 474/2.9=9...(51) HG2 LYS 13 - HD2 LYS 13 poor 19 43 45 - 2.3-3.0 HG12 ILE 7 - HG12 ILE 15 far 0 67 0 - 5.0-5.8 HG2 LYS 20 - HD3 LYS 24 far 0 53 0 - 5.3-10.4 HB2 LEU 38 - HD2 LYS 39 far 0 61 0 - 5.5-8.2 HG3 LYS 39 - HD2 LYS 73 far 0 49 0 - 5.6-10.3 HG2 LYS 12 - HG12 ILE 15 far 0 89 0 - 5.7-6.4 QB ALA 22 - HD3 LYS 20 far 0 90 0 - 5.8-8.6 HG2 LYS 20 - HD2 LYS 24 far 0 54 0 - 5.9-9.0 QB ALA 22 - HD2 LYS 24 far 0 48 0 - 5.9-7.9 HG2 LYS 20 - HD3 LYS 90 far 0 85 0 - 6.0-10.5 HB2 ARG 91 - HD3 LYS 90 far 0 53 0 - 6.1-7.4 QB ALA 22 - HD3 LYS 24 far 0 47 0 - 6.2-8.6 HG3 LYS 39 - HD3 LYS 73 far 0 47 0 - 6.6-11.1 QB ALA 22 - HD2 LYS 20 far 0 92 0 - 6.8-8.7 HG2 LYS 13 - HD3 LYS 12 far 0 63 0 - 6.9-8.9 HG2 LYS 12 - HD2 LYS 13 far 0 53 0 - 7.3-9.6 HG2 LYS 13 - HD2 LYS 12 far 0 63 0 - 7.4-9.5 HG LEU 38 - HD2 LYS 39 far 0 60 0 - 7.4-9.1 HG2 LYS 12 - HD3 LYS 13 far 0 50 0 - 7.5-9.9 HG LEU 29 - HG12 ILE 15 far 0 82 0 - 7.6-9.0 HG13 ILE 76 - HD2 LYS 73 far 0 46 0 - 7.9-12.0 HG13 ILE 76 - HD2 LYS 47 far 0 95 0 - 7.9-11.4 HG2 LYS 13 - HD2 LYS 20 far 0 86 0 - 7.9-10.6 HD2 LYS 40 - HD2 LYS 39 far 0 57 0 - 7.9-10.4 HG2 LYS 20 - HD3 LYS 13 far 0 50 0 - 8.1-13.0 QB ALA 22 - HD3 LYS 90 far 0 77 0 - 8.3-9.6 HG3 ARG 91 - HD3 LYS 90 far 0 86 0 - 8.3-9.8 HG13 ILE 76 - HD3 LYS 73 far 0 44 0 - 8.4-12.1 HG2 LYS 13 - HD3 LYS 20 far 0 84 0 - 8.5-12.2 HD3 LYS 40 - HD2 LYS 39 far 0 56 0 - 8.5-11.4 QB ALA 22 - HG12 ILE 15 far 0 82 0 - 8.5-9.5 HG13 ILE 76 - HD3 LYS 47 far 0 96 0 - 8.7-11.2 HG13 ILE 52 - HD3 LYS 47 far 0 100 0 - 8.7-11.3 HG2 LYS 20 - HD2 LYS 13 far 0 53 0 - 8.7-13.4 HB2 LEU 27 - HD2 LYS 24 far 0 54 0 - 8.8-11.3 HG2 LYS 13 - HG12 ILE 15 far 0 76 0 - 8.9-10.6 HG2 LYS 12 - HD2 LYS 20 far 0 98 0 - 8.9-11.4 HG12 ILE 7 - HD3 LYS 90 far 0 63 0 - 9.0-11.4 HG2 LYS 12 - HD3 LYS 20 far 0 96 0 - 9.0-13.0 HB2 LEU 38 - HD2 LYS 73 far 0 52 0 - 9.3-12.7 HG LEU 29 - HD3 LYS 20 far 0 90 0 - 9.3-12.8 HG13 ILE 76 - HD2 LYS 39 far 0 54 0 - 9.4-11.7 HG2 LYS 66 - HD2 LYS 73 far 0 25 0 - 9.4-12.9 HB2 LEU 27 - HD3 LYS 24 far 0 53 0 - 9.4-11.8 HG2 LYS 20 - HD2 LYS 12 far 0 76 0 - 9.4-13.7 HG2 LYS 13 - HD3 LYS 90 far 0 71 0 - 9.5-12.5 HG2 LYS 20 - HD3 LYS 12 far 0 76 0 - 9.7-14.1 HG2 LYS 20 - HG12 ILE 15 far 0 90 0 - 9.8-11.9 HG2 LYS 66 - HD3 LYS 73 far 0 23 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 4041 from cnoeabs.peaks (2.49, 1.68, 29.27 ppm; 4.62 A): 1 out of 17 assignments used, quality = 1.00: * HD2 ARG 91 + HB3 ARG 91 OK 100 100 100 100 2.0-2.9 3.5=100 HG3 GLU 95 - HB3 ARG 91 poor 15 59 25 - 4.6-7.0 HB2 ASP 87 - HD3 LYS 90 far 4 82 5 - 4.4-6.1 HB3 ASP 87 - HD3 LYS 90 far 0 82 0 - 5.1-6.1 HB3 ASP 87 - HB3 ARG 91 far 0 99 0 - 5.2-6.5 HG3 GLU 23 - HD2 LYS 24 far 0 54 0 - 5.4-9.2 HB2 ASP 36 - HD2 LYS 39 far 0 52 0 - 5.6-8.7 HB3 ASP 36 - HD2 LYS 39 far 0 51 0 - 6.0-8.8 HB2 ASP 87 - HB3 ARG 91 far 0 99 0 - 6.2-7.4 HG3 GLU 23 - HD3 LYS 24 far 0 53 0 - 6.3-10.4 HG3 GLU 23 - HD3 LYS 20 far 0 97 0 - 6.3-9.3 HG3 GLU 23 - HD2 LYS 20 far 0 98 0 - 7.8-9.1 HG3 GLU 98 - HD3 LYS 24 far 0 49 0 - 7.8-13.3 HD2 ARG 91 - HD3 LYS 90 far 0 86 0 - 8.4-9.7 HG3 GLU 98 - HD2 LYS 24 far 0 51 0 - 9.1-12.7 HB2 ASP 87 - HD2 LYS 13 far 0 51 0 - 9.5-12.9 HB2 ASP 87 - HD3 LYS 13 far 0 48 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 4042 from cnoeabs.peaks (2.66, 1.68, 29.27 ppm; 4.78 A): 1 out of 8 assignments used, quality = 1.00: * HD3 ARG 91 + HB3 ARG 91 OK 100 100 100 100 2.7-3.4 3.5=100 HG3 MET 74 - HD2 LYS 73 poor 9 25 35 - 2.6-7.9 HG3 MET 74 - HD3 LYS 73 poor 7 23 30 - 3.4-8.1 HG3 MET 74 - HD2 LYS 39 far 4 29 15 - 4.2-7.3 HD3 ARG 91 - HD3 LYS 90 far 0 86 0 - 8.3-9.8 HB3 TYR 41 - HD2 LYS 39 far 0 47 0 - 9.1-9.5 HB3 ASP 65 - HD2 LYS 73 far 0 42 0 - 9.6-13.3 HB3 ASP 65 - HD3 LYS 73 far 0 40 0 - 9.8-13.6 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 2.8-3.0 7458=100, 7448/7443=69...(10) H ASP 87 + HD3 LYS 90 OK 63 85 75 98 3.7-5.4 2.9/10315=32, ~10316=31...(21) H TRP 92 - HD3 LYS 90 far 0 86 0 - 6.9-7.4 H ASP 87 - HB3 ARG 91 far 0 100 0 - 7.1-7.5 H ASP 87 - HD2 LYS 13 far 0 53 0 - 8.3-11.1 H ASP 87 - HD3 LYS 13 far 0 50 0 - 8.7-11.3 H ASP 87 - HD3 LYS 20 far 0 97 0 - 9.5-12.6 H ASP 87 - HD2 LYS 20 far 0 98 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 4044 from cnoeabs.peaks (7.47, 1.08, 26.80 ppm; 4.77 A increased from 4.49 A): 2 out of 7 assignments used, quality = 1.00: * H ARG 91 + HG2 ARG 91 OK 100 100 100 100 4.4-4.6 4.8=100 HE ARG 46 + HG12 ILE 76 OK 48 96 50 99 3.8-6.2 3.6/10176=50, ~9020=49...(15) HE3 TRP 92 - HG2 ARG 91 far 3 59 5 - 5.1-7.2 HZ2 TRP 92 - HG2 ARG 91 far 0 91 0 - 5.8-8.7 H LYS 47 - HG12 ILE 76 far 0 96 0 - 7.7-8.7 HE22 GLN 72 - HG12 ILE 76 far 0 72 0 - 8.9-10.1 H ILE 52 - HG12 ILE 76 far 0 80 0 - 9.3-10.4 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 7 assignments used, quality = 1.00: * HA ARG 91 + HG2 ARG 91 OK 100 100 100 100 2.5-3.6 4.0=100 HB3 SER 49 - HG12 ILE 76 far 0 68 0 - 5.9-7.7 HA GLU 43 - HG12 ILE 76 far 0 95 0 - 6.5-7.1 HA ALA 89 - HG2 ARG 91 far 0 98 0 - 6.7-8.1 HA LYS 94 - HG2 ARG 91 far 0 90 0 - 7.1-8.8 HA ALA 67 - HG12 ILE 76 far 0 63 0 - 9.7-10.3 HB2 SER 85 - HG2 ARG 91 far 0 96 0 - 10.0-11.8 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 5 assignments used, quality = 1.00: * HB2 ARG 91 + HG2 ARG 91 OK 100 100 100 100 2.2-3.0 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 - 7.2-8.3 HG LEU 57 - HG2 ARG 91 far 0 96 0 - 8.8-10.5 HG2 LYS 47 - HG12 ILE 76 far 0 95 0 - 9.2-11.7 Violated in 0 structures by 0.00 A. Peak 4047 from cnoeabs.peaks (1.68, 1.08, 26.80 ppm; 3.66 A): 2 out of 10 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 2.4-2.5 3.0=100 HD2 LYS 73 - HG12 ILE 76 far 0 90 0 - 6.6-10.3 HB3 LEU 70 - HG12 ILE 76 far 0 65 0 - 6.8-7.6 HD3 LYS 73 - HG12 ILE 76 far 0 88 0 - 7.2-10.4 HD2 LYS 39 - HG12 ILE 76 far 0 73 0 - 8.4-10.7 HD3 LYS 90 - HG2 ARG 91 far 0 97 0 - 8.7-9.8 HB ILE 52 - HG12 ILE 76 far 0 92 0 - 9.1-10.6 HG LEU 70 - HG12 ILE 76 far 0 89 0 - 9.2-10.1 HD2 LYS 47 - HG12 ILE 76 far 0 96 0 - 9.4-13.0 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 5 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 46 70 70 94 2.2-3.0 2.8=75, 3.0/4016=24...(21) HG3 LYS 39 - HG12 ILE 76 far 0 93 0 - 7.7-9.5 HG2 LYS 47 - HG12 ILE 76 far 0 53 0 - 9.2-11.7 Violated in 0 structures by 0.00 A. Peak 4050 from cnoeabs.peaks (2.49, 1.08, 26.80 ppm; 3.88 A): 2 out of 5 assignments used, quality = 1.00: * HD2 ARG 91 + HG2 ARG 91 OK 100 100 100 100 2.5-3.0 2.9=100 HG3 GLU 95 + HG2 ARG 91 OK 27 59 70 66 2.6-5.3 4.8/9631=15, 10040=15...(12) HB3 ASP 87 - HG2 ARG 91 far 0 99 0 - 6.6-8.8 HB2 ASP 87 - HG2 ARG 91 far 0 99 0 - 8.0-9.6 HG3 GLU 98 - HG2 ARG 91 far 0 98 0 - 8.3-10.3 Violated in 0 structures by 0.00 A. Peak 4051 from cnoeabs.peaks (2.66, 1.08, 26.80 ppm; 3.96 A): 1 out of 4 assignments used, quality = 1.00: * HD3 ARG 91 + HG2 ARG 91 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 MET 74 - HG12 ILE 76 far 8 53 15 - 4.1-5.0 HB3 ASP 77 - HG12 ILE 76 far 0 75 0 - 7.1-7.6 HB3 TYR 41 - HG12 ILE 76 far 0 80 0 - 9.9-10.4 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 3.7-4.8 7459=100, 7458/2.8=90...(10) H ASP 87 - HG2 ARG 91 far 0 100 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 4053 from cnoeabs.peaks (7.47, 1.45, 26.80 ppm; 4.52 A increased from 4.02 A): 3 out of 11 assignments used, quality = 1.00: * H ARG 91 + HG3 ARG 91 OK 100 100 100 100 4.3-4.5 7442/2.8=90, 7443/2.8=90...(11) HE ARG 46 + HG13 ILE 76 OK 76 90 85 100 3.3-5.2 3.6/10177=56...(16) H ILE 52 + HG13 ILE 52 OK 44 44 100 100 4.3-4.6 5.1=71, 6860/3.0=66...(12) HE ARG 19 - HG LEU 29 far 10 67 15 - 4.4-8.2 HE3 TRP 92 - HG3 ARG 91 far 3 59 5 - 4.7-6.9 HZ2 TRP 92 - HG3 ARG 91 far 0 91 0 - 6.0-8.4 H LYS 47 - HG13 ILE 76 far 0 90 0 - 6.2-7.2 HE22 GLN 72 - HG LEU 64 far 0 35 0 - 7.1-8.9 H LYS 47 - HG13 ILE 52 far 0 57 0 - 7.3-7.8 H ILE 52 - HG13 ILE 76 far 0 72 0 - 7.9-9.1 HE22 GLN 72 - HG LEU 38 far 0 64 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 4054 from cnoeabs.peaks (3.89, 1.45, 26.80 ppm; 3.62 A): 3 out of 21 assignments used, quality = 1.00: * HA ARG 91 + HG3 ARG 91 OK 100 100 100 100 2.5-3.5 4.0=74, 4016/1.8=65...(23) HA LEU 38 + HG LEU 38 OK 83 83 100 100 3.7-3.7 3.7=96, 1659/2.1=52...(22) HA ALA 67 + HG LEU 38 OK 30 56 100 53 2.5-3.3 ~9526=26, 1659/2.1=22...(7) HA GLU 35 - HG LEU 38 far 0 89 0 - 4.0-4.7 HB3 SER 49 - HG13 ILE 76 far 0 62 0 - 4.2-6.0 HA GLU 43 - HG13 ILE 76 far 0 89 0 - 5.8-6.4 HA GLU 63 - HG LEU 38 far 0 69 0 - 6.0-6.8 HA ALA 89 - HG3 ARG 91 far 0 98 0 - 6.7-8.0 HA ALA 67 - HG LEU 64 far 0 29 0 - 6.9-7.3 HA GLU 63 - HG LEU 64 far 0 38 0 - 7.0-7.1 HA LYS 94 - HG3 ARG 91 far 0 90 0 - 7.0-8.2 HB3 SER 49 - HG13 ILE 52 far 0 36 0 - 7.7-8.4 HA3 GLY 101 - HG13 ILE 52 far 0 56 0 - 9.0-11.1 HA TYR 41 - HG LEU 38 far 0 47 0 - 9.0-9.4 HA ALA 89 - HG LEU 29 far 0 71 0 - 9.0-9.6 HB2 SER 102 - HG13 ILE 52 far 0 56 0 - 9.1-16.3 HA LYS 40 - HG LEU 38 far 0 73 0 - 9.3-9.5 HA2 GLY 100 - HG13 ILE 52 far 0 46 0 - 9.4-11.3 HA2 GLY 101 - HG13 ILE 52 far 0 46 0 - 9.4-11.5 HB2 SER 85 - HG3 ARG 91 far 0 96 0 - 9.8-11.7 HB3 SER 9 - HG LEU 29 far 0 40 0 - 9.9-10.5 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): 4 out of 34 assignments used, quality = 1.00: * HB3 ARG 91 + HG3 ARG 91 OK 100 100 100 100 2.3-3.0 2.8=100 HB ILE 52 + HG13 ILE 52 OK 53 53 100 100 2.4-2.7 3.0=100 HB ILE 76 + HG13 ILE 76 OK 49 49 100 100 3.0-3.0 3.0=100 HB2 LEU 2 + HG13 ILE 52 OK 43 48 100 90 1.9-2.5 3.1/12039=39...(14) HD2 LYS 68 - HG LEU 64 poor 15 34 45 - 2.2-5.1 HD3 LYS 68 - HG LEU 64 poor 8 33 25 - 2.3-5.0 HB3 LEU 6 - HG LEU 38 far 0 56 0 - 5.1-5.8 HB3 LEU 70 - HG LEU 38 far 0 57 0 - 5.2-6.0 HB3 LYS 53 - HG13 ILE 52 far 0 57 0 - 5.3-6.1 HG LEU 70 - HG LEU 38 far 0 81 0 - 5.6-6.7 HB3 LEU 6 - HG LEU 29 far 0 46 0 - 6.0-6.5 HD2 LYS 39 - HG LEU 38 far 0 66 0 - 7.4-9.1 HB ILE 52 - HG13 ILE 76 far 0 85 0 - 7.5-9.1 HG12 ILE 15 - HG LEU 29 far 0 73 0 - 7.6-9.0 HD2 LYS 73 - HG13 ILE 76 far 0 83 0 - 7.9-12.0 HD3 LYS 66 - HG LEU 38 far 0 78 0 - 7.9-8.9 HD2 LYS 47 - HG13 ILE 76 far 0 90 0 - 7.9-11.4 HB3 LEU 70 - HG13 ILE 76 far 0 58 0 - 8.1-8.9 HB2 LYS 40 - HG LEU 38 far 0 52 0 - 8.3-8.6 HD3 LYS 66 - HG LEU 64 far 0 44 0 - 8.3-9.0 HD3 LYS 90 - HG3 ARG 91 far 0 97 0 - 8.3-9.8 HD3 LYS 73 - HG13 ILE 76 far 0 81 0 - 8.4-12.1 HD3 LYS 47 - HG13 ILE 76 far 0 90 0 - 8.7-11.2 HD3 LYS 47 - HG13 ILE 52 far 0 57 0 - 8.7-11.3 HB ILE 76 - HG13 ILE 52 far 0 28 0 - 8.8-10.2 HB3 ARG 79 - HG LEU 64 far 0 36 0 - 8.9-10.4 HD3 LYS 20 - HG LEU 29 far 0 74 0 - 9.3-12.8 HB ILE 76 - HG LEU 38 far 0 49 0 - 9.3-9.9 HD2 LYS 39 - HG13 ILE 76 far 0 66 0 - 9.4-11.7 HG3 LYS 20 - HG LEU 29 far 0 74 0 - 9.5-11.8 HB3 LYS 40 - HG LEU 38 far 0 89 0 - 9.5-10.2 HG LEU 70 - HG LEU 64 far 0 46 0 - 9.7-10.5 HD2 LYS 68 - HG LEU 38 far 0 62 0 - 9.8-11.4 HD3 LYS 68 - HG LEU 38 far 0 61 0 - 9.8-11.2 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 7 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 - 5.9-6.5 HG12 ILE 52 - HG13 ILE 76 far 0 53 0 - 7.2-8.7 HB3 ARG 81 - HG LEU 64 far 0 43 0 - 7.6-8.2 HB3 ARG 81 - HG3 ARG 91 far 0 92 0 - 8.6-11.0 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 2.4-3.0 2.9=100 HG3 GLU 95 + HG3 ARG 91 OK 25 59 80 53 2.0-6.0 10040/1.8=21...(7) HB3 TYR 4 - HG13 ILE 52 far 0 39 0 - 5.5-6.4 HB3 TYR 4 - HG LEU 29 far 0 54 0 - 6.2-7.0 HB2 ASP 61 - HG LEU 64 far 0 40 0 - 6.4-7.0 HG3 GLU 23 - HG LEU 29 far 0 76 0 - 7.3-7.6 HB3 ASP 87 - HG3 ARG 91 far 0 99 0 - 7.5-8.7 HG3 GLU 98 - HG3 ARG 91 far 0 98 0 - 8.0-10.2 HB2 ASP 87 - HG3 ARG 91 far 0 99 0 - 8.2-9.7 HG3 GLU 63 - HG LEU 38 far 0 64 0 - 8.3-9.3 HG3 GLU 63 - HG LEU 64 far 0 35 0 - 8.7-9.0 HB2 ASP 36 - HG LEU 38 far 0 78 0 - 8.9-9.9 HB3 ASP 36 - HG LEU 38 far 0 77 0 - 9.1-10.0 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 13 assignments used, quality = 1.00: * HD3 ARG 91 + HG3 ARG 91 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 ARG 30 - HG LEU 29 far 0 73 0 - 5.0-8.0 HG3 MET 74 - HG13 ILE 76 far 0 48 0 - 5.3-6.1 HB3 ASP 65 - HG LEU 64 far 0 42 0 - 5.7-5.9 HB3 ASN 51 - HG13 ILE 52 far 0 53 0 - 5.8-6.5 HB3 TYR 41 - HG LEU 38 far 0 72 0 - 6.2-6.7 HB3 ASP 77 - HG13 ILE 76 far 0 68 0 - 6.5-7.3 HB3 ASP 77 - HG13 ILE 52 far 0 40 0 - 7.3-9.0 HG3 MET 74 - HG LEU 38 far 0 47 0 - 8.1-11.2 HB3 TYR 41 - HG LEU 29 far 0 60 0 - 9.2-9.6 HB3 ASP 65 - HG LEU 38 far 0 76 0 - 9.4-10.2 HD2 ARG 30 - HG13 ILE 52 far 0 54 0 - 10.0-12.7 HB3 TYR 41 - HG13 ILE 76 far 0 72 0 - 10.0-10.3 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 3.7-4.6 7458/2.8=82, 7459/1.8=77...(9) H ASP 87 - HG3 ARG 91 far 0 100 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 4062 from cnoeabs.peaks (7.47, 2.49, 43.24 ppm; 5.01 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 91 + HD2 ARG 91 OK 100 100 100 100 4.1-5.0 7442/3.5=90, 7443/3.5=90...(17) HZ2 TRP 92 - HD2 ARG 91 far 9 91 10 - 5.2-7.4 HE3 TRP 92 - HD2 ARG 91 far 6 59 10 - 5.2-7.8 Violated in 2 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 4.3-4.7 4.8=100 HA ALA 89 - HD2 ARG 91 far 0 98 0 - 5.8-8.2 HB2 SER 85 - HD2 ARG 91 far 0 96 0 - 8.6-9.6 HA LYS 94 - HD2 ARG 91 far 0 90 0 - 9.0-10.2 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 2.3-3.4 3.5=100 HG3 ARG 91 + HD2 ARG 91 OK 70 70 100 100 2.4-3.0 2.9=100 HG LEU 57 - HD2 ARG 91 far 0 96 0 - 8.0-11.1 Violated in 0 structures by 0.00 A. Peak 4065 from cnoeabs.peaks (1.68, 2.49, 43.24 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ARG 91 + HD2 ARG 91 OK 100 100 100 100 2.0-2.9 3.5=100 HD3 LYS 90 - HD2 ARG 91 far 0 97 0 - 8.4-9.7 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 2.5-3.0 2.9=100 HB3 ARG 81 - HD2 ARG 91 far 0 92 0 - 8.0-11.4 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 2.4-3.0 2.9=100 HB2 ARG 91 + HD2 ARG 91 OK 69 70 100 100 2.3-3.4 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 3.2-5.6 7458/3.5=92, 4061/2.9=86...(7) H ASP 87 - HD2 ARG 91 far 0 100 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 4071 from cnoeabs.peaks (7.47, 2.66, 43.24 ppm; 5.23 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 91 + HD3 ARG 91 OK 100 100 100 100 4.8-5.1 7442/3.5=93, 7443/3.5=93...(16) HZ2 TRP 92 - HD3 ARG 91 far 14 91 15 - 5.2-9.1 HE3 TRP 92 - HD3 ARG 91 far 6 59 10 - 3.9-8.9 Violated in 0 structures by 0.00 A. Peak 4072 from cnoeabs.peaks (3.89, 2.66, 43.24 ppm; 5.23 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 91 + HD3 ARG 91 OK 100 100 100 100 3.9-4.8 4.8=100 HA ALA 89 - HD3 ARG 91 far 0 98 0 - 6.4-8.9 HA LYS 94 - HD3 ARG 91 far 0 90 0 - 7.8-9.9 HB2 SER 85 - HD3 ARG 91 far 0 96 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 4073 from cnoeabs.peaks (1.49, 2.66, 43.24 ppm; 3.59 A): 2 out of 3 assignments used, quality = 0.97: * HB2 ARG 91 + HD3 ARG 91 OK 90 100 90 100 2.3-4.0 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 - 8.0-11.6 Violated in 0 structures by 0.00 A. Peak 4074 from cnoeabs.peaks (1.68, 2.66, 43.24 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 91 + HD3 ARG 91 OK 100 100 100 100 2.7-3.4 3.5=100 HD3 LYS 90 - HD3 ARG 91 far 0 97 0 - 8.3-9.8 HB3 ARG 79 - HD3 ARG 91 far 0 81 0 - 9.6-15.6 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 2.4-3.0 2.9=100 HB3 ARG 81 - HD3 ARG 91 far 0 92 0 - 7.7-12.3 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 62 70 90 99 2.3-4.0 3.5=96, 4067/1.8=29...(23) 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 HG3 GLU 95 - HD3 ARG 91 far 3 59 5 - 2.8-8.1 HB3 ASP 87 - HD3 ARG 91 far 0 99 0 - 5.9-8.5 HB2 ASP 87 - HD3 ARG 91 far 0 99 0 - 7.0-9.9 HG3 GLU 98 - HD3 ARG 91 far 0 98 0 - 9.7-11.9 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 3.2-6.0 7458/3.5=96, 4061/2.9=92...(7) H ASP 87 - HD3 ARG 91 far 0 100 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 4080 from cnoeabs.peaks (8.14, 4.82, 58.66 ppm; 5.55 A): 1 out of 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 - 8.9-10.3 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 3.0-3.0 3.0=100 HB2 PHE 96 - HA TRP 92 far 0 100 0 - 4.8-6.0 HD3 ARG 79 - HA TRP 92 far 0 82 0 - 8.0-10.2 HD2 ARG 79 - HA TRP 92 far 0 79 0 - 9.6-10.8 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 2.5-2.7 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 4.2-4.5 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): 2 out of 3 assignments used, quality = 1.00: * HE3 TRP 92 + HA TRP 92 OK 100 100 100 100 2.3-2.6 4.8=100 H ARG 91 + HA TRP 92 OK 59 59 100 100 5.1-5.3 7467/2.9=100...(6) H ALA 89 - HA TRP 92 far 0 100 0 - 7.0-7.3 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 3.4-3.8 7525=98, 7543/7546=52...(7) 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 3.4-3.8 7525=98, 7543/7546=52...(7) Violated in 0 structures by 0.00 A. Peak 4092 from cnoeabs.peaks (2.20, 4.82, 58.66 ppm; 4.68 A increased from 4.16 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 95 + HA TRP 92 OK 100 100 100 100 2.5-4.6 4284=100, 1.8/4292=75...(8) HG2 GLU 99 - HA TRP 92 far 0 95 0 - 7.1-9.5 Violated in 0 structures by 0.00 A. Peak 4093 from cnoeabs.peaks (2.16, 4.82, 58.66 ppm; 4.58 A increased from 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 95 + HA TRP 92 OK 100 100 100 100 2.5-4.6 4292=84, 1.8/4284=79...(9) HG2 GLU 88 - HA TRP 92 far 0 95 0 - 7.6-9.1 Violated in 1 structures by 0.00 A. Peak 4094 from cnoeabs.peaks (3.90, 3.10, 29.79 ppm; 5.29 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 89 + HB2 TRP 92 OK 100 100 100 100 2.3-2.7 3905=100, 4106/1.8=85...(10) HA ARG 91 - HB2 TRP 92 far 0 98 0 - 5.6-5.7 HB2 SER 102 - HB2 HIS 105 far 0 59 0 - 6.3-10.8 HA LYS 94 - HB2 TRP 92 far 0 68 0 - 7.6-8.0 HA2 GLY 101 - HB2 HIS 105 far 0 34 0 - 7.6-13.9 HA3 GLY 101 - HB2 HIS 105 far 0 59 0 - 8.3-13.7 HB2 SER 85 - HB2 TRP 92 far 0 100 0 - 9.3-10.5 HA2 GLY 100 - HB2 HIS 105 far 0 34 0 - 9.8-16.9 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 4 assignments used, quality = 1.00: * H TRP 92 + HB2 TRP 92 OK 100 100 100 100 2.2-2.3 4.0=100 H HIS 106 + HB2 HIS 105 OK 43 52 100 81 2.4-4.4 4.7=72, 11097/1.8=33 H ASP 87 - HB2 TRP 92 far 0 100 0 - 8.7-9.2 H GLY 100 - HB2 HIS 105 far 0 61 0 - 9.6-17.8 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 3.0-3.0 3.0=100 HA VAL 83 - HB2 TRP 92 far 0 90 0 - 7.3-7.9 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 3 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 - 4.0-6.6 HB2 ASP 77 - HB2 HIS 105 far 0 56 0 - 8.3-21.0 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 1 assignment used, quality = 1.00: * HD1 TRP 92 + HB2 TRP 92 OK 100 100 100 100 2.5-2.6 3.9=100 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 4.2-4.2 4.2=100 H ALA 89 + HB2 TRP 92 OK 99 100 100 99 4.5-5.0 3.0/3905=73...(8) H ARG 91 + HB2 TRP 92 OK 54 59 100 91 4.5-4.8 7467/7464=76...(5) HD22 ASN 26 - HB2 HIS 105 far 0 31 0 - 6.7-30.2 Violated in 0 structures by 0.00 A. Peak 4105 from cnoeabs.peaks (8.36, 3.10, 29.79 ppm; 5.13 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 93 + HB2 TRP 92 OK 100 100 100 100 2.5-3.0 4.5=100 H GLU 95 - HB2 TRP 92 far 0 100 0 - 5.5-5.9 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 7 assignments used, quality = 1.00: * HA ALA 89 + HB3 TRP 92 OK 100 100 100 100 3.7-4.2 3906=100, 3905/1.8=92...(10) HB2 SER 102 - HB2 HIS 106 far 4 83 5 - 4.9-13.7 HA ARG 91 - HB3 TRP 92 far 0 98 0 - 6.5-6.6 HA LYS 94 - HB3 TRP 92 far 0 68 0 - 7.6-7.9 HA3 GLY 101 - HB2 HIS 106 far 0 82 0 - 8.4-16.4 HA2 GLY 101 - HB2 HIS 106 far 0 50 0 - 8.4-17.7 HA2 GLY 101 - HB3 TRP 92 far 0 68 0 - 9.1-14.7 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 3.5-3.6 4.0=100 H HIS 106 + HB2 HIS 106 OK 75 75 100 100 2.2-4.0 4.0=100 H GLY 100 - HB3 TRP 92 far 0 100 0 - 9.6-11.0 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 2.5-2.7 3.0=100 HA VAL 83 - HB3 TRP 92 far 0 90 0 - 8.0-8.6 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 9 assignments used, quality = 1.00: * HB2 TRP 92 + HB3 TRP 92 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 105 - HB2 HIS 106 far 0 67 0 - 4.0-6.6 HB3 HIS 105 - HB2 HIS 106 far 0 49 0 - 4.6-7.2 HB2 PHE 96 - HB3 TRP 92 far 0 100 0 - 4.6-5.8 HB3 ASN 26 - HB2 HIS 106 far 0 52 0 - 5.0-31.0 HD3 ARG 79 - HB3 TRP 92 far 0 82 0 - 7.3-9.8 HD3 ARG 79 - HB2 HIS 106 far 0 63 0 - 8.4-22.2 HD2 ARG 79 - HB2 HIS 106 far 0 60 0 - 8.6-21.1 HD2 ARG 79 - HB3 TRP 92 far 0 79 0 - 8.8-10.0 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 1 assignment used, quality = 1.00: * HD1 TRP 92 + HB3 TRP 92 OK 100 100 100 100 3.6-3.7 3.9=100 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 4 assignments used, quality = 1.00: * HE3 TRP 92 + HB3 TRP 92 OK 100 100 100 100 2.8-3.0 4.2=100 HD22 ASN 26 - HB2 HIS 106 far 0 47 0 - 5.6-32.4 H ARG 91 - HB3 TRP 92 far 0 59 0 - 6.0-6.3 H ALA 89 - HB3 TRP 92 far 0 100 0 - 6.2-6.7 Violated in 0 structures by 0.00 A. Peak 4117 from cnoeabs.peaks (8.36, 3.19, 29.79 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 93 + HB3 TRP 92 OK 100 100 100 100 3.2-3.7 4.5=100 H GLU 95 - HB3 TRP 92 far 0 100 0 - 5.2-5.8 Violated in 0 structures by 0.00 A. Peak 4118 from cnoeabs.peaks (8.36, 3.54, 66.22 ppm; 4.16 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 93 + HA ILE 93 OK 100 100 100 100 2.8-2.9 3.0=100 H GLU 95 + HA ILE 93 OK 39 100 40 98 4.3-5.0 7528/3.6=65...(8) H TYR 4 - HA ILE 93 far 0 100 0 - 7.9-8.8 Violated in 0 structures by 0.00 A. Peak 4119 from cnoeabs.peaks (3.54, 3.54, 66.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + HA ILE 93 OK 100 100 - 100 Peak 4120 from cnoeabs.peaks (1.80, 3.54, 66.22 ppm; 4.31 A): 1 out of 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 - 7.2-7.9 HB3 LYS 90 - HA ILE 93 far 0 75 0 - 7.5-7.8 HB2 LYS 90 - HA ILE 93 far 0 99 0 - 7.9-8.3 HB2 LYS 53 - HA ILE 93 far 0 61 0 - 9.6-10.3 HB2 GLU 88 - HA ILE 93 far 0 100 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 4121 from cnoeabs.peaks (0.75, 3.54, 66.22 ppm; 3.07 A): 2 out of 9 assignments used, quality = 1.00: * QG2 ILE 93 + HA ILE 93 OK 100 100 100 100 2.3-2.4 3.2=89, 3.2/4122=34...(28) HG13 ILE 93 + HA ILE 93 OK 98 100 100 98 2.4-2.9 4.0=46, 1.8/4122=46...(22) QG1 VAL 5 - HA ILE 93 far 0 87 0 - 3.6-4.2 QD1 ILE 93 - HA ILE 93 far 0 93 0 - 3.7-3.9 QD1 LEU 27 - HA ILE 93 far 0 94 0 - 3.8-4.4 QD2 LEU 27 - HA ILE 93 far 0 91 0 - 6.3-6.9 HG3 ARG 81 - HA ILE 93 far 0 99 0 - 7.8-10.1 QG1 VAL 54 - HA ILE 93 far 0 99 0 - 7.9-8.6 QD1 LEU 6 - HA ILE 93 far 0 92 0 - 9.9-10.5 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 7 assignments used, quality = 1.00: * HG12 ILE 93 + HA ILE 93 OK 100 100 100 100 2.6-3.1 4.0=93, 2.1/4163=68...(19) HB3 LYS 94 - HA ILE 93 far 0 96 0 - 5.6-6.0 HB2 MET 21 - HA ILE 93 far 0 98 0 - 6.4-7.2 HB2 GLU 99 - HA ILE 93 far 0 100 0 - 7.6-10.8 HB2 GLU 98 - HA ILE 93 far 0 100 0 - 7.9-9.0 HB3 GLU 99 - HA ILE 93 far 0 100 0 - 9.1-10.6 HB3 GLU 98 - HA ILE 93 far 0 100 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 4123 from cnoeabs.peaks (0.74, 3.54, 66.22 ppm; 3.07 A): 2 out of 10 assignments used, quality = 1.00: QG2 ILE 93 + HA ILE 93 OK 99 100 100 100 2.3-2.4 3.2=89, 3.2/4122=34...(28) * HG13 ILE 93 + HA ILE 93 OK 98 100 100 98 2.4-2.9 4.0=46, 1.8/4122=46...(22) QG1 VAL 5 - HA ILE 93 far 0 95 0 - 3.6-4.2 QD1 ILE 93 - HA ILE 93 far 0 84 0 - 3.7-3.9 QD1 LEU 27 - HA ILE 93 far 0 85 0 - 3.8-4.4 QD2 LEU 27 - HA ILE 93 far 0 97 0 - 6.3-6.9 HG3 ARG 81 - HA ILE 93 far 0 100 0 - 7.8-10.1 QG1 VAL 54 - HA ILE 93 far 0 94 0 - 7.9-8.6 QD2 LEU 14 - HA ILE 93 far 0 68 0 - 9.6-10.3 QD1 LEU 6 - HA ILE 93 far 0 82 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 4124 from cnoeabs.peaks (0.77, 3.54, 66.22 ppm; 3.25 A): 2 out of 9 assignments used, quality = 0.99: QG2 ILE 93 + HA ILE 93 OK 93 93 100 100 2.3-2.4 3.2=100 HG13 ILE 93 + HA ILE 93 OK 83 84 100 99 2.4-2.9 4.0=55, 1.8/4122=53...(22) ! QD1 ILE 93 - HA ILE 93 far 0 100 0 - 3.7-3.9 QD1 LEU 27 - HA ILE 93 far 0 100 0 - 3.8-4.4 QD2 LEU 57 - HA ILE 93 far 0 84 0 - 4.5-5.6 HG3 ARG 81 - HA ILE 93 far 0 77 0 - 7.8-10.1 QG1 VAL 54 - HA ILE 93 far 0 99 0 - 7.9-8.6 QG2 ILE 7 - HA ILE 93 far 0 79 0 - 8.7-9.1 QD1 LEU 6 - HA ILE 93 far 0 100 0 - 9.9-10.5 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 3 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 - 8.1-8.7 H GLU 23 - HA ILE 93 far 0 98 0 - 8.6-9.1 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 3.3-3.8 7547=100, 7557/4127=61...(11) H SER 97 + HA ILE 93 OK 94 100 95 100 4.0-4.6 7565=81, 7571/4127=57...(10) H LEU 27 - HA ILE 93 far 0 79 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 4127 from cnoeabs.peaks (3.10, 3.54, 66.22 ppm; 4.07 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PHE 96 + HA ILE 93 OK 100 100 100 100 2.5-3.0 4325=88, 1.8/4128=73...(17) HB2 TRP 92 - HA ILE 93 far 0 100 0 - 4.4-4.8 HD3 ARG 79 - HA ILE 93 far 0 85 0 - 7.5-10.8 HD2 ARG 79 - HA ILE 93 far 0 82 0 - 9.1-11.4 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 3.0-4.1 4334=95, 1.8/4127=79...(14) 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 2.8-3.1 9947/3.2=67...(15) HA GLU 88 - HB ILE 93 far 0 99 0 - 8.3-8.6 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 2 assignments used, quality = 1.00: * H ILE 93 + HB ILE 93 OK 100 100 100 100 2.4-2.6 7493=100, 7495/3.0=54...(15) H GLU 95 - HB ILE 93 far 0 100 0 - 4.8-5.4 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 2.5-2.8 3.0=100 QD1 ILE 93 + HB ILE 93 OK 92 93 100 99 2.0-2.3 3.2=81, 4163/3.0=30...(19) QG1 VAL 5 - HB ILE 93 far 0 87 0 - 4.7-5.3 QD1 LEU 27 - HB ILE 93 far 0 94 0 - 4.9-5.5 QD2 LEU 27 - HB ILE 93 far 0 91 0 - 7.5-8.1 QG1 VAL 54 - HB ILE 93 far 0 99 0 - 9.8-10.5 HG3 ARG 81 - HB ILE 93 far 0 99 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 4134 from cnoeabs.peaks (2.04, 1.80, 37.57 ppm; 3.84 A): 3 out of 6 assignments used, quality = 1.00: * HG12 ILE 93 + HB ILE 93 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 MET 21 + HB ILE 93 OK 72 98 75 99 3.6-4.3 3.0/10011=45, ~10013=44...(15) HB3 LYS 94 + HB ILE 93 OK 28 96 35 84 4.1-4.6 7509/7507=62, ~12249=31...(8) HB3 GLU 17 - HB ILE 93 far 0 75 0 - 8.1-8.8 HB2 GLU 98 - HB ILE 93 far 0 100 0 - 8.8-10.0 HB2 GLU 99 - HB ILE 93 far 0 100 0 - 10.0-13.1 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 2.5-2.8 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 98 2.0-2.3 3.2=81, 4163/3.0=26...(19) QG1 VAL 5 - HB ILE 93 far 0 95 0 - 4.7-5.3 QD1 LEU 27 - HB ILE 93 far 0 85 0 - 4.9-5.5 QD2 LEU 27 - HB ILE 93 far 0 97 0 - 7.5-8.1 QD2 LEU 14 - HB ILE 93 far 0 68 0 - 8.9-9.4 QG1 VAL 54 - HB ILE 93 far 0 94 0 - 9.8-10.5 HG3 ARG 81 - HB ILE 93 far 0 100 0 - 9.8-11.4 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 100 100 100 100 2.0-2.3 3.2=92, 4163/3.0=36...(19) 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 2.5-2.8 3.0=100 QD1 LEU 27 - HB ILE 93 far 0 100 0 - 4.9-5.5 QD2 LEU 57 - HB ILE 93 far 0 84 0 - 5.7-7.2 QG2 ILE 7 - HB ILE 93 far 0 79 0 - 8.5-8.9 QG1 VAL 54 - HB ILE 93 far 0 99 0 - 9.8-10.5 HG3 ARG 81 - HB ILE 93 far 0 77 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 4137 from cnoeabs.peaks (8.26, 1.80, 37.57 ppm; 3.95 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 94 + HB ILE 93 OK 100 100 100 100 2.4-2.8 7507=100, 7508/2.1=76...(16) H GLU 23 - HB ILE 93 far 0 98 0 - 6.9-7.4 H LEU 27 - HB ILE 93 far 0 88 0 - 7.9-8.7 Violated in 0 structures by 0.00 A. Peak 4138 from cnoeabs.peaks (8.36, 0.75, 17.00 ppm; 4.49 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 93 + QG2 ILE 93 OK 100 100 100 100 3.8-3.8 4.0=100 H GLU 95 - QG2 ILE 93 far 0 100 0 - 4.8-5.4 H TYR 4 - QG2 ILE 93 far 0 100 0 - 6.9-7.6 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 2.3-2.4 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 - 5.6-5.9 HB2 LYS 90 - QG2 ILE 93 far 0 99 0 - 6.5-6.8 HB3 LEU 57 - QG2 ILE 93 far 0 91 0 - 7.1-7.5 HB2 LYS 53 - QG2 ILE 93 far 0 61 0 - 9.2-9.8 HB2 GLU 88 - QG2 ILE 93 far 0 100 0 - 9.3-9.9 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): 2 out of 10 assignments used, quality = 1.00: * HG12 ILE 93 + QG2 ILE 93 OK 100 100 100 100 2.0-2.4 3.2=100 HB2 MET 21 + QG2 ILE 93 OK 53 98 55 100 3.6-4.2 1.8/10013=62...(21) HB3 LYS 94 - QG2 ILE 93 far 0 96 0 - 4.1-4.7 HB2 GLU 98 - QG2 ILE 93 far 0 100 0 - 7.2-8.3 HB2 GLU 99 - QG2 ILE 93 far 0 100 0 - 7.9-10.5 HB3 GLU 17 - QG2 ILE 93 far 0 75 0 - 8.0-8.5 HB3 GLU 98 - QG2 ILE 93 far 0 100 0 - 8.6-9.3 HG3 GLU 28 - QG2 ILE 93 far 0 84 0 - 8.7-10.0 HG2 GLU 28 - QG2 ILE 93 far 0 84 0 - 8.8-10.4 HB3 GLU 99 - QG2 ILE 93 far 0 100 0 - 9.2-10.3 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): 1 out of 3 assignments used, quality = 1.00: * H LYS 94 + QG2 ILE 93 OK 100 100 100 100 3.2-3.6 4.3=100 H GLU 23 - QG2 ILE 93 far 5 98 5 - 4.6-5.1 H LEU 27 - QG2 ILE 93 far 0 88 0 - 4.7-5.4 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 3.4-4.0 7495=100, 7493/3.0=81...(13) H GLU 95 - HG12 ILE 93 far 0 100 0 - 6.5-7.4 H TYR 4 - HG12 ILE 93 far 0 100 0 - 8.4-9.2 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 2.6-3.1 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 2.9-3.0 3.0=100 HB3 LEU 57 - HG12 ILE 93 far 0 91 0 - 5.8-6.4 HB3 LYS 90 - HG12 ILE 93 far 0 75 0 - 7.0-7.5 HB2 LYS 90 - HG12 ILE 93 far 0 99 0 - 7.6-8.1 HB2 GLU 88 - HG12 ILE 93 far 0 100 0 - 9.3-10.0 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 10 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 2.0-2.4 3.2=87, 3.2/4122=33...(16) 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 60 87 100 69 2.0-2.8 10198=31, 8195/9266=17...(7) QD1 LEU 27 - HG12 ILE 93 far 0 94 0 - 4.7-5.1 QD2 LEU 27 - HG12 ILE 93 far 0 91 0 - 7.0-7.6 QG1 VAL 54 - HG12 ILE 93 far 0 99 0 - 7.5-8.4 HG3 ARG 81 - HG12 ILE 93 far 0 99 0 - 9.0-10.6 QD1 LEU 6 - HG12 ILE 93 far 0 92 0 - 9.0-9.6 QG1 VAL 58 - HG12 ILE 93 far 0 77 0 - 9.9-10.4 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 11 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 2.0-2.4 3.2=87, 3.2/4122=33...(16) 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 69 95 100 73 2.0-2.8 10198=35, 8195/9266=20...(9) QD1 LEU 27 - HG12 ILE 93 far 0 85 0 - 4.7-5.1 QD2 LEU 27 - HG12 ILE 93 far 0 97 0 - 7.0-7.6 QG1 VAL 54 - HG12 ILE 93 far 0 94 0 - 7.5-8.4 QD2 LEU 14 - HG12 ILE 93 far 0 68 0 - 7.8-8.5 HG3 ARG 81 - HG12 ILE 93 far 0 100 0 - 9.0-10.6 QD1 LEU 6 - HG12 ILE 93 far 0 82 0 - 9.0-9.6 QG1 VAL 58 - HG12 ILE 93 far 0 88 0 - 9.9-10.4 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 9 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 2.0-2.4 3.2=94, 3.2/4122=36...(16) HG13 ILE 93 + HG12 ILE 93 OK 84 84 100 100 1.8-1.8 1.8=100 QD2 LEU 57 - HG12 ILE 93 far 0 84 0 - 4.0-6.0 QD1 LEU 27 - HG12 ILE 93 far 0 100 0 - 4.7-5.1 QG2 ILE 7 - HG12 ILE 93 far 0 79 0 - 6.4-6.9 QG1 VAL 54 - HG12 ILE 93 far 0 99 0 - 7.5-8.4 HG3 ARG 81 - HG12 ILE 93 far 0 77 0 - 9.0-10.6 QD1 LEU 6 - HG12 ILE 93 far 0 100 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 4153 from cnoeabs.peaks (8.26, 2.04, 30.82 ppm; 6.50 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 94 + HG12 ILE 93 OK 100 100 100 100 5.0-5.2 7507/3.0=100...(10) H GLU 23 - HG12 ILE 93 far 5 98 5 - 6.5-7.7 H LEU 27 - HG12 ILE 93 far 0 88 0 - 7.5-8.3 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 2.0-2.6 4.6=100 H GLU 95 - HG13 ILE 93 far 0 100 0 - 5.8-6.4 H TYR 4 - HG13 ILE 93 far 0 100 0 - 9.1-10.5 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 2.4-2.9 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 2.5-2.8 3.0=100 HB3 LEU 57 - HG13 ILE 93 far 0 91 0 - 5.4-5.9 HB3 LYS 90 - HG13 ILE 93 far 0 75 0 - 6.1-7.1 HB2 LYS 90 - HG13 ILE 93 far 0 99 0 - 6.4-7.4 HB2 GLU 88 - HG13 ILE 93 far 0 100 0 - 7.7-8.6 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 5 assignments used, quality = 1.00: * HG12 ILE 93 + HG13 ILE 93 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 MET 21 - HG13 ILE 93 far 0 98 0 - 4.8-6.0 HB3 LYS 94 - HG13 ILE 93 far 0 96 0 - 6.3-6.9 HB3 GLU 17 - HG13 ILE 93 far 0 75 0 - 8.0-8.7 HB2 GLU 99 - HG13 ILE 93 far 0 100 0 - 9.9-13.2 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 2.6-3.6 7495/2.1=79, 7493/3.2=69...(20) H GLU 95 - QD1 ILE 93 far 0 100 0 - 5.8-6.8 H TYR 4 - QD1 ILE 93 far 0 100 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 4163 from cnoeabs.peaks (3.54, 0.77, 14.14 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + QD1 ILE 93 OK 100 100 100 100 3.7-3.9 4.2=88, 4122/2.1=72...(19) Violated in 0 structures by 0.00 A. Peak 4164 from cnoeabs.peaks (1.80, 0.77, 14.14 ppm; 3.42 A): 1 out of 5 assignments used, quality = 1.00: * HB ILE 93 + QD1 ILE 93 OK 100 100 100 100 2.0-2.3 3.2=100 HB3 LYS 90 - QD1 ILE 93 far 0 75 0 - 4.0-4.9 HB2 LYS 90 - QD1 ILE 93 far 0 99 0 - 4.5-5.5 HB3 LEU 57 - QD1 ILE 93 far 0 91 0 - 4.9-5.6 HB2 GLU 88 - QD1 ILE 93 far 0 100 0 - 6.4-7.5 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 8 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 96 98 100 98 2.2-3.2 770/8480=31, 8559=29...(24) HB3 GLU 17 - QD1 ILE 93 far 0 75 0 - 5.2-5.7 HB3 LYS 94 - QD1 ILE 93 far 0 96 0 - 5.2-6.0 HB2 GLU 16 - QD1 ILE 93 far 0 61 0 - 7.9-8.4 HB2 GLU 98 - QD1 ILE 93 far 0 100 0 - 9.6-10.6 HG3 GLU 28 - QD1 ILE 93 far 0 84 0 - 9.9-12.0 HG2 GLU 28 - QD1 ILE 93 far 0 84 0 - 9.9-12.0 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 4.0-4.6 7507/3.2=82, 7510/3.1=81...(15) H GLU 23 - QD1 ILE 93 far 5 98 5 - 5.0-6.1 H LEU 27 - QD1 ILE 93 far 0 88 0 - 6.9-7.9 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 2.8-2.9 3.0=100 H LEU 27 - HA LYS 94 far 0 88 0 - 7.8-8.8 H GLU 23 - HA LYS 94 far 0 98 0 - 8.5-9.2 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 8 assignments used, quality = 1.00: * HB2 LYS 94 + HA LYS 94 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 14 - HA LYS 12 far 0 58 0 - 5.3-5.5 HB2 LYS 13 - HA LYS 12 far 0 68 0 - 5.5-5.7 HB3 LYS 13 - HA LYS 12 far 0 67 0 - 6.5-6.6 HB3 ARG 19 - HA LYS 12 far 0 68 0 - 7.5-8.2 HB2 ARG 19 - HA LYS 12 far 0 46 0 - 8.8-9.4 HB2 GLU 17 - HA LYS 12 far 0 59 0 - 9.3-10.0 HB3 LYS 33 - HA LYS 12 far 0 68 0 - 9.7-10.9 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 2.3-2.9 3.0=100 HB2 GLU 98 - HA LYS 94 far 0 90 0 - 4.8-6.3 HB3 GLU 98 - HA LYS 94 far 0 91 0 - 6.5-7.5 HG12 ILE 93 - HA LYS 94 far 0 96 0 - 6.5-6.6 HB2 MET 21 - HA LYS 94 far 0 81 0 - 6.8-7.5 HB2 GLU 99 - HA LYS 94 far 0 91 0 - 7.4-10.5 HB3 GLU 17 - HA LYS 12 far 0 62 0 - 7.7-8.5 HB3 GLU 99 - HA LYS 94 far 0 96 0 - 8.4-10.1 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 3.7-3.8 3.7=100 QB ALA 25 + HA LYS 94 OK 96 100 100 96 3.0-3.6 10334=58, 10320/12249=41...(9) HG LEU 14 - HA LYS 12 far 0 66 0 - 7.2-7.6 HB3 LEU 27 - HA LYS 94 far 0 100 0 - 7.8-9.0 QB ALA 89 - HA LYS 94 far 0 100 0 - 8.2-8.6 QB ALA 89 - HA LYS 12 far 0 69 0 - 8.6-9.0 Violated in 0 structures by 0.00 A. Peak 4175 from cnoeabs.peaks (1.38, 3.87, 59.89 ppm; 3.83 A increased from 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 94 + HA LYS 94 OK 100 100 100 100 2.7-3.8 3.7=100 HG LEU 14 - HA LYS 12 far 0 45 0 - 7.2-7.6 HB3 LEU 27 - HA LYS 94 far 0 63 0 - 7.8-9.0 Violated in 0 structures by 0.00 A. Peak 4176 from cnoeabs.peaks (1.62, 3.87, 59.89 ppm; 3.96 A): 2 out of 6 assignments used, quality = 0.65: HG3 LYS 12 + HA LYS 12 OK 46 46 100 100 3.6-3.7 3.7=100 * HD2 LYS 94 + HA LYS 94 OK 35 100 35 100 3.6-4.8 4.7=58, 4191/3.0=32...(41) HD3 LYS 94 - HA LYS 94 far 4 84 5 - 4.2-5.5 HG LEU 27 - HA LYS 94 far 0 84 0 - 6.1-6.9 HG2 ARG 19 - HA LYS 12 far 0 34 0 - 6.2-9.0 HG2 LYS 24 - HA LYS 94 far 0 61 0 - 7.6-9.4 Violated in 0 structures by 0.00 A. Peak 4177 from cnoeabs.peaks (1.60, 3.87, 59.89 ppm; 3.95 A): 2 out of 7 assignments used, quality = 0.78: HG3 LYS 12 + HA LYS 12 OK 69 69 100 100 3.6-3.7 3.7=100 HD2 LYS 94 + HA LYS 94 OK 29 84 35 100 3.6-4.8 4.7=58, 4192/3.0=27...(41) ! HD3 LYS 94 - HA LYS 94 far 5 100 5 - 4.2-5.5 HG LEU 27 - HA LYS 94 far 0 100 0 - 6.1-6.9 HG2 ARG 19 - HA LYS 12 far 0 64 0 - 6.2-9.0 HG2 LYS 24 - HA LYS 94 far 0 98 0 - 7.6-9.4 HG3 LYS 90 - HA LYS 94 far 0 97 0 - 8.1-8.9 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 8 assignments used, quality = 1.00: * HE2 LYS 94 + HA LYS 94 OK 100 100 100 100 3.9-6.7 6.0=100 HE3 LYS 94 + HA LYS 94 OK 99 99 100 100 3.8-6.4 6.0=100 HG2 MET 21 + HA LYS 94 OK 92 92 100 100 5.7-6.7 10012/12249=85, ~995=82...(9) HE3 LYS 13 - HA LYS 12 far 2 35 5 - 5.7-9.4 HB2 ASN 10 - HA LYS 12 far 0 67 0 - 7.4-8.1 HE2 LYS 20 - HA LYS 12 far 0 67 0 - 7.8-11.9 HE3 LYS 20 - HA LYS 12 far 0 68 0 - 9.1-12.7 HE3 LYS 90 - HA LYS 94 far 0 96 0 - 9.2-11.5 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 7 assignments used, quality = 1.00: * HE3 LYS 94 + HA LYS 94 OK 100 100 100 100 3.8-6.4 6.0=100 HE2 LYS 94 + HA LYS 94 OK 99 99 100 100 3.9-6.7 6.0=100 HG2 MET 21 + HA LYS 94 OK 79 79 100 100 5.7-6.7 ~995=82, ~966=77...(9) HB2 ASN 10 - HA LYS 12 far 0 61 0 - 7.4-8.1 HE2 LYS 20 - HA LYS 12 far 0 69 0 - 7.8-11.9 HE3 LYS 20 - HA LYS 12 far 0 69 0 - 9.1-12.7 HE3 LYS 90 - HA LYS 94 far 0 85 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 4180 from cnoeabs.peaks (8.36, 3.87, 59.89 ppm; 4.56 A): 1 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 far 0 100 0 - 5.1-5.4 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 3.2-4.0 7566=100, 4350/4349=53...(8) H PHE 96 + HA LYS 94 OK 98 100 100 98 3.9-4.4 7544/3.6=68, 7522/3.0=65...(7) H LEU 27 - HA LYS 94 far 0 85 0 - 7.8-8.8 Violated in 0 structures by 0.00 A. Peak 4182 from cnoeabs.peaks (3.95, 3.87, 59.89 ppm; 4.10 A increased from 3.64 A): 2 out of 4 assignments used, quality = 1.00: * HB2 SER 97 + HA LYS 94 OK 99 100 100 99 3.4-4.1 4349=89, 1.8/4355=66...(6) HB3 SER 97 + HA LYS 94 OK 65 68 100 96 3.2-4.3 1.8/4349=72, 4.1/7566=47...(7) HB3 SER 9 - HA LYS 12 far 0 54 0 - 5.4-7.5 HD3 PRO 86 - HA LYS 12 far 0 50 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 4183 from cnoeabs.peaks (3.98, 3.87, 59.89 ppm; 4.30 A increased from 4.05 A): 2 out of 4 assignments used, quality = 1.00: * HB3 SER 97 + HA LYS 94 OK 100 100 100 100 3.2-4.3 4355=88, 1.8/4349=78...(7) HB2 SER 97 + HA LYS 94 OK 66 68 100 98 3.4-4.1 1.8/4355=73, 4349=58...(6) HA GLU 95 - HA LYS 94 far 0 59 0 - 4.7-4.8 HD3 PRO 86 - HA LYS 12 far 0 67 0 - 9.4-10.0 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 10 assignments used, quality = 0.92: HA LYS 94 + HB2 LYS 94 OK 90 90 100 100 2.2-3.0 3.0=100 * HA ARG 91 + HB2 LYS 94 OK 28 100 35 80 2.8-4.9 4021/7513=30...(11) HB2 SER 102 - HB2 MET 1 far 2 44 5 - 2.1-14.2 HA2 GLY 100 - HB2 MET 1 far 0 35 0 - 4.7-7.1 HA3 GLY 101 - HB2 MET 1 far 0 44 0 - 5.3-9.5 HA2 GLY 101 - HB2 MET 1 far 0 35 0 - 6.0-10.6 HB3 SER 49 - HB3 LYS 47 far 0 65 0 - 6.4-7.0 HA GLU 43 - HB3 LYS 47 far 0 93 0 - 6.8-7.6 HA ALA 89 - HB2 LYS 94 far 0 98 0 - 7.8-10.0 HA TYR 41 - HB3 LYS 47 far 0 51 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 4185 from cnoeabs.peaks (8.26, 1.92, 32.23 ppm; 3.81 A increased from 3.58 A): 1 out of 7 assignments used, quality = 1.00: * H LYS 94 + HB2 LYS 94 OK 100 100 100 100 2.2-3.6 7513=100, 7514/1.8=90...(12) H LEU 103 - HB2 MET 1 far 2 34 5 - 3.3-14.3 H PHE 45 - HB3 LYS 47 far 0 93 0 - 5.3-5.9 H GLU 23 - HB3 LYS 20 far 0 92 0 - 5.3-5.9 H GLU 23 - HB2 LYS 94 far 0 98 0 - 8.9-10.8 H LEU 27 - HB2 LYS 94 far 0 88 0 - 9.2-11.2 H LYS 94 - HB3 LYS 20 far 0 96 0 - 9.6-11.2 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 11 assignments used, quality = 1.00: * HA LYS 94 + HB2 LYS 94 OK 100 100 100 100 2.2-3.0 3.0=100 HA ARG 91 + HB2 LYS 94 OK 23 90 35 72 2.8-4.9 4021/7513=22...(11) HB2 SER 102 - HB2 MET 1 far 2 30 5 - 2.1-14.2 HA2 GLY 100 - HB2 MET 1 far 0 44 0 - 4.7-7.1 HA3 GLY 101 - HB2 MET 1 far 0 31 0 - 5.3-9.5 HA2 GLY 101 - HB2 MET 1 far 0 44 0 - 6.0-10.6 HB3 SER 49 - HB3 LYS 47 far 0 91 0 - 6.4-7.0 HA ALA 22 - HB2 LYS 94 far 0 59 0 - 6.8-8.6 HA GLU 43 - HB3 LYS 47 far 0 85 0 - 6.8-7.6 HA ALA 22 - HB3 LYS 20 far 0 53 0 - 7.3-7.9 HA ALA 89 - HB2 LYS 94 far 0 68 0 - 7.8-10.0 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 21 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 - 3.8-4.7 HB2 MET 21 - HB3 LYS 20 far 0 73 0 - 4.0-5.4 HB2 GLU 98 - HB2 LYS 94 far 0 90 0 - 5.3-7.0 HB3 GLU 44 - HB3 LYS 47 far 0 79 0 - 5.9-6.4 HB3 GLU 17 - HB3 LYS 20 far 0 89 0 - 5.9-8.1 HB2 GLU 44 - HB3 LYS 47 far 0 79 0 - 6.0-6.6 HB2 MET 21 - HB2 LYS 94 far 0 81 0 - 6.3-8.0 HB3 GLU 98 - HB2 LYS 94 far 0 91 0 - 6.5-8.4 HG12 ILE 93 - HB2 LYS 94 far 0 96 0 - 7.3-8.4 HB2 GLN 50 - HB3 LYS 47 far 0 93 0 - 8.0-10.2 HG12 ILE 93 - HB3 LYS 20 far 0 90 0 - 8.5-10.6 HB2 GLU 99 - HB2 LYS 94 far 0 91 0 - 8.6-11.3 HB3 GLU 99 - HB2 MET 1 far 0 40 0 - 8.6-11.9 QE MET 74 - HB3 LYS 47 far 0 81 0 - 8.7-9.6 HB2 GLU 99 - HB2 MET 1 far 0 36 0 - 8.9-11.5 HB3 GLU 99 - HB2 LYS 94 far 0 96 0 - 9.1-11.3 HB3 LYS 94 - HB3 LYS 20 far 0 96 0 - 9.3-10.6 HB2 GLN 50 - HB2 MET 1 far 0 44 0 - 9.4-12.1 HB3 GLU 48 - HB2 MET 1 far 0 33 0 - 9.9-11.4 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 2.2-3.0 2.9=100 QB ALA 25 - HB2 LYS 94 far 0 100 0 - 4.2-5.7 HB3 LEU 2 - HB2 MET 1 far 0 44 0 - 6.4-7.0 QB ALA 89 - HB3 LYS 20 far 0 96 0 - 7.1-9.3 QB ALA 89 - HB2 LYS 94 far 0 100 0 - 7.5-9.1 QB ALA 25 - HB3 LYS 20 far 0 96 0 - 7.6-8.5 HB3 LEU 2 - HB3 LYS 47 far 0 92 0 - 7.8-9.3 HB3 LEU 27 - HB2 MET 1 far 0 44 0 - 9.1-10.6 HB3 LEU 42 - HB3 LYS 47 far 0 56 0 - 9.4-9.8 QB ALA 25 - HB2 MET 1 far 0 44 0 - 9.4-10.2 HG LEU 14 - HB3 LYS 20 far 0 92 0 - 9.5-12.1 HB3 LEU 27 - HB2 LYS 94 far 0 100 0 - 9.9-11.5 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 4 assignments used, quality = 1.00: * HG3 LYS 94 + HB2 LYS 94 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LEU 27 - HB2 MET 1 far 0 22 0 - 9.1-10.6 HG LEU 14 - HB3 LYS 20 far 0 68 0 - 9.5-12.1 HB3 LEU 27 - HB2 LYS 94 far 0 63 0 - 9.9-11.5 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: HG3 LYS 47 + HB3 LYS 47 OK 93 93 100 100 2.2-3.0 3.0=100 * HD2 LYS 94 + HB2 LYS 94 OK 90 100 95 95 2.3-3.8 3.5=73, 4235/2.9=17...(24) HD3 LYS 94 + HB2 LYS 94 OK 24 84 30 95 2.9-3.8 3.5=73, 6.3/7513=12...(28) HG2 LYS 24 - HB3 LYS 20 far 0 55 0 - 4.5-9.3 HG2 ARG 19 - HB3 LYS 20 far 0 53 0 - 6.2-8.0 HB2 LEU 103 - HB2 MET 1 far 0 20 0 - 6.8-15.8 HG2 LYS 24 - HB2 LYS 94 far 0 61 0 - 7.7-10.8 HG LEU 27 - HB2 LYS 94 far 0 84 0 - 8.0-9.4 HB3 LEU 29 - HB3 LYS 20 far 0 73 0 - 8.5-9.3 HG LEU 27 - HB2 MET 1 far 0 32 0 - 9.3-10.5 HD2 LYS 94 - HB3 LYS 20 far 0 96 0 - 9.8-11.5 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 14 assignments used, quality = 0.97: HD2 LYS 94 + HB2 LYS 94 OK 78 84 95 98 2.3-3.8 3.5=85, 4235/2.9=14...(29) HG3 LYS 47 + HB3 LYS 47 OK 76 76 100 100 2.2-3.0 3.0=100 * HD3 LYS 94 + HB2 LYS 94 OK 49 100 50 98 2.9-3.8 3.5=85, 6.3/7513=14...(31) HG LEU 103 - HB2 MET 1 far 0 39 0 - 4.4-15.9 HG3 LYS 90 - HB3 LYS 20 far 0 90 0 - 4.5-6.9 HG2 LYS 24 - HB3 LYS 20 far 0 92 0 - 4.5-9.3 HG2 ARG 19 - HB3 LYS 20 far 0 91 0 - 6.2-8.0 HB2 LEU 103 - HB2 MET 1 far 0 41 0 - 6.8-15.8 HG3 LYS 90 - HB2 LYS 94 far 0 97 0 - 7.1-8.7 HG2 LYS 24 - HB2 LYS 94 far 0 98 0 - 7.7-10.8 HG LEU 27 - HB2 LYS 94 far 0 100 0 - 8.0-9.4 HB3 LEU 29 - HB3 LYS 20 far 0 96 0 - 8.5-9.3 HG LEU 27 - HB2 MET 1 far 0 44 0 - 9.3-10.5 HD2 LYS 94 - HB3 LYS 20 far 0 76 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 4193 from cnoeabs.peaks (2.92, 1.92, 32.23 ppm; 4.47 A increased from 4.21 A): 4 out of 10 assignments used, quality = 1.00: HE3 LYS 94 + HB2 LYS 94 OK 99 99 100 100 2.0-4.8 4.8=82, 3.0/4191=38...(40) HE3 LYS 20 + HB3 LYS 20 OK 94 94 100 100 2.0-4.5 4.7=85, 7.3/871=21...(75) HE2 LYS 20 + HB3 LYS 20 OK 94 94 100 100 2.1-4.7 4.7=85, 6314/871=22...(60) * HE2 LYS 94 + HB2 LYS 94 OK 85 100 85 100 2.0-5.1 4.8=82, 3.0/4191=38...(40) HG2 MET 21 - HB2 LYS 94 far 5 92 5 - 4.7-6.8 HG2 MET 21 - HB3 LYS 20 far 0 84 0 - 5.0-6.8 HB2 ASN 51 - HB2 MET 1 far 0 32 0 - 5.1-5.6 HE3 LYS 90 - HB3 LYS 20 far 0 89 0 - 5.2-7.6 HE3 LYS 90 - HB2 LYS 94 far 0 96 0 - 8.3-10.7 HE3 LYS 13 - HB3 LYS 20 far 0 55 0 - 9.6-14.5 Violated in 0 structures by 0.00 A. Peak 4194 from cnoeabs.peaks (2.91, 1.92, 32.23 ppm; 4.47 A increased from 4.21 A): 4 out of 9 assignments used, quality = 1.00: * HE3 LYS 94 + HB2 LYS 94 OK 100 100 100 100 2.0-4.8 4.8=82, 3.0/4191=38...(40) HE2 LYS 20 + HB3 LYS 20 OK 95 96 100 100 2.1-4.7 4.7=85, 6313/871=22...(60) HE3 LYS 20 + HB3 LYS 20 OK 95 96 100 100 2.0-4.5 4.7=85, 7.3/871=21...(75) HE2 LYS 94 + HB2 LYS 94 OK 84 99 85 100 2.0-5.1 4.8=82, 3.0/4191=38...(40) HG2 MET 21 - HB2 LYS 94 far 4 79 5 - 4.7-6.8 HG2 MET 21 - HB3 LYS 20 far 0 71 0 - 5.0-6.8 HB2 ASN 51 - HB2 MET 1 far 0 24 0 - 5.1-5.6 HE3 LYS 90 - HB3 LYS 20 far 0 78 0 - 5.2-7.6 HE3 LYS 90 - HB2 LYS 94 far 0 85 0 - 8.3-10.7 Violated in 0 structures by 0.00 A. Peak 4195 from cnoeabs.peaks (8.36, 1.92, 32.23 ppm; 4.07 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 95 + HB2 LYS 94 OK 100 100 100 100 2.4-4.2 7530=100, 4207/1.8=80...(10) H ILE 93 - HB2 LYS 94 far 0 100 0 - 4.7-6.3 H TYR 4 - HB2 MET 1 far 0 44 0 - 8.9-9.3 H ILE 93 - HB3 LYS 20 far 0 95 0 - 9.6-11.5 Violated in 1 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 = 0.95: HA LYS 94 + HB3 LYS 94 OK 90 90 100 100 2.3-2.9 3.0=100 * HA ARG 91 + HB3 LYS 94 OK 50 100 65 77 2.8-4.4 4021/7514=36...(10) HB2 SER 102 - HB3 MET 1 far 2 42 5 - 3.9-13.7 HA2 GLY 100 - HB3 MET 1 far 0 34 0 - 5.2-7.2 HA2 GLY 101 - HB3 MET 1 far 0 34 0 - 5.7-10.7 HA3 GLY 101 - HB3 MET 1 far 0 42 0 - 6.4-9.3 HA LYS 94 - HB2 MET 21 far 0 42 0 - 6.8-7.5 HA ALA 89 - HB2 MET 21 far 0 49 0 - 6.9-7.5 HA ARG 91 - HB2 MET 21 far 0 53 0 - 7.0-7.8 HA ALA 89 - HB3 LYS 94 far 0 98 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. Peak 4197 from cnoeabs.peaks (8.26, 2.02, 32.23 ppm; 3.57 A): 1 out of 7 assignments used, quality = 1.00: * H LYS 94 + HB3 LYS 94 OK 100 100 100 100 2.1-2.9 7514=100, 7513/1.8=69...(13) H LEU 103 - HB3 MET 1 far 2 33 5 - 3.6-13.6 H GLU 23 - HB2 MET 21 far 0 49 0 - 5.2-5.4 H LYS 94 - HB2 MET 21 far 0 53 0 - 5.5-6.3 H LEU 27 - HB2 MET 21 far 0 41 0 - 8.5-9.0 H GLU 23 - HB3 LYS 94 far 0 98 0 - 8.9-9.7 H LEU 27 - HB3 LYS 94 far 0 88 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 4198 from cnoeabs.peaks (3.87, 2.02, 32.23 ppm; 3.61 A): 1 out of 12 assignments used, quality = 1.00: * HA LYS 94 + HB3 LYS 94 OK 100 100 100 100 2.3-2.9 3.0=100 HA ARG 91 - HB3 LYS 94 poor 19 90 30 70 2.8-4.4 4021/7514=27...(10) HB2 SER 102 - HB3 MET 1 far 1 29 5 - 3.9-13.7 HA ALA 22 - HB2 MET 21 far 0 25 0 - 4.8-5.0 HA2 GLY 100 - HB3 MET 1 far 0 43 0 - 5.2-7.2 HA2 GLY 101 - HB3 MET 1 far 0 43 0 - 5.7-10.7 HA3 GLY 101 - HB3 MET 1 far 0 30 0 - 6.4-9.3 HA ALA 22 - HB3 LYS 94 far 0 59 0 - 6.5-7.5 HA LYS 94 - HB2 MET 21 far 0 53 0 - 6.8-7.5 HA ALA 89 - HB2 MET 21 far 0 29 0 - 6.9-7.5 HA ARG 91 - HB2 MET 21 far 0 42 0 - 7.0-7.8 HA ALA 89 - HB3 LYS 94 far 0 68 0 - 7.9-9.0 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 11 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 HB3 LYS 20 - HB2 MET 21 far 0 49 0 - 4.0-5.4 HB2 GLU 17 - HB2 MET 21 far 0 44 0 - 4.8-5.2 HB2 LYS 20 - HB2 MET 21 far 0 31 0 - 4.9-5.9 HB3 ARG 19 - HB2 MET 21 far 0 51 0 - 6.2-7.1 HB2 LYS 94 - HB2 MET 21 far 0 53 0 - 6.3-8.0 HB2 ARG 19 - HB2 MET 21 far 0 34 0 - 6.9-7.6 HB2 GLU 17 - HB3 LYS 94 far 0 93 0 - 9.0-10.4 HB3 LYS 20 - HB3 LYS 94 far 0 98 0 - 9.3-10.6 HB2 LYS 20 - HB3 LYS 94 far 0 71 0 - 10.0-11.9 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 10 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 - HB3 LYS 94 far 0 100 0 - 4.1-5.3 QB ALA 89 - HB2 MET 21 far 0 53 0 - 4.8-5.3 QB ALA 25 - HB2 MET 21 far 0 53 0 - 5.4-6.0 HG2 LYS 94 - HB2 MET 21 far 0 53 0 - 7.2-9.6 QB ALA 89 - HB3 LYS 94 far 0 100 0 - 7.2-8.2 HB3 LEU 2 - HB3 MET 1 far 0 42 0 - 7.3-7.6 HG LEU 14 - HB2 MET 21 far 0 50 0 - 8.4-9.0 HB3 LEU 27 - HB2 MET 21 far 0 52 0 - 9.3-10.5 HB3 LEU 27 - HB3 LYS 94 far 0 100 0 - 9.8-11.0 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 5 assignments used, quality = 1.00: * HG3 LYS 94 + HB3 LYS 94 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 LYS 94 - HB2 MET 21 far 0 53 0 - 6.9-9.4 HG LEU 14 - HB2 MET 21 far 0 33 0 - 8.4-9.0 HB3 LEU 27 - HB2 MET 21 far 0 27 0 - 9.3-10.5 HB3 LEU 27 - HB3 LYS 94 far 0 63 0 - 9.8-11.0 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 10 assignments used, quality = 1.00: * HD2 LYS 94 + HB3 LYS 94 OK 100 100 100 100 2.1-2.8 3.5=100 HD3 LYS 94 + HB3 LYS 94 OK 84 84 100 100 2.2-3.7 3.5=100 HG2 LYS 24 - HB2 MET 21 far 0 26 0 - 5.7-8.4 HD2 LYS 94 - HB2 MET 21 far 0 53 0 - 6.7-8.6 HD3 LYS 94 - HB2 MET 21 far 0 38 0 - 7.0-9.9 HG2 LYS 24 - HB3 LYS 94 far 0 61 0 - 7.1-9.1 HG2 ARG 19 - HB2 MET 21 far 0 25 0 - 7.2-8.3 HB3 LEU 29 - HB2 MET 21 far 0 36 0 - 7.4-8.0 HG LEU 27 - HB3 LYS 94 far 0 84 0 - 7.9-9.0 HG LEU 27 - HB2 MET 21 far 0 38 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 4204 from cnoeabs.peaks (1.60, 2.02, 32.23 ppm; 3.67 A): 3 out of 14 assignments used, quality = 1.00: * HD3 LYS 94 + HB3 LYS 94 OK 100 100 100 100 2.2-3.7 3.5=100 HD2 LYS 94 + HB3 LYS 94 OK 84 84 100 100 2.1-2.8 3.5=100 HG3 LYS 90 + HB2 MET 21 OK 44 48 100 92 3.1-3.7 4.0/9948=30, ~8557=27...(19) HG LEU 103 - HB3 MET 1 far 2 38 5 - 3.8-15.2 HG2 LYS 24 - HB2 MET 21 far 0 49 0 - 5.7-8.4 HG3 LYS 90 - HB3 LYS 94 far 0 97 0 - 6.3-7.5 HB2 LEU 103 - HB3 MET 1 far 0 39 0 - 6.6-15.5 HD2 LYS 94 - HB2 MET 21 far 0 38 0 - 6.7-8.6 HD3 LYS 94 - HB2 MET 21 far 0 53 0 - 7.0-9.9 HG2 LYS 24 - HB3 LYS 94 far 0 98 0 - 7.1-9.1 HG2 ARG 19 - HB2 MET 21 far 0 49 0 - 7.2-8.3 HB3 LEU 29 - HB2 MET 21 far 0 53 0 - 7.4-8.0 HG LEU 27 - HB3 LYS 94 far 0 100 0 - 7.9-9.0 HG LEU 27 - HB2 MET 21 far 0 53 0 - 8.8-9.4 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 = 0.83: * HE2 LYS 94 + HB3 LYS 94 OK 49 100 50 99 2.8-4.8 4.8=49, 1.8/4266=21...(50) HG2 MET 21 + HB2 MET 21 OK 44 44 100 100 2.2-2.4 3.0=100 HE3 LYS 94 + HB3 LYS 94 OK 39 99 40 99 2.8-4.7 4.8=49, 1.8/4266=21...(52) HB2 ASN 51 - HB3 MET 1 poor 12 31 40 - 3.7-4.6 HG2 MET 21 - HB3 LYS 94 far 5 92 5 - 4.0-5.2 HE2 LYS 20 - HB2 MET 21 far 0 51 0 - 5.1-8.7 HE3 LYS 90 - HB2 MET 21 far 0 47 0 - 5.2-5.9 HE3 LYS 20 - HB2 MET 21 far 0 51 0 - 5.4-8.6 HE3 LYS 90 - HB3 LYS 94 far 0 96 0 - 6.9-9.9 HE2 LYS 94 - HB2 MET 21 far 0 53 0 - 8.3-10.9 HE3 LYS 94 - HB2 MET 21 far 0 51 0 - 8.4-10.5 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 = 0.80: HE2 LYS 94 + HB3 LYS 94 OK 49 99 50 99 2.8-4.8 4.8=49, 1.8/4266=21...(50) * HE3 LYS 94 + HB3 LYS 94 OK 40 100 40 99 2.8-4.7 4.8=49, 1.8/4266=21...(52) HG2 MET 21 + HB2 MET 21 OK 35 35 100 100 2.2-2.4 3.0=100 HB2 ASN 51 - HB3 MET 1 poor 9 23 40 - 3.7-4.6 HG2 MET 21 - HB3 LYS 94 far 4 79 5 - 4.0-5.2 HE2 LYS 20 - HB2 MET 21 far 0 53 0 - 5.1-8.7 HE3 LYS 90 - HB2 MET 21 far 0 39 0 - 5.2-5.9 HE3 LYS 20 - HB2 MET 21 far 0 53 0 - 5.4-8.6 HE3 LYS 90 - HB3 LYS 94 far 0 85 0 - 6.9-9.9 HE2 LYS 94 - HB2 MET 21 far 0 51 0 - 8.3-10.9 HE3 LYS 94 - HB2 MET 21 far 0 53 0 - 8.4-10.5 Violated in 0 structures by 0.00 A. Peak 4207 from cnoeabs.peaks (8.36, 2.02, 32.23 ppm; 3.92 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 95 + HB3 LYS 94 OK 100 100 100 100 3.0-3.9 7531=92, 7530/1.8=73...(11) H ILE 93 - HB3 LYS 94 far 0 100 0 - 4.4-5.5 H ILE 93 - HB2 MET 21 far 0 52 0 - 5.5-6.3 H GLU 95 - HB2 MET 21 far 0 53 0 - 8.1-9.0 H TYR 4 - HB3 MET 1 far 0 43 0 - 9.7-10.2 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 2 assignments used, quality = 1.00: * H LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.3-4.3 7515=100, 7514/2.9=94...(19) H PHE 45 - HG3 LYS 40 far 0 80 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 4209 from cnoeabs.peaks (3.87, 1.34, 24.57 ppm; 3.95 A increased from 3.72 A): 3 out of 8 assignments used, quality = 1.00: * HA LYS 94 + HG2 LYS 94 OK 100 100 100 100 3.7-3.8 3.7=100 HA LYS 40 + HG3 LYS 40 OK 81 81 100 100 3.4-3.8 3.8=100 HA ARG 91 + HG2 LYS 94 OK 55 90 75 82 2.0-4.5 4021/7515=24, 1773=19...(15) HA LEU 38 - HG3 LYS 40 far 0 79 0 - 4.9-6.6 HA ALA 89 - HG2 LYS 94 far 0 68 0 - 7.2-10.1 HA GLU 43 - HG3 LYS 40 far 0 72 0 - 7.4-8.3 HA ALA 22 - HG2 LYS 94 far 0 59 0 - 8.3-10.1 HA GLU 35 - HG3 LYS 40 far 0 68 0 - 8.4-10.3 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 2.2-3.0 2.9=100 HB2 GLU 43 - HG3 LYS 40 far 0 73 0 - 6.5-7.8 HG LEU 42 - HG3 LYS 40 far 0 61 0 - 6.7-7.7 HB VAL 32 - HG3 LYS 40 far 0 71 0 - 8.0-9.8 HB2 GLU 17 - HG2 LYS 94 far 0 93 0 - 9.5-12.7 HB2 LYS 33 - HG3 LYS 40 far 0 80 0 - 9.5-11.0 HB3 ARG 46 - HG3 LYS 40 far 0 44 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 4211 from cnoeabs.peaks (2.02, 1.34, 24.57 ppm; 3.99 A): 1 out of 10 assignments used, quality = 1.00: * HB3 LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 GLU 98 - HG2 LYS 94 far 0 90 0 - 4.5-7.2 HB3 GLU 44 - HG3 LYS 40 far 0 67 0 - 5.4-7.1 HB2 GLU 44 - HG3 LYS 40 far 0 67 0 - 5.6-6.6 HB3 GLU 98 - HG2 LYS 94 far 0 91 0 - 5.8-8.9 QE MET 74 - HG3 LYS 40 far 0 68 0 - 6.5-7.5 HG12 ILE 93 - HG2 LYS 94 far 0 96 0 - 7.1-9.4 HB2 MET 21 - HG2 LYS 94 far 0 81 0 - 7.2-9.6 HB3 GLU 99 - HG2 LYS 94 far 0 96 0 - 7.7-10.8 HB2 GLU 99 - HG2 LYS 94 far 0 91 0 - 7.9-11.2 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 - 7.1-8.4 HG2 LYS 39 - HG3 LYS 40 far 0 46 0 - 7.5-8.6 QB ALA 71 - HG3 LYS 40 far 0 55 0 - 9.8-10.9 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 2.5-3.0 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 2.3-2.4 2.9=100 HB2 ARG 30 - HG3 LYS 40 far 0 68 0 - 6.3-7.5 HD2 LYS 39 - HG3 LYS 40 far 0 55 0 - 7.9-9.8 HB3 LEU 6 - HG3 LYS 40 far 0 64 0 - 8.3-9.9 HD3 LYS 39 - HG3 LYS 40 far 0 72 0 - 8.7-9.9 HG2 LYS 24 - HG2 LYS 94 far 0 61 0 - 9.1-11.9 HG LEU 27 - HG2 LYS 94 far 0 84 0 - 9.6-10.7 HG3 LYS 47 - HG3 LYS 40 far 0 81 0 - 9.9-12.3 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 8 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 2.5-3.0 3.0=100 HB2 ARG 30 - HG3 LYS 40 far 0 80 0 - 6.3-7.5 HG3 LYS 90 - HG2 LYS 94 far 0 97 0 - 7.2-9.7 HG2 LYS 24 - HG2 LYS 94 far 0 98 0 - 9.1-11.9 HG LEU 27 - HG2 LYS 94 far 0 100 0 - 9.6-10.7 HG LEU 103 - HG2 LYS 94 far 0 96 0 - 9.7-21.1 HG3 LYS 47 - HG3 LYS 40 far 0 64 0 - 9.9-12.3 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 2.0-4.1 3.9=100 HE3 LYS 94 + HG2 LYS 94 OK 99 99 100 100 2.2-4.2 3.9=100 HG2 MET 21 - HG2 LYS 94 far 0 92 0 - 5.5-7.7 HE3 LYS 90 - HG2 LYS 94 far 0 96 0 - 7.4-11.9 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 2.2-4.2 3.9=100 HE2 LYS 94 + HG2 LYS 94 OK 99 99 100 100 2.0-4.1 3.9=100 HG2 MET 21 - HG2 LYS 94 far 0 79 0 - 5.5-7.7 HE3 LYS 90 - HG2 LYS 94 far 0 85 0 - 7.4-11.9 HE3 LYS 39 - HG3 LYS 40 far 0 49 0 - 8.3-10.2 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 2.1-3.1 4.9=100 H ILE 93 + HG2 LYS 94 OK 27 100 30 90 4.1-6.8 7498/7515=70, 10006=24...(10) 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 2 assignments used, quality = 1.00: * H LYS 94 + HG3 LYS 94 OK 100 100 100 100 1.9-4.4 7516=100, 7514/2.9=93...(17) H PHE 45 - HG3 LYS 40 far 0 76 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 4220 from cnoeabs.peaks (3.87, 1.38, 24.57 ppm; 3.82 A increased from 3.59 A): 3 out of 9 assignments used, quality = 1.00: * HA LYS 94 + HG3 LYS 94 OK 100 100 100 100 2.7-3.8 3.7=100 HA LYS 40 + HG3 LYS 40 OK 76 76 100 100 3.4-3.8 3.8=100 HA ARG 91 + HG3 LYS 94 OK 42 90 60 78 2.0-5.8 4021/7516=21...(14) HA LEU 38 - HG3 LYS 40 far 0 74 0 - 4.9-6.6 HA ALA 89 - HG3 LYS 94 far 0 68 0 - 7.1-10.8 HA GLU 43 - HG3 LYS 40 far 0 68 0 - 7.4-8.3 HA ALA 22 - HG3 LYS 94 far 0 59 0 - 8.1-9.4 HA GLU 35 - HG3 LYS 40 far 0 64 0 - 8.4-10.3 HA2 GLY 100 - HG3 LYS 94 far 0 100 0 - 10.0-13.1 Violated in 0 structures by 0.00 A. Peak 4221 from cnoeabs.peaks (1.92, 1.38, 24.57 ppm; 3.89 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LYS 94 + HG3 LYS 94 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 GLU 43 - HG3 LYS 40 far 0 69 0 - 6.5-7.8 HG LEU 42 - HG3 LYS 40 far 0 57 0 - 6.7-7.7 HB VAL 32 - HG3 LYS 40 far 0 67 0 - 8.0-9.8 HB2 LYS 33 - HG3 LYS 40 far 0 76 0 - 9.5-11.0 HB2 GLU 17 - HG3 LYS 94 far 0 93 0 - 9.5-13.1 HB3 ARG 46 - HG3 LYS 40 far 0 41 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 4222 from cnoeabs.peaks (2.02, 1.38, 24.57 ppm; 3.86 A): 1 out of 10 assignments used, quality = 1.00: * HB3 LYS 94 + HG3 LYS 94 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 GLU 98 - HG3 LYS 94 poor 8 90 25 34 3.5-7.5 ~10465=11, ~12255=9...(6) HB3 GLU 98 - HG3 LYS 94 far 0 91 0 - 4.9-9.0 HB3 GLU 44 - HG3 LYS 40 far 0 62 0 - 5.4-7.1 HB2 GLU 44 - HG3 LYS 40 far 0 62 0 - 5.6-6.6 QE MET 74 - HG3 LYS 40 far 0 64 0 - 6.5-7.5 HG12 ILE 93 - HG3 LYS 94 far 0 96 0 - 6.9-9.2 HB2 MET 21 - HG3 LYS 94 far 0 81 0 - 6.9-9.4 HB2 GLU 99 - HG3 LYS 94 far 0 91 0 - 7.4-11.4 HB3 GLU 99 - HG3 LYS 94 far 0 96 0 - 7.9-10.9 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 6 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 - 4.8-6.6 QB ALA 89 - HG3 LYS 94 far 0 100 0 - 7.0-10.0 HB3 ARG 30 - HG3 LYS 40 far 0 49 0 - 7.1-8.4 HG2 LYS 39 - HG3 LYS 40 far 0 75 0 - 7.5-8.6 HB3 LEU 42 - HG3 LYS 40 far 0 43 0 - 8.1-8.6 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 2.2-3.0 3.0=100 HB2 LYS 40 + HG3 LYS 40 OK 62 62 100 100 2.3-2.4 2.9=100 HB2 ARG 30 - HG3 LYS 40 far 0 64 0 - 6.3-7.5 HD2 LYS 39 - HG3 LYS 40 far 0 52 0 - 7.9-9.8 HG2 LYS 24 - HG3 LYS 94 far 0 61 0 - 8.0-11.4 HG LEU 27 - HG3 LYS 94 far 0 84 0 - 8.2-10.5 HB3 LEU 6 - HG3 LYS 40 far 0 60 0 - 8.3-9.9 HD3 LYS 39 - HG3 LYS 40 far 0 68 0 - 8.7-9.9 HG3 LYS 47 - HG3 LYS 40 far 0 76 0 - 9.9-12.3 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 8 assignments used, quality = 1.00: * HD3 LYS 94 + HG3 LYS 94 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 94 + HG3 LYS 94 OK 84 84 100 100 2.3-3.0 3.0=100 HB2 ARG 30 - HG3 LYS 40 far 0 76 0 - 6.3-7.5 HG3 LYS 90 - HG3 LYS 94 far 0 97 0 - 6.9-10.1 HG2 LYS 24 - HG3 LYS 94 far 0 98 0 - 8.0-11.4 HG LEU 27 - HG3 LYS 94 far 0 100 0 - 8.2-10.5 HG3 LYS 47 - HG3 LYS 40 far 0 60 0 - 9.9-12.3 HG LEU 103 - HG3 LYS 94 far 0 96 0 - 10.0-22.4 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 2.0-4.0 3.9=100 HE3 LYS 94 + HG3 LYS 94 OK 99 99 100 100 2.1-4.2 3.9=100 HG2 MET 21 - HG3 LYS 94 far 0 92 0 - 5.0-7.9 HE3 LYS 90 - HG3 LYS 94 far 0 96 0 - 7.7-12.5 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 2.1-4.2 3.9=100 HE2 LYS 94 + HG3 LYS 94 OK 99 99 100 100 2.0-4.0 3.9=100 HG2 MET 21 - HG3 LYS 94 far 0 79 0 - 5.0-7.9 HE3 LYS 90 - HG3 LYS 94 far 0 85 0 - 7.7-12.5 HE3 LYS 39 - HG3 LYS 40 far 0 46 0 - 8.3-10.2 Violated in 0 structures by 0.00 A. Peak 4229 from cnoeabs.peaks (8.36, 1.38, 24.57 ppm; 4.94 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 95 + HG3 LYS 94 OK 100 100 100 100 2.3-3.7 4.9=100 H ILE 93 + HG3 LYS 94 OK 34 100 40 86 3.7-7.1 7498/7516=66...(9) 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 3.9-5.5 7514/3.5=95, 7513/3.5=89...(14) H LYS 94 + HD3 LYS 94 OK 65 68 95 100 3.7-5.8 7514/3.5=95, 7513/3.5=89...(15) H ALA 71 - HD2 LYS 39 far 0 57 0 - 6.5-9.4 H ALA 71 - HD3 LYS 39 far 0 88 0 - 7.5-9.0 H ALA 71 - HD3 LYS 68 far 0 58 0 - 7.7-8.5 H ALA 71 - HD2 LYS 68 far 0 56 0 - 7.8-8.5 H GLU 23 - HD2 LYS 94 far 0 98 0 - 9.8-11.6 H LEU 27 - HD2 LYS 94 far 0 88 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 4231 from cnoeabs.peaks (3.87, 1.62, 29.36 ppm; 4.82 A increased from 4.29 A): 4 out of 24 assignments used, quality = 1.00: * HA LYS 94 + HD2 LYS 94 OK 100 100 100 100 3.6-4.8 4.7=100 HA ARG 91 + HD2 LYS 94 OK 54 90 75 80 2.6-6.2 4021/6.3=22, 4196/3.5=21...(11) HA ARG 91 + HD3 LYS 94 OK 39 55 90 78 2.0-5.4 4021/6.3=22, 4196/3.5=21...(11) HA LYS 94 + HD3 LYS 94 OK 31 68 45 100 4.2-5.5 4.7=100 HA LYS 40 - HD2 LYS 39 far 3 57 5 - 5.0-7.1 HA LYS 40 - HD3 LYS 39 far 0 89 0 - 5.6-7.1 HA GLU 35 - HD2 LYS 39 far 0 47 0 - 6.0-7.7 HA ALA 71 - HD2 LYS 39 far 0 48 0 - 6.3-9.2 HA GLU 43 - HD3 LYS 39 far 0 80 0 - 7.0-7.7 HA ALA 67 - HD3 LYS 68 far 0 55 0 - 7.1-8.3 HA ALA 71 - HD3 LYS 39 far 0 77 0 - 7.1-8.5 HA ALA 67 - HD2 LYS 68 far 0 52 0 - 7.1-8.4 HA GLU 43 - HD2 LYS 39 far 0 50 0 - 7.4-8.6 HA LEU 38 - HD2 LYS 39 far 0 56 0 - 7.7-8.3 HA GLU 35 - HD3 LYS 39 far 0 75 0 - 7.7-8.9 HA ALA 67 - HD2 LYS 39 far 0 54 0 - 7.8-10.1 HA ALA 22 - HD2 LYS 94 far 0 59 0 - 7.9-9.9 HA ALA 89 - HD3 LYS 94 far 0 39 0 - 8.1-11.5 HA ALA 89 - HD2 LYS 94 far 0 68 0 - 8.5-11.7 HA LEU 38 - HD3 LYS 39 far 0 87 0 - 8.9-9.2 HA ALA 22 - HD3 LYS 94 far 0 33 0 - 9.1-10.8 HA ALA 67 - HD3 LYS 39 far 0 84 0 - 9.3-10.6 HA ALA 71 - HD3 LYS 68 far 0 49 0 - 9.7-10.8 HA ALA 71 - HD2 LYS 68 far 0 46 0 - 9.8-10.8 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 17 assignments used, quality = 1.00: * HB2 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.3-3.8 3.5=100 HB2 LYS 94 + HD3 LYS 94 OK 68 68 100 100 2.9-3.8 3.5=100 HB2 LYS 73 - HD2 LYS 39 far 0 32 0 - 5.3-10.6 HB2 LYS 73 - HD3 LYS 39 far 0 54 0 - 5.6-9.5 HB3 LYS 73 - HD2 LYS 39 far 0 33 0 - 6.1-10.4 HB3 LYS 73 - HD3 LYS 39 far 0 55 0 - 6.3-9.1 HG LEU 42 - HD2 LYS 39 far 0 42 0 - 7.1-8.3 HB2 GLU 43 - HD3 LYS 39 far 0 81 0 - 7.3-8.6 HB2 GLU 43 - HD2 LYS 39 far 0 51 0 - 7.5-9.4 HG LEU 42 - HD3 LYS 39 far 0 69 0 - 7.8-8.3 HB2 GLU 17 - HD2 LYS 94 far 0 93 0 - 8.8-12.5 HB2 GLU 17 - HD3 LYS 94 far 0 58 0 - 9.0-12.4 HB3 ARG 46 - HD3 LYS 39 far 0 50 0 - 9.1-10.3 HB2 LYS 73 - HD3 LYS 68 far 0 33 0 - 9.5-12.0 HB3 ARG 46 - HD2 LYS 39 far 0 29 0 - 9.8-11.3 HB3 LYS 20 - HD2 LYS 94 far 0 98 0 - 9.8-11.5 HB2 LYS 73 - HD2 LYS 68 far 0 31 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 4233 from cnoeabs.peaks (2.02, 1.62, 29.36 ppm; 3.73 A): 3 out of 17 assignments used, quality = 1.00: * HB3 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.1-2.8 3.5=100 QE MET 74 + HD3 LYS 39 OK 72 75 100 95 3.2-3.9 9602/3.0=53...(14) HB3 LYS 94 + HD3 LYS 94 OK 68 68 100 100 2.2-3.7 3.5=100 QE MET 74 - HD2 LYS 39 poor 19 47 40 - 2.9-4.6 HB2 GLU 98 - HD3 LYS 94 far 0 55 0 - 5.8-8.8 HB2 GLU 98 - HD2 LYS 94 far 0 90 0 - 6.0-8.7 HB2 GLU 35 - HD2 LYS 39 far 0 52 0 - 6.2-7.4 HB3 GLU 98 - HD3 LYS 94 far 0 56 0 - 6.5-10.1 HB3 GLU 98 - HD2 LYS 94 far 0 91 0 - 6.7-10.1 HB2 MET 21 - HD2 LYS 94 far 0 81 0 - 6.7-8.6 HB2 MET 21 - HD3 LYS 94 far 0 48 0 - 7.0-9.9 HB2 GLU 35 - HD3 LYS 39 far 0 82 0 - 7.8-8.7 HG12 ILE 93 - HD3 LYS 94 far 0 62 0 - 8.3-10.7 HG12 ILE 93 - HD2 LYS 94 far 0 96 0 - 8.5-9.9 HB2 GLU 62 - HD2 LYS 68 far 0 55 0 - 9.5-12.0 HB2 GLU 99 - HD3 LYS 94 far 0 56 0 - 9.8-13.1 HB3 GLU 99 - HD3 LYS 94 far 0 62 0 - 10.0-12.8 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 2.5-3.0 3.0=100 HG2 LYS 39 + HD3 LYS 39 OK 88 88 100 100 2.3-2.7 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 2.4-3.0 3.0=100 HG3 LYS 68 + HD3 LYS 68 OK 56 56 100 100 2.4-3.0 3.0=100 HG3 LYS 68 + HD2 LYS 68 OK 54 54 100 100 2.3-3.0 3.0=100 QB ALA 67 - HD3 LYS 68 far 0 58 0 - 4.7-6.3 QB ALA 25 - HD2 LYS 94 far 0 100 0 - 4.8-7.1 QB ALA 67 - HD2 LYS 68 far 0 56 0 - 4.8-6.4 HB2 LEU 70 - HD2 LYS 39 far 0 37 0 - 5.0-7.8 QB ALA 25 - HD3 LYS 94 far 0 68 0 - 5.8-8.0 HB2 LEU 70 - HD3 LYS 39 far 0 62 0 - 6.3-7.7 HB3 LEU 42 - HD2 LYS 39 far 0 31 0 - 6.6-8.0 HB3 LEU 42 - HD3 LYS 39 far 0 52 0 - 6.8-7.5 HB2 LYS 82 - HD3 LYS 68 far 0 58 0 - 6.9-9.5 HB2 LYS 82 - HD2 LYS 68 far 0 56 0 - 7.1-9.9 QB ALA 89 - HD3 LYS 94 far 0 68 0 - 7.4-10.5 QB ALA 89 - HD2 LYS 94 far 0 100 0 - 7.7-10.5 HG3 LYS 40 - HD2 LYS 39 far 0 48 0 - 7.9-9.8 QB ALA 67 - HD2 LYS 39 far 0 57 0 - 8.5-10.4 HG3 LYS 40 - HD3 LYS 39 far 0 77 0 - 8.7-9.9 HB2 LEU 70 - HD3 LYS 68 far 0 38 0 - 8.8-9.4 HB2 LEU 70 - HD2 LYS 68 far 0 36 0 - 8.9-9.4 QB ALA 67 - HD3 LYS 39 far 0 89 0 - 9.7-10.8 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, 2.9/4191=19...(32) HG3 LYS 94 + HD3 LYS 94 OK 67 68 100 99 2.2-3.0 3.0=95, 4257/3.0=11...(31) HG2 LYS 39 + HD3 LYS 39 OK 52 52 100 100 2.3-2.7 3.0=96, 1.8/1720=48...(72) HG3 LYS 68 + HD3 LYS 68 OK 36 36 100 100 2.4-3.0 3.0=96, 2.9/3002=10...(79) HG3 LYS 68 + HD2 LYS 68 OK 34 34 100 100 2.3-3.0 3.0=96, 3038/1.8=10...(77) HG2 LYS 39 + HD2 LYS 39 OK 31 31 100 100 2.4-3.0 3.0=96, ~1720=28...(50) HB2 LEU 70 - HD2 LYS 39 far 0 54 0 - 5.0-7.8 HB2 LEU 70 - HD3 LYS 39 far 0 84 0 - 6.3-7.7 QB ALA 71 - HD2 LYS 68 far 0 36 0 - 6.5-7.5 QB ALA 71 - HD3 LYS 68 far 0 38 0 - 6.6-7.7 QB ALA 71 - HD2 LYS 39 far 0 37 0 - 6.9-9.1 HB2 LYS 82 - HD3 LYS 68 far 0 29 0 - 6.9-9.5 HB2 LYS 82 - HD2 LYS 68 far 0 28 0 - 7.1-9.9 QB ALA 71 - HD3 LYS 39 far 0 62 0 - 7.7-8.8 HG3 LYS 40 - HD2 LYS 39 far 0 46 0 - 7.9-9.8 HG3 LYS 40 - HD3 LYS 39 far 0 74 0 - 8.7-9.9 HB2 LEU 70 - HD3 LYS 68 far 0 55 0 - 8.8-9.4 HB2 LEU 70 - HD2 LYS 68 far 0 52 0 - 8.9-9.4 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 27 assignments used, quality = 1.00: * HE2 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.4-3.0 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 2.4-3.0 3.0=100 HE2 LYS 68 + HD3 LYS 68 OK 56 56 100 100 2.2-3.0 3.0=97, 3080/1.8=9...(68) HE3 LYS 68 + HD3 LYS 68 OK 55 55 100 100 2.4-3.0 3.0=97, 4267/3.0=10...(64) HE2 LYS 68 + HD2 LYS 68 OK 53 54 100 100 2.2-3.0 3.0=97, 3080/1.8=9...(68) HE3 LYS 68 + HD2 LYS 68 OK 52 52 100 100 2.3-3.0 3.0=97, 4267/3.0=10...(63) HE3 LYS 73 - HD3 LYS 39 far 0 69 0 - 3.6-11.5 HE2 LYS 73 - HD2 LYS 39 far 0 36 0 - 3.9-12.4 HE3 LYS 73 - HD2 LYS 39 far 0 42 0 - 4.0-12.2 HG2 MET 21 - HD2 LYS 94 far 0 92 0 - 4.4-6.7 HE2 LYS 73 - HD3 LYS 39 far 0 61 0 - 4.5-11.6 HG2 MET 21 - HD3 LYS 94 far 0 57 0 - 4.7-7.9 HE3 LYS 90 - HD2 LYS 94 far 0 96 0 - 5.8-11.6 HE3 LYS 66 - HD2 LYS 68 far 0 47 0 - 6.5-11.8 HE3 LYS 90 - HD3 LYS 94 far 0 61 0 - 6.8-11.7 HE3 LYS 66 - HD3 LYS 68 far 0 50 0 - 6.8-11.8 HE2 LYS 66 - HD2 LYS 39 far 0 43 0 - 7.1-12.9 HE2 LYS 66 - HD3 LYS 68 far 0 44 0 - 7.5-11.5 HE2 LYS 66 - HD2 LYS 68 far 0 42 0 - 7.8-11.6 HE3 LYS 66 - HD2 LYS 39 far 0 48 0 - 7.9-13.4 HE2 LYS 66 - HD3 LYS 39 far 0 70 0 - 8.7-13.4 HE3 LYS 73 - HD3 LYS 68 far 0 43 0 - 9.3-14.2 HE3 LYS 66 - HD3 LYS 39 far 0 78 0 - 9.3-14.1 HE3 LYS 73 - HD2 LYS 68 far 0 41 0 - 9.5-14.4 HE2 LYS 73 - HD2 LYS 68 far 0 35 0 - 9.7-14.6 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 26 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 2.4-3.0 3.0=100 HE3 LYS 94 + HD3 LYS 94 OK 68 68 100 100 2.4-3.0 3.0=100 HE2 LYS 94 + HD3 LYS 94 OK 66 66 100 100 2.3-3.0 3.0=100 HE2 LYS 68 + HD3 LYS 68 OK 58 59 100 100 2.2-3.0 3.0=97, 3080/1.8=10...(68) HE3 LYS 68 + HD3 LYS 68 OK 58 58 100 100 2.4-3.0 3.0=97, 4267/3.0=11...(64) HE2 LYS 68 + HD2 LYS 68 OK 56 56 100 100 2.2-3.0 3.0=97, 3080/1.8=9...(68) HE3 LYS 68 + HD2 LYS 68 OK 56 56 100 100 2.3-3.0 3.0=97, 4267/3.0=11...(63) HE3 LYS 39 + HD3 LYS 39 OK 55 55 100 100 2.6-3.0 3.0=98, 3.5/1720=26...(31) HE3 LYS 39 + HD2 LYS 39 OK 33 33 100 100 2.2-3.0 3.0=98, 1.8/1753=16...(30) HE3 LYS 73 - HD3 LYS 39 far 0 54 0 - 3.6-11.5 HE3 LYS 73 - HD2 LYS 39 far 0 32 0 - 4.0-12.2 HG2 MET 21 - HD2 LYS 94 far 0 79 0 - 4.4-6.7 HG2 MET 21 - HD3 LYS 94 far 0 47 0 - 4.7-7.9 HE3 LYS 90 - HD2 LYS 94 far 0 85 0 - 5.8-11.6 HE3 LYS 66 - HD2 LYS 68 far 0 54 0 - 6.5-11.8 HE3 LYS 90 - HD3 LYS 94 far 0 52 0 - 6.8-11.7 HE3 LYS 66 - HD3 LYS 68 far 0 56 0 - 6.8-11.8 HE2 LYS 66 - HD2 LYS 39 far 0 51 0 - 7.1-12.9 HE2 LYS 66 - HD3 LYS 68 far 0 52 0 - 7.5-11.5 HE2 LYS 66 - HD2 LYS 68 far 0 50 0 - 7.8-11.6 HE3 LYS 66 - HD2 LYS 39 far 0 55 0 - 7.9-13.4 HE2 LYS 66 - HD3 LYS 39 far 0 81 0 - 8.7-13.4 HE3 LYS 73 - HD3 LYS 68 far 0 33 0 - 9.3-14.2 HE3 LYS 66 - HD3 LYS 39 far 0 86 0 - 9.3-14.1 HE3 LYS 73 - HD2 LYS 68 far 0 31 0 - 9.5-14.4 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 4.6-5.5 7532/3.0=93, 4207/3.5=92...(16) H GLU 95 + HD3 LYS 94 OK 68 68 100 100 4.3-5.2 7532/3.0=93, 4207/3.5=92...(14) H ILE 93 + HD2 LYS 94 OK 36 100 40 89 5.7-8.2 7498/6.3=59...(7) H ILE 93 - HD3 LYS 94 poor 17 68 30 84 5.3-8.3 7498/6.3=59...(8) H GLU 63 - HD2 LYS 68 far 0 43 0 - 8.6-11.1 H GLU 63 - HD3 LYS 68 far 0 45 0 - 8.9-11.1 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 4 assignments used, quality = 1.00: * H LYS 94 + HD3 LYS 94 OK 100 100 100 100 3.7-5.8 7514/3.5=98, 7513/3.5=93...(15) H LYS 94 + HD2 LYS 94 OK 68 68 100 100 3.9-5.5 7514/3.5=98, 7513/3.5=93...(13) H GLU 23 - HD2 LYS 94 far 0 64 0 - 9.8-11.6 H LEU 27 - HD2 LYS 94 far 0 54 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 4242 from cnoeabs.peaks (3.87, 1.60, 29.36 ppm; 4.75 A increased from 4.47 A): 4 out of 8 assignments used, quality = 0.95: HA LYS 94 + HD2 LYS 94 OK 68 68 100 100 3.6-4.8 4.7=100 HA ARG 91 + HD3 LYS 94 OK 64 90 90 80 2.0-5.4 4021/6.3=21, 4196/3.5=21...(11) * HA LYS 94 + HD3 LYS 94 OK 40 100 40 100 4.2-5.5 4.7=100 HA ARG 91 + HD2 LYS 94 OK 32 55 75 78 2.6-6.2 4021/6.3=21, 4196/3.5=21...(11) HA ALA 22 - HD2 LYS 94 far 0 33 0 - 7.9-9.9 HA ALA 89 - HD3 LYS 94 far 0 68 0 - 8.1-11.5 HA ALA 89 - HD2 LYS 94 far 0 39 0 - 8.5-11.7 HA ALA 22 - HD3 LYS 94 far 0 59 0 - 9.1-10.8 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 5 assignments used, quality = 1.00: * HB2 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.9-3.8 3.5=100 HB2 LYS 94 + HD2 LYS 94 OK 68 68 100 100 2.3-3.8 3.5=100 HB2 GLU 17 - HD2 LYS 94 far 0 58 0 - 8.8-12.5 HB2 GLU 17 - HD3 LYS 94 far 0 93 0 - 9.0-12.4 HB3 LYS 20 - HD2 LYS 94 far 0 64 0 - 9.8-11.5 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 12 assignments used, quality = 1.00: * HB3 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.2-3.7 3.5=100 HB3 LYS 94 + HD2 LYS 94 OK 68 68 100 100 2.1-2.8 3.5=100 HB2 GLU 98 - HD3 LYS 94 far 0 90 0 - 5.8-8.8 HB2 GLU 98 - HD2 LYS 94 far 0 55 0 - 6.0-8.7 HB3 GLU 98 - HD3 LYS 94 far 0 91 0 - 6.5-10.1 HB3 GLU 98 - HD2 LYS 94 far 0 56 0 - 6.7-10.1 HB2 MET 21 - HD2 LYS 94 far 0 48 0 - 6.7-8.6 HB2 MET 21 - HD3 LYS 94 far 0 81 0 - 7.0-9.9 HG12 ILE 93 - HD3 LYS 94 far 0 96 0 - 8.3-10.7 HG12 ILE 93 - HD2 LYS 94 far 0 62 0 - 8.5-9.9 HB2 GLU 99 - HD3 LYS 94 far 0 91 0 - 9.8-13.1 HB3 GLU 99 - HD3 LYS 94 far 0 96 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 4245 from cnoeabs.peaks (1.34, 1.60, 29.36 ppm; 3.41 A): 2 out of 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 2.5-3.0 3.0=100 QB ALA 25 - HD2 LYS 94 far 0 68 0 - 4.8-7.1 QB ALA 25 - HD3 LYS 94 far 0 100 0 - 5.8-8.0 QB ALA 89 - HD3 LYS 94 far 0 100 0 - 7.4-10.5 QB ALA 89 - HD2 LYS 94 far 0 68 0 - 7.7-10.5 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 2.2-3.0 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 8 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 2.4-3.0 3.0=100 HE2 LYS 94 + HD2 LYS 94 OK 68 68 100 100 2.4-3.0 3.0=100 HE3 LYS 94 + HD2 LYS 94 OK 66 66 100 100 2.2-3.0 3.0=100 HG2 MET 21 - HD2 LYS 94 far 0 57 0 - 4.4-6.7 HG2 MET 21 - HD3 LYS 94 far 0 92 0 - 4.7-7.9 HE3 LYS 90 - HD2 LYS 94 far 0 61 0 - 5.8-11.6 HE3 LYS 90 - HD3 LYS 94 far 0 96 0 - 6.8-11.7 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 8 assignments used, quality = 1.00: * HE3 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 94 + HD3 LYS 94 OK 99 99 100 100 2.3-3.0 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 2.4-3.0 3.0=100 HG2 MET 21 - HD2 LYS 94 far 0 47 0 - 4.4-6.7 HG2 MET 21 - HD3 LYS 94 far 0 79 0 - 4.7-7.9 HE3 LYS 90 - HD2 LYS 94 far 0 52 0 - 5.8-11.6 HE3 LYS 90 - HD3 LYS 94 far 0 85 0 - 6.8-11.7 Violated in 0 structures by 0.00 A. Peak 4251 from cnoeabs.peaks (8.36, 1.60, 29.36 ppm; 5.74 A): 4 out of 4 assignments used, quality = 1.00: * H GLU 95 + HD3 LYS 94 OK 100 100 100 100 4.3-5.2 7532/3.0=92, 4207/3.5=91...(14) H GLU 95 + HD2 LYS 94 OK 68 68 100 100 4.6-5.5 7532/3.0=92, 4207/3.5=91...(15) H ILE 93 + HD3 LYS 94 OK 26 100 30 86 5.3-8.3 7498/6.3=57...(8) H ILE 93 + HD2 LYS 94 OK 20 68 35 85 5.7-8.2 7498/6.3=57...(7) Violated in 0 structures by 0.00 A. Peak 4253 from cnoeabs.peaks (3.87, 2.92, 41.80 ppm; 6.14 A): 4 out of 31 assignments used, quality = 1.00: HA LYS 94 + HE3 LYS 94 OK 98 98 100 100 3.8-6.4 6.0=100 * HA LYS 94 + HE2 LYS 94 OK 90 100 90 100 3.9-6.7 6.0=100 HA ARG 91 + HE3 LYS 94 OK 59 85 75 92 2.2-7.2 4242/3.0=29, 4021/7.3=28...(10) HA ARG 91 + HE2 LYS 94 OK 58 90 70 92 2.9-7.2 4242/3.0=29, 4021/7.3=28...(10) HA ALA 67 - HE2 LYS 66 poor 17 67 25 - 5.8-8.9 HA ALA 67 - HE3 LYS 66 far 8 81 10 - 6.0-8.9 HA ARG 91 - HE3 LYS 90 far 4 76 5 - 6.4-8.6 HA GLU 35 - HE2 LYS 66 far 3 58 5 - 6.2-10.1 HA ALA 71 - HE3 LYS 73 far 3 57 5 - 6.3-10.1 HA GLU 35 - HE3 LYS 66 far 0 72 0 - 6.5-9.6 HA ALA 67 - HE3 LYS 68 far 0 92 0 - 6.6-9.5 HA ALA 67 - HE2 LYS 68 far 0 94 0 - 7.8-9.4 HA LYS 12 - HE2 LYS 20 far 0 96 0 - 7.8-11.9 HA ALA 89 - HE3 LYS 90 far 0 55 0 - 8.1-8.8 HA ALA 67 - HE3 LYS 73 far 0 64 0 - 8.2-12.3 HA ALA 22 - HE3 LYS 94 far 0 56 0 - 8.3-11.8 HA ALA 89 - HE3 LYS 94 far 0 63 0 - 8.5-12.7 HA LYS 12 - HE3 LYS 20 far 0 97 0 - 9.1-12.7 HA ALA 22 - HE2 LYS 20 far 0 56 0 - 9.1-11.7 HB2 SER 85 - HE3 LYS 90 far 0 52 0 - 9.2-10.6 HA LYS 94 - HE3 LYS 90 far 0 90 0 - 9.2-11.5 HA GLU 35 - HE3 LYS 73 far 0 56 0 - 9.3-14.2 HA GLU 43 - HE3 LYS 73 far 0 60 0 - 9.3-14.9 HA ALA 22 - HE2 LYS 94 far 0 59 0 - 9.3-11.8 HA ALA 71 - HE2 LYS 66 far 0 60 0 - 9.3-13.1 HA ALA 22 - HE3 LYS 20 far 0 57 0 - 9.3-12.2 HA ALA 89 - HE2 LYS 94 far 0 68 0 - 9.3-12.9 HA ALA 71 - HE3 LYS 68 far 0 84 0 - 9.4-11.4 HA LYS 40 - HE3 LYS 73 far 0 68 0 - 9.4-16.3 HA ALA 71 - HE2 LYS 68 far 0 87 0 - 9.5-11.9 HA ALA 71 - HE3 LYS 66 far 0 73 0 - 9.5-13.1 Violated in 0 structures by 0.00 A. Peak 4254 from cnoeabs.peaks (1.92, 2.92, 41.80 ppm; 3.78 A): 8 out of 34 assignments used, quality = 1.00: HB2 GLU 17 + HE3 LYS 90 OK 68 80 90 95 2.1-4.1 ~10433=36, 12027/3.8=31...(19) HB3 LYS 20 + HE3 LYS 20 OK 66 96 70 98 2.0-4.5 4.7=51, 1.8/868=15...(57) HB3 LYS 20 + HE2 LYS 20 OK 56 96 60 98 2.1-4.7 4.7=51, 1.8/868=17...(55) * HB2 LYS 94 + HE2 LYS 94 OK 54 100 55 98 2.0-5.1 4.8=49, 4191/3.0=30...(32) HB2 LYS 94 + HE3 LYS 94 OK 48 98 50 98 2.0-4.8 4.8=49, 4191/3.0=30...(31) HB2 LYS 20 + HE3 LYS 20 OK 47 69 70 98 2.0-4.7 4.7=51, 1.8/4193=14...(67) HB2 LYS 20 + HE2 LYS 20 OK 46 68 70 97 2.3-5.5 4.7=51, 4.0/6314=15...(65) HB3 LYS 73 + HE3 LYS 73 OK 30 40 75 99 2.4-4.5 4.9=46, ~3236=10...(105) HB2 LYS 73 - HE3 LYS 73 poor 17 39 45 - 2.7-5.1 HB3 ARG 19 - HE2 LYS 20 far 5 98 5 - 4.0-7.0 HB2 GLU 17 - HE2 LYS 20 far 4 90 5 - 3.8-8.0 HB2 GLU 17 - HE3 LYS 20 far 0 91 0 - 4.9-7.8 HB3 LYS 20 - HE3 LYS 90 far 0 86 0 - 5.2-7.6 HB3 ARG 19 - HE3 LYS 20 far 0 98 0 - 5.2-7.2 HB2 ARG 19 - HE2 LYS 20 far 0 74 0 - 5.3-8.3 HB2 ARG 19 - HE3 LYS 20 far 0 74 0 - 5.7-8.5 HB2 LYS 20 - HE3 LYS 90 far 0 59 0 - 6.5-7.8 HB3 LYS 13 - HE2 LYS 20 far 0 97 0 - 7.3-10.5 HB3 LYS 13 - HE3 LYS 90 far 0 89 0 - 7.6-10.5 HB3 LYS 13 - HE3 LYS 20 far 0 98 0 - 7.9-11.7 HB2 LYS 73 - HE2 LYS 66 far 0 40 0 - 8.0-11.8 HB2 LYS 73 - HE3 LYS 66 far 0 51 0 - 8.0-11.6 HB2 LYS 94 - HE3 LYS 90 far 0 90 0 - 8.3-10.7 HB2 LYS 13 - HE2 LYS 20 far 0 98 0 - 8.4-11.8 HB3 ARG 19 - HE3 LYS 90 far 0 89 0 - 8.8-10.2 HG LEU 42 - HE3 LYS 73 far 0 50 0 - 8.9-13.9 HB3 LYS 73 - HE3 LYS 66 far 0 52 0 - 9.0-12.4 HB2 LYS 73 - HE3 LYS 68 far 0 60 0 - 9.1-12.1 HB3 LEU 14 - HE2 LYS 20 far 0 89 0 - 9.1-12.8 HB3 LYS 73 - HE2 LYS 66 far 0 42 0 - 9.1-12.7 HB2 LYS 13 - HE3 LYS 20 far 0 98 0 - 9.2-13.0 HB2 LYS 13 - HE3 LYS 90 far 0 89 0 - 9.3-11.9 HB3 LEU 14 - HE3 LYS 90 far 0 78 0 - 9.3-11.1 HG3 GLU 88 - HE3 LYS 90 far 0 77 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 4255 from cnoeabs.peaks (2.02, 2.92, 41.80 ppm; 4.56 A increased from 4.29 A): 3 out of 32 assignments used, quality = 1.00: * HB3 LYS 94 + HE2 LYS 94 OK 100 100 100 100 2.8-4.8 4.8=87, 4206/1.8=30...(50) HB3 LYS 94 + HE3 LYS 94 OK 98 98 100 100 2.8-4.7 4.8=87, 4206/1.8=37...(52) HB3 GLU 17 + HE3 LYS 90 OK 70 83 85 100 3.6-5.8 10433/3.0=73...(24) HB3 GLU 17 - HE2 LYS 20 poor 19 93 20 - 4.5-7.9 HB2 GLU 98 - HE2 LYS 94 far 4 90 5 - 4.4-8.9 HB2 GLU 98 - HE3 LYS 94 far 4 85 5 - 4.5-8.4 HB2 GLU 62 - HE2 LYS 66 far 3 69 5 - 4.4-7.7 QE MET 74 - HE3 LYS 73 far 3 56 5 - 4.1-9.4 HB3 GLU 98 - HE2 LYS 94 far 0 91 0 - 5.0-10.0 HB2 MET 21 - HE2 LYS 20 far 0 77 0 - 5.1-8.7 HB2 MET 21 - HE3 LYS 90 far 0 67 0 - 5.2-5.9 HB2 GLU 62 - HE3 LYS 66 far 0 83 0 - 5.2-7.9 HB3 GLU 98 - HE3 LYS 94 far 0 87 0 - 5.3-9.3 HB2 MET 21 - HE3 LYS 20 far 0 78 0 - 5.4-8.6 HB2 GLU 35 - HE2 LYS 66 far 0 64 0 - 5.5-9.7 HB3 GLU 17 - HE3 LYS 20 far 0 93 0 - 5.6-8.3 HB2 GLU 35 - HE3 LYS 66 far 0 78 0 - 6.0-9.8 HB3 LYS 94 - HE3 LYS 90 far 0 90 0 - 6.9-9.9 QE MET 74 - HE2 LYS 66 far 0 58 0 - 7.8-12.3 HB2 MET 21 - HE2 LYS 94 far 0 81 0 - 8.3-10.9 HB2 MET 21 - HE3 LYS 94 far 0 76 0 - 8.4-10.5 HB3 GLU 99 - HE2 LYS 94 far 0 96 0 - 8.5-13.3 QE MET 74 - HE3 LYS 66 far 0 72 0 - 8.8-12.0 HB2 GLU 99 - HE2 LYS 94 far 0 91 0 - 8.9-11.7 HB2 GLU 35 - HE3 LYS 73 far 0 62 0 - 9.2-14.1 HB2 GLU 62 - HE3 LYS 68 far 0 94 0 - 9.2-12.5 HG12 ILE 93 - HE3 LYS 90 far 0 84 0 - 9.3-10.2 HB2 GLU 99 - HE3 LYS 94 far 0 87 0 - 9.3-13.0 HB2 GLU 62 - HE2 LYS 68 far 0 96 0 - 9.4-12.6 HG12 ILE 93 - HE3 LYS 94 far 0 93 0 - 9.5-11.4 HG12 ILE 93 - HE2 LYS 20 far 0 94 0 - 9.8-12.9 HG12 ILE 93 - HE2 LYS 94 far 0 96 0 - 9.8-11.9 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 94 100 95 99 2.0-4.1 3.9=79, 2.9/4206=21...(43) HG3 LYS 68 + HE3 LYS 68 OK 92 93 100 99 2.3-3.7 3.6=99 HG2 LYS 94 + HE3 LYS 94 OK 82 98 85 99 2.2-4.2 3.9=79, 2.9/4206=17...(45) HG3 LYS 68 + HE2 LYS 68 OK 71 95 75 99 2.4-4.1 3.6=99 QB ALA 67 - HE3 LYS 68 far 0 96 0 - 4.1-7.2 HG2 LYS 39 - HE3 LYS 73 far 0 67 0 - 4.6-10.8 QB ALA 25 - HE3 LYS 94 far 0 98 0 - 4.7-8.5 QB ALA 25 - HE2 LYS 94 far 0 100 0 - 5.0-8.9 HB2 LEU 70 - HE2 LYS 66 far 0 47 0 - 5.0-9.1 QB ALA 67 - HE2 LYS 68 far 0 97 0 - 5.2-7.1 HB2 LEU 70 - HE3 LYS 73 far 0 45 0 - 5.2-9.5 QB ALA 89 - HE3 LYS 90 far 0 90 0 - 5.2-6.1 HB2 LEU 70 - HE3 LYS 66 far 0 59 0 - 5.4-9.0 HG3 LYS 68 - HE3 LYS 66 far 0 82 0 - 6.0-9.8 QB ALA 67 - HE3 LYS 66 far 0 85 0 - 6.3-8.4 QB ALA 67 - HE2 LYS 66 far 0 71 0 - 6.3-8.4 HB2 LYS 82 - HE3 LYS 68 far 0 95 0 - 6.5-10.3 HB2 LYS 82 - HE2 LYS 68 far 0 97 0 - 6.7-10.5 QB ALA 89 - HE2 LYS 20 far 0 99 0 - 7.0-10.2 HG3 LYS 68 - HE2 LYS 66 far 0 68 0 - 7.0-9.4 HG2 LYS 94 - HE3 LYS 90 far 0 90 0 - 7.4-11.9 HG LEU 14 - HE3 LYS 90 far 0 87 0 - 7.6-9.0 QB ALA 89 - HE3 LYS 20 far 0 99 0 - 7.7-10.0 HG3 LYS 68 - HE3 LYS 73 far 0 65 0 - 7.7-11.5 HB3 LEU 42 - HE3 LYS 73 far 0 37 0 - 7.8-12.8 HG LEU 14 - HE2 LYS 20 far 0 96 0 - 8.2-12.2 QB ALA 89 - HE3 LYS 94 far 0 98 0 - 8.3-11.4 HG2 LYS 39 - HE2 LYS 66 far 0 70 0 - 8.5-13.1 QB ALA 89 - HE2 LYS 94 far 0 100 0 - 8.7-11.5 HG2 LYS 39 - HE3 LYS 66 far 0 84 0 - 8.7-12.9 QB ALA 67 - HE3 LYS 73 far 0 68 0 - 8.7-11.9 HB2 LEU 70 - HE3 LYS 68 far 0 70 0 - 8.7-10.5 HB2 LEU 70 - HE2 LYS 68 far 0 72 0 - 9.0-10.7 QB ALA 25 - HE3 LYS 90 far 0 90 0 - 9.2-10.5 QB ALA 25 - HE3 LYS 20 far 0 99 0 - 9.4-12.2 QB ALA 25 - HE2 LYS 20 far 0 99 0 - 9.5-11.9 HG LEU 14 - HE3 LYS 20 far 0 97 0 - 9.5-12.5 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 99 100 100 99 2.0-4.0 3.9=85, 4235/3.0=22...(42) HG3 LYS 94 + HE3 LYS 94 OK 83 98 85 99 2.1-4.2 3.9=85, 4235/3.0=22...(44) HG3 LYS 68 + HE3 LYS 68 OK 66 66 100 100 2.3-3.7 3.6=100 HG3 LYS 68 + HE2 LYS 68 OK 65 68 95 100 2.4-4.1 3.6=100 HG2 LYS 39 - HE3 LYS 73 far 0 37 0 - 4.6-10.8 HB2 LEU 70 - HE2 LYS 66 far 0 67 0 - 5.0-9.1 HB2 LEU 70 - HE3 LYS 73 far 0 64 0 - 5.2-9.5 HB2 LEU 70 - HE3 LYS 66 far 0 81 0 - 5.4-9.0 HG3 LYS 68 - HE3 LYS 66 far 0 56 0 - 6.0-9.8 QB ALA 71 - HE2 LYS 68 far 0 72 0 - 6.4-8.6 HB2 LYS 82 - HE3 LYS 68 far 0 55 0 - 6.5-10.3 QB ALA 71 - HE3 LYS 68 far 0 70 0 - 6.5-8.1 HB2 LYS 82 - HE2 LYS 68 far 0 57 0 - 6.7-10.5 QB ALA 71 - HE3 LYS 73 far 0 45 0 - 7.0-9.6 HG3 LYS 68 - HE2 LYS 66 far 0 45 0 - 7.0-9.4 HG LEU 14 - HE3 LYS 90 far 0 62 0 - 7.6-9.0 HG3 LYS 68 - HE3 LYS 73 far 0 43 0 - 7.7-11.5 HG3 LYS 94 - HE3 LYS 90 far 0 90 0 - 7.7-12.5 QB ALA 71 - HE2 LYS 66 far 0 47 0 - 7.9-10.6 QB ALA 71 - HE3 LYS 66 far 0 59 0 - 8.0-10.9 HG LEU 14 - HE2 LYS 20 far 0 72 0 - 8.2-12.2 HG2 LYS 39 - HE2 LYS 66 far 0 39 0 - 8.5-13.1 HG2 LYS 39 - HE3 LYS 66 far 0 49 0 - 8.7-12.9 HB2 LEU 70 - HE3 LYS 68 far 0 92 0 - 8.7-10.5 HB2 LEU 70 - HE2 LYS 68 far 0 94 0 - 9.0-10.7 HG LEU 14 - HE3 LYS 20 far 0 73 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 4258 from cnoeabs.peaks (1.62, 2.92, 41.80 ppm; 3.09 A increased from 2.75 A): 12 out of 56 assignments used, quality = 1.00: * HD2 LYS 94 + HE2 LYS 94 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 94 + HE3 LYS 94 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 94 + HE2 LYS 94 OK 84 84 100 100 2.3-3.0 3.0=100 HD3 LYS 94 + HE3 LYS 94 OK 80 80 100 100 2.4-3.0 3.0=100 HD3 LYS 68 + HE2 LYS 68 OK 77 77 100 100 2.2-3.0 3.0=100 HD2 LYS 68 + HE2 LYS 68 OK 75 75 100 100 2.2-3.0 3.0=100 HD3 LYS 68 + HE3 LYS 68 OK 75 75 100 100 2.4-3.0 3.0=100 HD2 LYS 68 + HE3 LYS 68 OK 73 73 100 100 2.3-3.0 3.0=100 HD2 LYS 66 + HE3 LYS 66 OK 69 69 100 100 2.3-3.0 2.9=100 HG2 LYS 68 + HE3 LYS 68 OK 59 87 70 97 2.3-4.2 3.6=63, 1.8/4256=15...(63) HD2 LYS 66 + HE2 LYS 66 OK 56 56 100 100 2.3-3.0 2.9=100 HG2 LYS 68 + HE2 LYS 68 OK 26 89 30 97 2.8-4.2 3.6=63, 1.8/4256=11...(63) HG3 LYS 73 - HE3 LYS 73 poor 15 50 30 - 2.1-4.2 HD3 LYS 39 - HE3 LYS 73 far 0 60 0 - 3.6-11.5 HD2 LYS 39 - HE3 LYS 73 far 0 45 0 - 4.0-12.2 HG2 ARG 19 - HE2 LYS 20 far 0 56 0 - 5.2-10.0 HG2 LYS 68 - HE3 LYS 66 far 0 75 0 - 5.6-9.4 HD2 LYS 94 - HE3 LYS 90 far 0 90 0 - 5.8-11.6 HG2 LYS 24 - HE3 LYS 94 far 0 58 0 - 6.5-13.1 HD2 LYS 68 - HE3 LYS 66 far 0 62 0 - 6.5-11.8 HG2 LYS 24 - HE3 LYS 20 far 0 59 0 - 6.5-10.8 HG2 ARG 19 - HE3 LYS 20 far 0 57 0 - 6.7-9.8 HG2 LYS 68 - HE2 LYS 66 far 0 62 0 - 6.7-9.1 HB3 ARG 79 - HE2 LYS 68 far 0 72 0 - 6.8-12.3 HD3 LYS 94 - HE3 LYS 90 far 0 70 0 - 6.8-11.7 HD3 LYS 68 - HE3 LYS 66 far 0 63 0 - 6.8-11.8 HG2 LYS 24 - HE2 LYS 20 far 0 58 0 - 7.0-10.6 HD2 LYS 39 - HE2 LYS 66 far 0 47 0 - 7.1-12.9 HD2 LYS 66 - HE3 LYS 73 far 0 54 0 - 7.1-11.8 HG2 LYS 24 - HE2 LYS 94 far 0 61 0 - 7.3-12.8 HD3 LYS 68 - HE2 LYS 66 far 0 51 0 - 7.5-11.5 HB3 ARG 79 - HE3 LYS 68 far 0 70 0 - 7.8-12.8 HD2 LYS 68 - HE2 LYS 66 far 0 50 0 - 7.8-11.6 HB2 ARG 79 - HE2 LYS 68 far 0 82 0 - 7.9-12.8 HD2 LYS 39 - HE3 LYS 66 far 0 59 0 - 7.9-13.4 HG3 LYS 73 - HE2 LYS 66 far 0 53 0 - 7.9-11.8 HD2 LYS 66 - HE3 LYS 68 far 0 81 0 - 8.0-11.9 HG3 LYS 73 - HE3 LYS 66 far 0 65 0 - 8.1-12.0 HG3 LYS 12 - HE2 LYS 20 far 0 74 0 - 8.4-13.5 HG LEU 27 - HE3 LYS 94 far 0 80 0 - 8.5-12.8 HD3 LYS 39 - HE2 LYS 66 far 0 63 0 - 8.7-13.4 HD2 LYS 66 - HE2 LYS 68 far 0 83 0 - 8.7-12.0 HB2 ARG 79 - HE3 LYS 68 far 0 79 0 - 8.9-13.2 HG LEU 27 - HE2 LYS 94 far 0 84 0 - 9.0-13.6 HG2 LYS 24 - HE3 LYS 90 far 0 50 0 - 9.0-11.8 HB ILE 76 - HE3 LYS 73 far 0 57 0 - 9.1-12.7 HG3 LYS 73 - HE2 LYS 68 far 0 78 0 - 9.1-12.5 HG2 LYS 68 - HE3 LYS 73 far 0 59 0 - 9.2-12.3 HD3 LYS 68 - HE3 LYS 73 far 0 49 0 - 9.3-14.2 HG3 LYS 73 - HE3 LYS 68 far 0 76 0 - 9.3-12.3 HG2 ARG 19 - HE3 LYS 90 far 0 48 0 - 9.3-11.7 HD3 LYS 39 - HE3 LYS 66 far 0 76 0 - 9.3-14.1 HD2 LYS 68 - HE3 LYS 73 far 0 48 0 - 9.5-14.4 HG3 LYS 12 - HE3 LYS 20 far 0 74 0 - 9.6-14.7 HB3 LEU 29 - HE2 LYS 20 far 0 77 0 - 9.7-12.3 HB3 LEU 29 - HE3 LYS 20 far 0 78 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 4259 from cnoeabs.peaks (1.60, 2.92, 41.80 ppm; 2.93 A): 7 out of 39 assignments used, quality = 1.00: * HD3 LYS 94 + HE2 LYS 94 OK 99 100 100 99 2.3-3.0 3.0=98, 3.5/4206=12...(32) HD3 LYS 94 + HE3 LYS 94 OK 98 98 100 99 2.4-3.0 3.0=98, 3.5/4206=9...(31) HD2 LYS 66 + HE3 LYS 66 OK 85 85 100 100 2.3-3.0 2.9=100 HD2 LYS 94 + HE2 LYS 94 OK 83 84 100 99 2.4-3.0 3.0=98, 3.5/4206=12...(26) HD2 LYS 94 + HE3 LYS 94 OK 79 80 100 99 2.2-3.0 3.0=98, 3.5/4206=9...(27) HG3 LYS 90 + HE3 LYS 90 OK 76 85 100 90 2.2-2.9 3.8=47, 1.8/4005=37...(17) HD2 LYS 66 + HE2 LYS 66 OK 70 71 100 100 2.3-3.0 2.9=100 HG3 LYS 73 - HE3 LYS 73 poor 19 68 30 95 2.1-4.2 4.0=39, 3298/3.0=19...(74) HG3 LYS 90 - HE2 LYS 20 far 0 94 0 - 4.1-9.6 HG2 ARG 19 - HE2 LYS 20 far 0 95 0 - 5.2-10.0 HG3 LYS 90 - HE3 LYS 20 far 0 95 0 - 5.3-9.2 HD2 LYS 94 - HE3 LYS 90 far 0 70 0 - 5.8-11.6 HG2 LYS 24 - HE3 LYS 94 far 0 95 0 - 6.5-13.1 HG2 LYS 24 - HE3 LYS 20 far 0 96 0 - 6.5-10.8 HG2 ARG 19 - HE3 LYS 20 far 0 96 0 - 6.7-9.8 HD3 LYS 94 - HE3 LYS 90 far 0 90 0 - 6.8-11.7 HG2 LYS 24 - HE2 LYS 20 far 0 96 0 - 7.0-10.6 HD2 LYS 66 - HE3 LYS 73 far 0 68 0 - 7.1-11.8 HG2 LYS 24 - HE2 LYS 94 far 0 98 0 - 7.3-12.8 HB2 ARG 79 - HE2 LYS 68 far 0 97 0 - 7.9-12.8 HG3 LYS 73 - HE2 LYS 66 far 0 71 0 - 7.9-11.8 HD2 LYS 66 - HE3 LYS 68 far 0 95 0 - 8.0-11.9 HG3 LYS 73 - HE3 LYS 66 far 0 85 0 - 8.1-12.0 HG3 LYS 90 - HE2 LYS 94 far 0 97 0 - 8.1-11.2 HG3 LYS 90 - HE3 LYS 94 far 0 94 0 - 8.2-10.9 HG3 LYS 12 - HE2 LYS 20 far 0 98 0 - 8.4-13.5 HG LEU 27 - HE3 LYS 94 far 0 98 0 - 8.5-12.8 HD2 LYS 66 - HE2 LYS 68 far 0 97 0 - 8.7-12.0 HD3 LYS 82 - HE2 LYS 68 far 0 68 0 - 8.8-12.9 HB2 ARG 79 - HE3 LYS 68 far 0 96 0 - 8.9-13.2 HG LEU 27 - HE2 LYS 94 far 0 100 0 - 9.0-13.6 HG2 LYS 24 - HE3 LYS 90 far 0 86 0 - 9.0-11.8 HD3 LYS 82 - HE3 LYS 68 far 0 66 0 - 9.0-13.0 HG3 LYS 73 - HE2 LYS 68 far 0 97 0 - 9.1-12.5 HG3 LYS 73 - HE3 LYS 68 far 0 96 0 - 9.3-12.3 HG2 ARG 19 - HE3 LYS 90 far 0 85 0 - 9.3-11.7 HG3 LYS 12 - HE3 LYS 20 far 0 99 0 - 9.6-14.7 HB3 LEU 29 - HE2 LYS 20 far 0 99 0 - 9.7-12.3 HB3 LEU 29 - HE3 LYS 20 far 0 99 0 - 9.9-12.5 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 26 assignments used, quality = 1.00: * HA LYS 94 + HE3 LYS 94 OK 100 100 100 100 3.8-6.4 6.0=100 HA LYS 94 + HE2 LYS 94 OK 88 98 90 100 3.9-6.7 6.0=100 HA ARG 91 + HE3 LYS 94 OK 62 90 75 92 2.2-7.2 4242/3.0=29, 4021/7.3=28...(10) HA ARG 91 + HE2 LYS 94 OK 55 85 70 92 2.9-7.2 4242/3.0=29, 4021/7.3=28...(10) HA ALA 67 + HE2 LYS 66 OK 20 86 25 95 5.8-8.9 ~2951=53, ~7090=46...(10) HA ALA 67 - HE3 LYS 66 far 9 94 10 - 6.0-8.9 HA GLU 35 - HE2 LYS 66 far 4 77 5 - 6.2-10.1 HA ARG 91 - HE3 LYS 90 far 3 57 5 - 6.4-8.6 HA GLU 35 - HE3 LYS 66 far 0 86 0 - 6.5-9.6 HA ALA 67 - HE3 LYS 68 far 0 98 0 - 6.6-9.5 HA ALA 67 - HE2 LYS 68 far 0 98 0 - 7.8-9.4 HA LYS 12 - HE2 LYS 20 far 0 98 0 - 7.8-11.9 HA ALA 89 - HE3 LYS 90 far 0 40 0 - 8.1-8.8 HA ALA 22 - HE3 LYS 94 far 0 59 0 - 8.3-11.8 HA ALA 89 - HE3 LYS 94 far 0 68 0 - 8.5-12.7 HA LYS 12 - HE3 LYS 20 far 0 98 0 - 9.1-12.7 HA ALA 22 - HE2 LYS 20 far 0 59 0 - 9.1-11.7 HB2 SER 85 - HE3 LYS 90 far 0 38 0 - 9.2-10.6 HA LYS 94 - HE3 LYS 90 far 0 71 0 - 9.2-11.5 HA ALA 22 - HE2 LYS 94 far 0 56 0 - 9.3-11.8 HA ALA 71 - HE2 LYS 66 far 0 78 0 - 9.3-13.1 HA ALA 22 - HE3 LYS 20 far 0 59 0 - 9.3-12.2 HA ALA 89 - HE2 LYS 94 far 0 63 0 - 9.3-12.9 HA ALA 71 - HE3 LYS 68 far 0 91 0 - 9.4-11.4 HA ALA 71 - HE2 LYS 68 far 0 92 0 - 9.5-11.9 HA ALA 71 - HE3 LYS 66 far 0 87 0 - 9.5-13.1 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 31 assignments used, quality = 1.00: HB3 LYS 20 + HE3 LYS 20 OK 67 98 70 98 2.0-4.5 4.7=51, 1.8/868=15...(57) HB3 LYS 20 + HE2 LYS 20 OK 57 98 60 98 2.1-4.7 4.7=51, 1.8/868=17...(55) HB2 LYS 94 + HE2 LYS 94 OK 53 98 55 98 2.0-5.1 4.8=49, 4191/3.0=30...(32) HB2 GLU 17 + HE3 LYS 90 OK 51 61 90 93 2.1-4.1 ~10433=36, 12027/3.8=31...(18) * HB2 LYS 94 + HE3 LYS 94 OK 49 100 50 98 2.0-4.8 4.8=49, 4191/3.0=30...(31) HB2 LYS 20 + HE2 LYS 20 OK 49 71 70 97 2.3-5.5 4.7=51, 4.0/6313=15...(65) HB2 LYS 20 + HE3 LYS 20 OK 49 71 70 98 2.0-4.7 4.7=51, 1.8/4194=14...(67) HB3 ARG 19 - HE2 LYS 20 far 5 100 5 - 4.0-7.0 HB2 GLU 17 - HE2 LYS 20 far 5 93 5 - 3.8-8.0 HB2 GLU 17 - HE3 LYS 20 far 0 93 0 - 4.9-7.8 HB3 LYS 20 - HE3 LYS 90 far 0 67 0 - 5.2-7.6 HB3 ARG 19 - HE3 LYS 20 far 0 100 0 - 5.2-7.2 HB2 ARG 19 - HE2 LYS 20 far 0 77 0 - 5.3-8.3 HB2 ARG 19 - HE3 LYS 20 far 0 77 0 - 5.7-8.5 HB2 LYS 20 - HE3 LYS 90 far 0 43 0 - 6.5-7.8 HB3 LYS 13 - HE2 LYS 20 far 0 99 0 - 7.3-10.5 HB3 LYS 13 - HE3 LYS 90 far 0 69 0 - 7.6-10.5 HB3 LYS 13 - HE3 LYS 20 far 0 99 0 - 7.9-11.7 HB2 LYS 73 - HE2 LYS 66 far 0 55 0 - 8.0-11.8 HB2 LYS 73 - HE3 LYS 66 far 0 63 0 - 8.0-11.6 HB2 LYS 94 - HE3 LYS 90 far 0 71 0 - 8.3-10.7 HB2 LYS 13 - HE2 LYS 20 far 0 100 0 - 8.4-11.8 HB3 ARG 19 - HE3 LYS 90 far 0 69 0 - 8.8-10.2 HB3 LYS 73 - HE3 LYS 66 far 0 64 0 - 9.0-12.4 HB2 LYS 73 - HE3 LYS 68 far 0 67 0 - 9.1-12.1 HB3 LEU 14 - HE2 LYS 20 far 0 92 0 - 9.1-12.8 HB3 LYS 73 - HE2 LYS 66 far 0 57 0 - 9.1-12.7 HB2 LYS 13 - HE3 LYS 20 far 0 100 0 - 9.2-13.0 HB2 LYS 13 - HE3 LYS 90 far 0 70 0 - 9.3-11.9 HB3 LEU 14 - HE3 LYS 90 far 0 60 0 - 9.3-11.1 HG3 GLU 88 - HE3 LYS 90 far 0 58 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 4266 from cnoeabs.peaks (2.02, 2.91, 41.80 ppm; 4.56 A increased from 4.29 A): 3 out of 30 assignments used, quality = 1.00: * HB3 LYS 94 + HE3 LYS 94 OK 100 100 100 100 2.8-4.7 4.8=87, 4206/1.8=37...(52) HB3 LYS 94 + HE2 LYS 94 OK 98 98 100 100 2.8-4.8 4.8=87, 4206/1.8=30...(50) HB3 GLU 17 + HE3 LYS 90 OK 54 63 85 100 3.6-5.8 10433/3.0=73...(23) HB3 GLU 17 - HE2 LYS 20 poor 19 96 20 - 4.5-7.9 HB2 GLU 98 - HE3 LYS 94 far 4 90 5 - 4.5-8.4 HB2 GLU 62 - HE2 LYS 66 far 4 89 5 - 4.4-7.7 HB2 GLU 98 - HE2 LYS 94 far 4 85 5 - 4.4-8.9 HB3 GLU 98 - HE2 LYS 94 far 0 87 0 - 5.0-10.0 HB2 MET 21 - HE2 LYS 20 far 0 81 0 - 5.1-8.7 HB2 MET 21 - HE3 LYS 90 far 0 50 0 - 5.2-5.9 HB2 GLU 62 - HE3 LYS 66 far 0 96 0 - 5.2-7.9 HB3 GLU 98 - HE3 LYS 94 far 0 91 0 - 5.3-9.3 HB2 MET 21 - HE3 LYS 20 far 0 80 0 - 5.4-8.6 HB2 GLU 35 - HE2 LYS 66 far 0 84 0 - 5.5-9.7 HB3 GLU 17 - HE3 LYS 20 far 0 95 0 - 5.6-8.3 HB2 GLU 35 - HE3 LYS 66 far 0 92 0 - 6.0-9.8 HB3 LYS 94 - HE3 LYS 90 far 0 71 0 - 6.9-9.9 QE MET 74 - HE2 LYS 66 far 0 77 0 - 7.8-12.3 HB2 MET 21 - HE2 LYS 94 far 0 76 0 - 8.3-10.9 HB2 MET 21 - HE3 LYS 94 far 0 81 0 - 8.4-10.5 HB3 GLU 99 - HE2 LYS 94 far 0 93 0 - 8.5-13.3 QE MET 74 - HE3 LYS 66 far 0 86 0 - 8.8-12.0 HB2 GLU 99 - HE2 LYS 94 far 0 87 0 - 8.9-11.7 HB2 GLU 62 - HE3 LYS 68 far 0 99 0 - 9.2-12.5 HG12 ILE 93 - HE3 LYS 90 far 0 64 0 - 9.3-10.2 HB2 GLU 99 - HE3 LYS 94 far 0 91 0 - 9.3-13.0 HB2 GLU 62 - HE2 LYS 68 far 0 100 0 - 9.4-12.6 HG12 ILE 93 - HE3 LYS 94 far 0 96 0 - 9.5-11.4 HG12 ILE 93 - HE2 LYS 20 far 0 96 0 - 9.8-12.9 HG12 ILE 93 - HE2 LYS 94 far 0 93 0 - 9.8-11.9 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: HG3 LYS 68 + HE3 LYS 68 OK 98 99 100 99 2.3-3.7 3.6=99 HG2 LYS 94 + HE2 LYS 94 OK 92 98 95 99 2.0-4.1 3.9=79, 2.9/4206=21...(43) * HG2 LYS 94 + HE3 LYS 94 OK 84 100 85 99 2.2-4.2 3.9=79, 2.9/4206=17...(45) HG3 LYS 68 + HE2 LYS 68 OK 74 99 75 99 2.4-4.1 3.6=99 QB ALA 67 - HE3 LYS 68 far 0 100 0 - 4.1-7.2 QB ALA 25 - HE3 LYS 94 far 0 100 0 - 4.7-8.5 QB ALA 25 - HE2 LYS 94 far 0 98 0 - 5.0-8.9 HB2 LEU 70 - HE2 LYS 66 far 0 64 0 - 5.0-9.1 QB ALA 67 - HE2 LYS 68 far 0 100 0 - 5.2-7.1 QB ALA 89 - HE3 LYS 90 far 0 71 0 - 5.2-6.1 HB2 LEU 70 - HE3 LYS 66 far 0 72 0 - 5.4-9.0 HG3 LYS 68 - HE3 LYS 66 far 0 95 0 - 6.0-9.8 QB ALA 67 - HE3 LYS 66 far 0 97 0 - 6.3-8.4 QB ALA 67 - HE2 LYS 66 far 0 90 0 - 6.3-8.4 HB2 LYS 82 - HE3 LYS 68 far 0 100 0 - 6.5-10.3 HB2 LYS 82 - HE2 LYS 68 far 0 100 0 - 6.7-10.5 QB ALA 89 - HE2 LYS 20 far 0 100 0 - 7.0-10.2 HG3 LYS 68 - HE2 LYS 66 far 0 87 0 - 7.0-9.4 HG2 LYS 94 - HE3 LYS 90 far 0 71 0 - 7.4-11.9 HG LEU 14 - HE3 LYS 90 far 0 67 0 - 7.6-9.0 QB ALA 89 - HE3 LYS 20 far 0 100 0 - 7.7-10.0 HG LEU 14 - HE2 LYS 20 far 0 98 0 - 8.2-12.2 QB ALA 89 - HE3 LYS 94 far 0 100 0 - 8.3-11.4 HG2 LYS 39 - HE2 LYS 66 far 0 89 0 - 8.5-13.1 QB ALA 89 - HE2 LYS 94 far 0 98 0 - 8.7-11.5 HG2 LYS 39 - HE3 LYS 66 far 0 97 0 - 8.7-12.9 HB2 LEU 70 - HE3 LYS 68 far 0 77 0 - 8.7-10.5 HB2 LEU 70 - HE2 LYS 68 far 0 77 0 - 9.0-10.7 QB ALA 25 - HE3 LYS 90 far 0 71 0 - 9.2-10.5 QB ALA 25 - HE3 LYS 20 far 0 100 0 - 9.4-12.2 QB ALA 25 - HE2 LYS 20 far 0 100 0 - 9.5-11.9 HG LEU 14 - HE3 LYS 20 far 0 98 0 - 9.5-12.5 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 + HE2 LYS 94 OK 97 98 100 99 2.0-4.0 3.9=85, 2.9/4206=22...(42) * HG3 LYS 94 + HE3 LYS 94 OK 84 100 85 99 2.1-4.2 3.9=85, 4235/3.0=22...(44) HG3 LYS 68 + HE3 LYS 68 OK 73 73 100 100 2.3-3.7 3.6=100 HG3 LYS 68 + HE2 LYS 68 OK 70 73 95 100 2.4-4.1 3.6=100 HB2 LEU 70 - HE2 LYS 66 far 0 86 0 - 5.0-9.1 HB2 LEU 70 - HE3 LYS 66 far 0 94 0 - 5.4-9.0 HG3 LYS 68 - HE3 LYS 66 far 0 68 0 - 6.0-9.8 QB ALA 71 - HE2 LYS 68 far 0 77 0 - 6.4-8.6 HB2 LYS 82 - HE3 LYS 68 far 0 61 0 - 6.5-10.3 QB ALA 71 - HE3 LYS 68 far 0 77 0 - 6.5-8.1 HB2 LYS 82 - HE2 LYS 68 far 0 61 0 - 6.7-10.5 HG3 LYS 68 - HE2 LYS 66 far 0 60 0 - 7.0-9.4 HG LEU 14 - HE3 LYS 90 far 0 46 0 - 7.6-9.0 HG3 LYS 94 - HE3 LYS 90 far 0 71 0 - 7.7-12.5 QB ALA 71 - HE2 LYS 66 far 0 64 0 - 7.9-10.6 QB ALA 71 - HE3 LYS 66 far 0 72 0 - 8.0-10.9 HG LEU 14 - HE2 LYS 20 far 0 75 0 - 8.2-12.2 HG2 LYS 39 - HE2 LYS 66 far 0 53 0 - 8.5-13.1 HG2 LYS 39 - HE3 LYS 66 far 0 61 0 - 8.7-12.9 HB2 LEU 70 - HE3 LYS 68 far 0 98 0 - 8.7-10.5 HB2 LEU 70 - HE2 LYS 68 far 0 98 0 - 9.0-10.7 HG LEU 14 - HE3 LYS 20 far 0 75 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 4269 from cnoeabs.peaks (1.62, 2.91, 41.80 ppm; 3.09 A increased from 2.75 A): 12 out of 48 assignments used, quality = 1.00: * HD2 LYS 94 + HE3 LYS 94 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 94 + HE2 LYS 94 OK 98 98 100 100 2.4-3.0 3.0=100 HD3 LYS 94 + HE3 LYS 94 OK 84 84 100 100 2.4-3.0 3.0=100 HD2 LYS 66 + HE3 LYS 66 OK 83 83 100 100 2.3-3.0 2.9=100 HD3 LYS 68 + HE2 LYS 68 OK 82 82 100 100 2.2-3.0 3.0=100 HD3 LYS 68 + HE3 LYS 68 OK 82 82 100 100 2.4-3.0 3.0=100 HD2 LYS 68 + HE2 LYS 68 OK 81 81 100 100 2.2-3.0 3.0=100 HD2 LYS 68 + HE3 LYS 68 OK 80 80 100 100 2.3-3.0 3.0=100 HD3 LYS 94 + HE2 LYS 94 OK 80 80 100 100 2.3-3.0 3.0=100 HD2 LYS 66 + HE2 LYS 66 OK 75 75 100 100 2.3-3.0 2.9=100 HG2 LYS 68 + HE3 LYS 68 OK 64 94 70 97 2.3-4.2 3.6=63, 1.8/4267=15...(64) HG2 LYS 68 + HE2 LYS 68 OK 27 94 30 97 2.8-4.2 3.6=63, 1.8/4267=12...(64) HG2 ARG 19 - HE2 LYS 20 far 0 59 0 - 5.2-10.0 HG2 LYS 68 - HE3 LYS 66 far 0 89 0 - 5.6-9.4 HD2 LYS 94 - HE3 LYS 90 far 0 71 0 - 5.8-11.6 HG2 LYS 24 - HE3 LYS 94 far 0 61 0 - 6.5-13.1 HD2 LYS 68 - HE3 LYS 66 far 0 75 0 - 6.5-11.8 HG2 LYS 24 - HE3 LYS 20 far 0 61 0 - 6.5-10.8 HG2 ARG 19 - HE3 LYS 20 far 0 59 0 - 6.7-9.8 HG2 LYS 68 - HE2 LYS 66 far 0 81 0 - 6.7-9.1 HB3 ARG 79 - HE2 LYS 68 far 0 77 0 - 6.8-12.3 HD3 LYS 94 - HE3 LYS 90 far 0 53 0 - 6.8-11.7 HD3 LYS 68 - HE3 LYS 66 far 0 77 0 - 6.8-11.8 HG2 LYS 24 - HE2 LYS 20 far 0 61 0 - 7.0-10.6 HD2 LYS 39 - HE2 LYS 66 far 0 64 0 - 7.1-12.9 HG2 LYS 24 - HE2 LYS 94 far 0 58 0 - 7.3-12.8 HD3 LYS 68 - HE2 LYS 66 far 0 69 0 - 7.5-11.5 HB3 ARG 79 - HE3 LYS 68 far 0 77 0 - 7.8-12.8 HD2 LYS 68 - HE2 LYS 66 far 0 67 0 - 7.8-11.6 HB2 ARG 79 - HE2 LYS 68 far 0 87 0 - 7.9-12.8 HD2 LYS 39 - HE3 LYS 66 far 0 72 0 - 7.9-13.4 HG3 LYS 73 - HE2 LYS 66 far 0 70 0 - 7.9-11.8 HD2 LYS 66 - HE3 LYS 68 far 0 88 0 - 8.0-11.9 HG3 LYS 73 - HE3 LYS 66 far 0 78 0 - 8.1-12.0 HG3 LYS 12 - HE2 LYS 20 far 0 77 0 - 8.4-13.5 HG LEU 27 - HE3 LYS 94 far 0 84 0 - 8.5-12.8 HD3 LYS 39 - HE2 LYS 66 far 0 82 0 - 8.7-13.4 HD2 LYS 66 - HE2 LYS 68 far 0 88 0 - 8.7-12.0 HB2 ARG 79 - HE3 LYS 68 far 0 86 0 - 8.9-13.2 HG LEU 27 - HE2 LYS 94 far 0 80 0 - 9.0-13.6 HG2 LYS 24 - HE3 LYS 90 far 0 36 0 - 9.0-11.8 HG3 LYS 73 - HE2 LYS 68 far 0 84 0 - 9.1-12.5 HG3 LYS 73 - HE3 LYS 68 far 0 83 0 - 9.3-12.3 HG2 ARG 19 - HE3 LYS 90 far 0 35 0 - 9.3-11.7 HD3 LYS 39 - HE3 LYS 66 far 0 90 0 - 9.3-14.1 HG3 LYS 12 - HE3 LYS 20 far 0 77 0 - 9.6-14.7 HB3 LEU 29 - HE2 LYS 20 far 0 81 0 - 9.7-12.3 HB3 LEU 29 - HE3 LYS 20 far 0 80 0 - 9.9-12.5 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 37 assignments used, quality = 1.00: * HD3 LYS 94 + HE3 LYS 94 OK 99 100 100 99 2.4-3.0 3.0=98, 3.5/4206=9...(31) HD3 LYS 94 + HE2 LYS 94 OK 98 98 100 99 2.3-3.0 3.0=98, 3.5/4206=12...(32) HD2 LYS 66 + HE3 LYS 66 OK 97 97 100 100 2.3-3.0 2.9=100 HD2 LYS 66 + HE2 LYS 66 OK 90 90 100 100 2.3-3.0 2.9=100 HD2 LYS 94 + HE3 LYS 94 OK 83 84 100 99 2.2-3.0 3.0=98, 3.5/4206=9...(27) HD2 LYS 94 + HE2 LYS 94 OK 79 80 100 99 2.4-3.0 3.0=98, 3.5/4206=12...(26) HG3 LYS 90 + HE3 LYS 90 OK 57 65 100 87 2.2-2.9 3.8=47, 1.8/4005=22...(17) HG3 LYS 90 - HE2 LYS 20 far 0 97 0 - 4.1-9.6 HG2 ARG 19 - HE2 LYS 20 far 0 98 0 - 5.2-10.0 HG3 LYS 90 - HE3 LYS 20 far 0 97 0 - 5.3-9.2 HD2 LYS 94 - HE3 LYS 90 far 0 53 0 - 5.8-11.6 HG2 LYS 24 - HE3 LYS 94 far 0 98 0 - 6.5-13.1 HG2 LYS 24 - HE3 LYS 20 far 0 98 0 - 6.5-10.8 HG2 ARG 19 - HE3 LYS 20 far 0 97 0 - 6.7-9.8 HD3 LYS 94 - HE3 LYS 90 far 0 71 0 - 6.8-11.7 HG2 LYS 24 - HE2 LYS 20 far 0 98 0 - 7.0-10.6 HG2 LYS 24 - HE2 LYS 94 far 0 95 0 - 7.3-12.8 HB2 ARG 79 - HE2 LYS 68 far 0 100 0 - 7.9-12.8 HG3 LYS 73 - HE2 LYS 66 far 0 90 0 - 7.9-11.8 HD2 LYS 66 - HE3 LYS 68 far 0 100 0 - 8.0-11.9 HG3 LYS 73 - HE3 LYS 66 far 0 97 0 - 8.1-12.0 HG3 LYS 90 - HE2 LYS 94 far 0 94 0 - 8.1-11.2 HG3 LYS 90 - HE3 LYS 94 far 0 97 0 - 8.2-10.9 HG3 LYS 12 - HE2 LYS 20 far 0 100 0 - 8.4-13.5 HG LEU 27 - HE3 LYS 94 far 0 100 0 - 8.5-12.8 HD2 LYS 66 - HE2 LYS 68 far 0 100 0 - 8.7-12.0 HD3 LYS 82 - HE2 LYS 68 far 0 73 0 - 8.8-12.9 HB2 ARG 79 - HE3 LYS 68 far 0 100 0 - 8.9-13.2 HG LEU 27 - HE2 LYS 94 far 0 98 0 - 9.0-13.6 HG2 LYS 24 - HE3 LYS 90 far 0 67 0 - 9.0-11.8 HD3 LYS 82 - HE3 LYS 68 far 0 73 0 - 9.0-13.0 HG3 LYS 73 - HE2 LYS 68 far 0 100 0 - 9.1-12.5 HG3 LYS 73 - HE3 LYS 68 far 0 100 0 - 9.3-12.3 HG2 ARG 19 - HE3 LYS 90 far 0 66 0 - 9.3-11.7 HG3 LYS 12 - HE3 LYS 20 far 0 100 0 - 9.6-14.7 HB3 LEU 29 - HE2 LYS 20 far 0 100 0 - 9.7-12.3 HB3 LEU 29 - HE3 LYS 20 far 0 100 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 4271 from cnoeabs.peaks (2.92, 2.91, 41.80 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: HE3 LYS 20 + HE3 LYS 20 OK 100 100 - 100 HE2 LYS 20 + HE2 LYS 20 OK 99 99 - 100 HE3 LYS 94 + HE3 LYS 94 OK 99 99 - 100 HE2 LYS 68 + HE2 LYS 68 OK 99 99 - 100 HE2 LYS 94 + HE2 LYS 94 OK 98 98 - 100 HE3 LYS 68 + HE3 LYS 68 OK 98 98 - 100 HE3 LYS 66 + HE3 LYS 66 OK 88 88 - 100 HE2 LYS 66 + HE2 LYS 66 OK 72 72 - 100 HE3 LYS 90 + HE3 LYS 90 OK 63 63 - 100 Reference assignment not found: HE2 LYS 94 - HE3 LYS 94 Peak 4272 from cnoeabs.peaks (2.91, 2.91, 41.80 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: * HE3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 HE2 LYS 68 + HE2 LYS 68 OK 100 100 - 100 HE2 LYS 20 + HE2 LYS 20 OK 100 100 - 100 HE3 LYS 20 + HE3 LYS 20 OK 100 100 - 100 HE3 LYS 68 + HE3 LYS 68 OK 100 100 - 100 HE2 LYS 94 + HE2 LYS 94 OK 96 96 - 100 HE3 LYS 66 + HE3 LYS 66 OK 95 95 - 100 HE2 LYS 66 + HE2 LYS 66 OK 83 83 - 100 HE3 LYS 90 + HE3 LYS 90 OK 54 54 - 100 Peak 4274 from cnoeabs.peaks (8.36, 4.02, 59.37 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 95 + HA GLU 95 OK 100 100 100 100 2.8-2.9 3.0=100 H ILE 93 - HA GLU 95 far 0 100 0 - 6.7-7.2 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 10 assignments used, quality = 1.00: * HB2 GLU 95 + HA GLU 95 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 16 + HA GLU 16 OK 22 22 100 100 2.4-2.9 3.0=100 HB3 GLN 72 - HA GLU 69 poor 18 22 100 84 2.2-2.8 9559=34, 3.9/9554=29...(9) HG2 GLU 99 - HA GLU 95 far 5 95 5 - 3.5-5.9 HG2 GLU 98 - HA GLU 95 far 0 99 0 - 4.9-6.0 HB3 GLU 16 - HA LYS 20 far 0 28 0 - 5.8-8.7 HG3 GLU 35 - HA GLU 69 far 0 35 0 - 8.5-10.3 HG2 GLU 35 - HA GLU 69 far 0 35 0 - 9.2-11.0 HG3 PRO 86 - HA GLU 16 far 0 46 0 - 9.3-10.8 HG2 GLU 75 - HA GLU 69 far 0 21 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 4277 from cnoeabs.peaks (2.16, 4.02, 59.37 ppm; 3.02 A): 4 out of 12 assignments used, quality = 1.00: * HB3 GLU 95 + HA GLU 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 16 + HA GLU 16 OK 47 47 100 100 2.4-2.9 3.0=100 HB3 GLU 69 + HA GLU 69 OK 21 21 100 100 2.6-2.7 3.0=100 HB2 GLU 69 + HA GLU 69 OK 21 21 100 100 3.0-3.0 3.0=100 HB3 GLU 23 - HA LYS 20 poor 20 58 65 52 3.0-3.5 6366/6358=21, 705=20...(4) HG2 GLU 69 - HA GLU 69 poor 14 21 65 - 2.9-3.6 HB2 GLN 72 - HA GLU 69 far 0 35 0 - 3.6-4.3 HB3 GLU 16 - HA LYS 20 far 0 57 0 - 5.8-8.7 HB2 PRO 86 - HA GLU 16 far 0 22 0 - 7.7-8.1 HB3 GLU 23 - HA GLU 16 far 0 48 0 - 8.4-9.6 HG3 PRO 86 - HA GLU 16 far 0 24 0 - 9.3-10.8 HG2 GLU 75 - HA GLU 69 far 0 33 0 - 9.6-12.0 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 2.1-3.8 4301=71, 4302/3.0=70...(11) HG2 GLU 23 + HA LYS 20 OK 40 59 100 67 2.4-3.5 4301=29, 1035/6358=26...(5) HG3 GLU 16 + HA GLU 16 OK 34 34 100 100 3.3-3.8 1.8/712=68, 4.1=66...(16) HG2 GLU 17 - HA GLU 16 far 0 34 0 - 5.3-7.4 HG2 GLU 23 - HA GLU 16 far 0 48 0 - 6.8-8.1 HG2 GLU 17 - HA LYS 20 far 0 42 0 - 8.2-9.5 HG3 GLU 16 - HA LYS 20 far 0 42 0 - 8.5-9.3 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 2.5-3.8 4308=100, 4307/3.0=66...(19) HG3 GLN 72 + HA GLU 69 OK 33 33 100 98 3.5-4.2 3.0/9559=53...(11) HG3 GLU 23 - HA LYS 20 poor 20 33 60 - 3.8-5.0 HD2 ARG 91 - HA GLU 95 far 0 59 0 - 7.5-9.0 HG2 MET 74 - HA GLU 69 far 0 36 0 - 7.6-8.5 HG3 GLU 23 - HA GLU 16 far 0 26 0 - 7.8-9.3 Violated in 0 structures by 0.00 A. Peak 4280 from cnoeabs.peaks (8.21, 4.02, 59.37 ppm; 4.36 A): 2 out of 4 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 90 100 95 95 3.9-4.8 7567/3.0=57, 7568=48...(9) H LYS 68 - HA GLU 69 far 0 25 0 - 5.1-5.2 H LEU 27 - HA LYS 20 far 0 39 0 - 8.4-8.9 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 3.5-4.0 7592/4376=81, 7583=62...(7) 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 - 5.8-7.4 Violated in 0 structures by 0.00 A. Peak 4282 from cnoeabs.peaks (2.04, 4.02, 59.37 ppm; 3.64 A): 2 out of 16 assignments used, quality = 0.98: * HB2 GLU 98 + HA GLU 95 OK 97 100 100 97 2.4-3.6 4368=94, 7591/7583=31...(5) HB2 GLU 16 + HA GLU 16 OK 30 30 100 100 2.8-3.0 3.0=100 HB3 GLU 98 - HA GLU 95 far 0 100 0 - 4.0-5.3 HB3 GLU 99 - HA GLU 95 far 0 100 0 - 4.5-6.9 HB2 GLU 99 - HA GLU 95 far 0 100 0 - 4.7-7.0 HB3 LYS 94 - HA GLU 95 far 0 90 0 - 4.9-5.6 HB2 MET 21 - HA LYS 20 far 0 58 0 - 5.6-5.6 HB3 GLU 17 - HA GLU 16 far 0 23 0 - 5.6-5.8 HB2 GLU 16 - HA LYS 20 far 0 37 0 - 7.1-7.9 HB2 MET 21 - HA GLU 16 far 0 47 0 - 7.2-8.7 HB3 GLU 17 - HA LYS 20 far 0 29 0 - 7.9-8.7 HG12 ILE 93 - HA LYS 20 far 0 57 0 - 8.8-9.7 HG12 ILE 93 - HA GLU 95 far 0 100 0 - 9.0-9.6 HB2 MET 74 - HA GLU 69 far 0 30 0 - 9.3-10.5 HG12 ILE 93 - HA GLU 16 far 0 47 0 - 9.7-10.6 HB3 LEU 38 - HA GLU 69 far 0 24 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 4283 from cnoeabs.peaks (2.04, 4.02, 59.37 ppm; 3.64 A): 2 out of 16 assignments used, quality = 0.98: HB2 GLU 98 + HA GLU 95 OK 97 100 100 97 2.4-3.6 4376=94, 7592/7583=31...(5) HB2 GLU 16 + HA GLU 16 OK 29 29 100 100 2.8-3.0 3.0=100 ! HB3 GLU 98 - HA GLU 95 far 0 100 0 - 4.0-5.3 HB3 GLU 99 - HA GLU 95 far 0 100 0 - 4.5-6.9 HB2 GLU 99 - HA GLU 95 far 0 100 0 - 4.7-7.0 HB3 LYS 94 - HA GLU 95 far 0 91 0 - 4.9-5.6 HB2 MET 21 - HA LYS 20 far 0 57 0 - 5.6-5.6 HB3 GLU 17 - HA GLU 16 far 0 24 0 - 5.6-5.8 HB2 GLU 16 - HA LYS 20 far 0 36 0 - 7.1-7.9 HB2 MET 21 - HA GLU 16 far 0 47 0 - 7.2-8.7 HB3 GLU 17 - HA LYS 20 far 0 30 0 - 7.9-8.7 HG12 ILE 93 - HA LYS 20 far 0 58 0 - 8.8-9.7 HG12 ILE 93 - HA GLU 95 far 0 100 0 - 9.0-9.6 HB2 MET 74 - HA GLU 69 far 0 30 0 - 9.3-10.5 HG12 ILE 93 - HA GLU 16 far 0 47 0 - 9.7-10.6 HB3 LEU 38 - HA GLU 69 far 0 23 0 - 9.7-11.8 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 2.5-4.6 4092=92, 4093/1.8=78...(8) Violated in 3 structures by 0.01 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 2.3-3.6 4.0=100 H ILE 93 - HB2 GLU 95 far 0 100 0 - 5.0-7.1 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 2.4-3.0 3.0=100 HB3 SER 97 - HB2 GLU 95 far 0 59 0 - 7.0-8.9 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 2 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 88 - HB2 GLU 95 far 0 95 0 - 9.5-12.9 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 2.3-2.8 2.9=100 HD3 ARG 81 - HB2 GLU 95 far 0 63 0 - 8.4-11.3 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 2.2-3.0 2.9=100 HD2 ARG 91 - HB2 GLU 95 far 0 59 0 - 4.9-8.0 Violated in 0 structures by 0.00 A. Peak 4291 from cnoeabs.peaks (8.21, 2.20, 29.51 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 96 + HB2 GLU 95 OK 100 100 100 100 2.9-4.0 7552=100, 4299/1.8=82...(8) H SER 97 - HB2 GLU 95 far 0 100 0 - 5.0-6.0 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 2.5-4.6 4093=100, 4284/1.8=86...(9) Violated in 0 structures by 0.00 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 2.2-3.6 4.0=100 H ILE 93 - HB3 GLU 95 far 0 100 0 - 5.1-7.1 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 2.3-3.0 3.0=100 HA GLU 16 + HB3 GLU 16 OK 59 59 100 100 2.4-2.9 3.0=100 HA LYS 20 + HB3 GLU 23 OK 20 45 85 53 3.0-3.5 6358/6366=25, 688=17...(4) HA GLU 17 - HB3 GLU 16 far 0 49 0 - 4.1-4.9 HA LYS 20 - HB3 GLU 16 far 0 50 0 - 5.8-8.7 HB3 SER 97 - HB3 GLU 95 far 0 59 0 - 7.0-8.9 HA GLU 16 - HB3 GLU 23 far 0 54 0 - 8.4-9.6 HA GLU 17 - HB3 GLU 23 far 0 44 0 - 8.6-9.2 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 - 3.6-7.2 HG2 GLU 98 - HB3 GLU 95 far 0 99 0 - 7.2-8.8 HG3 PRO 86 - HB3 GLU 16 far 0 71 0 - 8.4-10.5 HB3 GLU 16 - HB3 GLU 23 far 0 32 0 - 8.9-11.9 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 99 100 100 99 2.3-3.0 2.9=93, 4302/1.8=70...(9) HG2 GLU 23 + HB3 GLU 23 OK 66 67 100 99 2.2-2.3 2.9=95, 1024/1.8=40...(15) HG3 GLU 16 + HB3 GLU 16 OK 52 53 100 98 2.2-2.9 3.0=84, 1024/1.8=29...(17) HG2 GLU 17 - HB3 GLU 16 far 0 53 0 - 3.9-6.9 HG2 GLU 23 - HB3 GLU 16 far 0 73 0 - 7.7-10.7 HD3 ARG 81 - HB3 GLU 95 far 0 63 0 - 8.3-11.4 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 2.2-3.0 2.9=100 HG3 GLU 23 + HB3 GLU 23 OK 38 38 100 100 2.7-3.0 2.9=100 HD2 ARG 91 - HB3 GLU 95 far 0 59 0 - 5.9-8.1 HG3 GLU 23 - HB3 GLU 16 far 0 42 0 - 8.9-12.0 Violated in 0 structures by 0.00 A. Peak 4299 from cnoeabs.peaks (8.21, 2.16, 29.51 ppm; 4.36 A): 1 out of 4 assignments used, quality = 1.00: * H PHE 96 + HB3 GLU 95 OK 100 100 100 100 2.9-4.1 4.6=85, 7552/1.8=84...(8) H SER 97 - HB3 GLU 95 far 0 100 0 - 5.1-6.1 H LEU 27 - HB3 GLU 23 far 0 45 0 - 6.1-6.6 H GLU 104 - HB3 GLU 95 far 0 100 0 - 9.1-18.0 Violated in 0 structures by 0.00 A. Peak 4300 from cnoeabs.peaks (8.36, 2.27, 36.47 ppm; 3.81 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 95 + HG2 GLU 95 OK 100 100 100 100 2.4-3.8 7541=99, 4307/1.8=81...(15) H GLU 63 - HG2 GLU 62 far 4 76 5 - 4.1-5.0 H ILE 93 - HG2 GLU 95 far 0 100 0 - 4.1-7.5 H GLU 63 - HG3 GLU 62 far 0 76 0 - 4.7-5.0 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 5 assignments used, quality = 0.93: * HA GLU 95 + HG2 GLU 95 OK 90 100 90 100 2.1-3.8 3.0/4302=66, 4308/1.8=64...(10) HA LYS 20 + HG2 GLU 23 OK 36 62 100 58 2.4-3.5 6358/6367=26, 4278=21...(4) HA GLU 16 - HG2 GLU 23 far 0 72 0 - 6.8-8.1 HB3 SER 97 - HG2 GLU 95 far 0 59 0 - 7.1-10.2 HA GLU 17 - HG2 GLU 23 far 0 61 0 - 8.0-8.7 Violated in 0 structures by 0.00 A. Peak 4302 from cnoeabs.peaks (2.20, 2.27, 36.47 ppm; 2.70 A increased from 2.40 A): 1 out of 10 assignments used, quality = 0.95: * HB2 GLU 95 + HG2 GLU 95 OK 95 100 100 95 2.3-2.8 2.9=80, 1.8/4297=27...(10) HG2 GLU 99 - HG2 GLU 95 far 0 95 0 - 3.9-7.9 HG2 GLU 98 - HG2 GLU 95 far 0 99 0 - 6.5-9.2 HB2 GLU 63 - HG2 GLU 62 far 0 91 0 - 6.7-8.2 HG3 GLU 35 - HG2 GLU 62 far 0 91 0 - 7.2-10.9 HB2 GLU 63 - HG3 GLU 62 far 0 91 0 - 7.6-8.2 HB3 GLU 16 - HG2 GLU 23 far 0 45 0 - 7.7-10.7 HG3 GLU 35 - HG3 GLU 62 far 0 91 0 - 7.9-12.5 HG2 GLU 35 - HG2 GLU 62 far 0 91 0 - 8.0-11.9 HG2 GLU 35 - HG3 GLU 62 far 0 91 0 - 9.6-13.4 Violated in 2 structures by 0.00 A. Peak 4303 from cnoeabs.peaks (2.16, 2.27, 36.47 ppm; 2.61 A): 2 out of 16 assignments used, quality = 0.87: HB3 GLU 23 + HG2 GLU 23 OK 82 86 100 95 2.2-2.3 2.9=74, 1.8/1024=34...(13) * HB3 GLU 95 + HG2 GLU 95 OK 27 100 30 90 2.3-3.0 2.9=72, 7540/4300=22...(9) HB2 GLU 63 - HG2 GLU 62 far 0 50 0 - 6.7-8.2 HG2 GLU 69 - HG3 GLU 62 far 0 63 0 - 7.0-10.2 HG2 GLU 69 - HG2 GLU 62 far 0 63 0 - 7.2-9.6 HG3 GLU 35 - HG2 GLU 62 far 0 52 0 - 7.2-10.9 HB2 GLU 69 - HG3 GLU 62 far 0 63 0 - 7.6-10.0 HB2 GLU 69 - HG2 GLU 62 far 0 63 0 - 7.6-9.8 HB2 GLU 63 - HG3 GLU 62 far 0 50 0 - 7.6-8.2 HB3 GLU 16 - HG2 GLU 23 far 0 85 0 - 7.7-10.7 HG3 GLU 35 - HG3 GLU 62 far 0 52 0 - 7.9-12.5 HG2 GLU 35 - HG2 GLU 62 far 0 52 0 - 8.0-11.9 HB3 GLU 69 - HG3 GLU 62 far 0 63 0 - 8.7-11.2 HB3 GLU 69 - HG2 GLU 62 far 0 63 0 - 8.8-10.9 HG2 GLU 35 - HG3 GLU 62 far 0 52 0 - 9.6-13.4 HG2 GLU 88 - HG2 GLU 95 far 0 95 0 - 9.7-12.5 Violated in 0 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 7 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 HB2 ASP 61 - HG3 GLU 62 far 0 85 0 - 4.0-7.2 HB2 ASP 61 - HG2 GLU 62 far 0 85 0 - 5.1-7.0 HD2 ARG 91 - HG2 GLU 95 far 0 59 0 - 5.2-8.1 HG3 GLU 63 - HG2 GLU 62 far 0 90 0 - 5.3-7.0 HG3 GLU 63 - HG3 GLU 62 far 0 90 0 - 5.8-6.8 Violated in 0 structures by 0.00 A. Peak 4306 from cnoeabs.peaks (8.21, 2.27, 36.47 ppm; 5.44 A increased from 4.83 A): 2 out of 5 assignments used, quality = 1.00: * H PHE 96 + HG2 GLU 95 OK 100 100 100 100 2.5-5.2 7554=100, 7552/4302=93...(7) H SER 97 + HG2 GLU 95 OK 24 100 25 95 4.8-7.3 7567/4300=72...(5) H LEU 27 - HG2 GLU 23 far 0 62 0 - 6.6-7.3 H LYS 68 - HG2 GLU 62 far 0 73 0 - 8.4-10.6 H LYS 68 - HG3 GLU 62 far 0 73 0 - 8.6-10.7 Violated in 0 structures by 0.00 A. Peak 4307 from cnoeabs.peaks (8.36, 2.52, 36.47 ppm; 3.56 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 95 + HG3 GLU 95 OK 100 100 100 100 2.2-3.6 7542=96, 4300/1.8=66...(17) H ILE 93 - HG3 GLU 95 far 0 100 0 - 4.1-6.9 Violated in 3 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 2.5-3.8 4.1=74, 3.0/4307=60...(20) HB3 SER 97 - HG3 GLU 95 far 0 59 0 - 7.2-10.2 Violated in 3 structures by 0.01 A. Peak 4309 from cnoeabs.peaks (2.20, 2.52, 36.47 ppm; 3.13 A increased from 2.95 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 95 + HG3 GLU 95 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 GLU 99 - HG3 GLU 95 far 0 95 0 - 4.7-8.3 HG2 GLU 98 - HG3 GLU 95 far 0 99 0 - 6.9-9.4 Violated in 0 structures by 0.00 A. Peak 4310 from cnoeabs.peaks (2.16, 2.52, 36.47 ppm; 3.18 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 95 + HG3 GLU 95 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 GLU 88 - HG3 GLU 95 far 0 95 0 - 8.9-11.9 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 - 8.3-12.7 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; 5.40 A increased from 5.09 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 96 + HG3 GLU 95 OK 100 100 100 100 2.4-5.2 7555=100, 7543/4307=92...(8) H SER 97 + HG3 GLU 95 OK 24 100 25 96 4.8-7.6 7567/4307=74...(5) 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 2.8-2.9 3.0=100 H SER 97 + HA PHE 96 OK 100 100 100 100 3.4-3.6 3.6=100 H GLU 104 - HA PHE 96 far 0 100 0 - 7.8-14.7 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 - 5.3-7.6 HD2 ARG 79 - HA PHE 96 far 0 82 0 - 6.4-8.5 HB2 TRP 92 - HA PHE 96 far 0 100 0 - 7.4-7.9 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 2.3-3.0 3.7=78, 7559/3.0=39...(14) HZ3 TRP 92 - HA PHE 96 far 0 71 0 - 5.6-6.9 HZ PHE 96 - HA PHE 96 far 0 73 0 - 5.9-6.2 HE ARG 91 - HA PHE 96 far 0 67 0 - 8.3-11.4 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 3.4-3.6 3.6=100 H PHE 96 + HA PHE 96 OK 100 100 100 100 2.8-2.9 3.0=100 H GLU 104 - HA PHE 96 far 0 100 0 - 7.8-14.7 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 3.3-4.3 7599=100, 7612/10181=64...(8) 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 6 assignments used, quality = 0.94: * HB2 GLU 99 + HA PHE 96 OK 77 100 80 96 2.3-5.4 3.0/10181=63...(6) HB3 GLU 99 + HA PHE 96 OK 76 100 80 95 3.8-5.5 3.0/10181=63...(5) HB2 GLU 98 - HA PHE 96 far 0 100 0 - 5.2-6.0 HB3 GLU 98 - HA PHE 96 far 0 100 0 - 6.6-7.3 HG12 ILE 93 - HA PHE 96 far 0 100 0 - 7.5-8.4 HB3 LYS 94 - HA PHE 96 far 0 91 0 - 7.9-8.4 Violated in 2 structures by 0.05 A. Peak 4324 from cnoeabs.peaks (2.04, 4.51, 59.61 ppm; 4.29 A): 2 out of 6 assignments used, quality = 0.94: HB2 GLU 99 + HA PHE 96 OK 76 100 80 96 2.3-5.4 3.0/10181=63...(6) * HB3 GLU 99 + HA PHE 96 OK 76 100 80 95 3.8-5.5 3.0/10181=63...(5) HB2 GLU 98 - HA PHE 96 far 0 100 0 - 5.2-6.0 HB3 GLU 98 - HA PHE 96 far 0 100 0 - 6.6-7.3 HG12 ILE 93 - HA PHE 96 far 0 100 0 - 7.5-8.4 HB3 LYS 94 - HA PHE 96 far 0 96 0 - 7.9-8.4 Violated in 2 structures by 0.05 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 2.5-3.0 4127=100, 4128/1.8=79...(17) 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 2.3-2.7 7557=100, 7558/1.8=84...(12) H SER 97 + HB2 PHE 96 OK 100 100 100 100 2.3-3.1 7571=100, 7573/2.4=53...(10) H LEU 27 - HB2 PHE 96 far 0 79 0 - 8.1-9.5 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 4 assignments used, quality = 1.00: * QD PHE 96 + HB2 PHE 96 OK 100 100 100 100 2.3-2.4 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 - 6.9-8.2 HE ARG 91 - HB2 PHE 96 far 0 68 0 - 8.7-12.3 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 2.3-3.1 7571=100, 7573/2.4=53...(10) H PHE 96 + HB2 PHE 96 OK 100 100 100 100 2.3-2.7 7557=100, 7558/1.8=84...(12) H LEU 27 - HB2 PHE 96 far 0 85 0 - 8.1-9.5 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 3.0-4.1 4128=100, 4127/1.8=81...(14) 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 2.3-3.0 7558=100, 7557/1.8=82...(10) H SER 97 + HB3 PHE 96 OK 44 100 45 99 3.7-4.2 7571/1.8=74, 4.2=67...(9) H GLU 104 - HB3 PHE 96 far 0 100 0 - 9.2-16.5 H LEU 27 - HB3 PHE 96 far 0 79 0 - 9.8-11.2 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 - 5.1-7.8 HB2 TRP 92 - HB3 PHE 96 far 0 100 0 - 5.4-5.9 HD2 ARG 79 - HB3 PHE 96 far 0 82 0 - 6.2-8.6 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 2.4-2.6 2.4=100 HZ3 TRP 92 - HB3 PHE 96 far 0 71 0 - 5.4-6.5 HZ PHE 96 - HB3 PHE 96 far 0 73 0 - 5.8-5.8 HE ARG 91 - HB3 PHE 96 far 0 68 0 - 7.9-11.4 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 2.3-3.0 7558=100, 7557/1.8=82...(10) * H SER 97 + HB3 PHE 96 OK 45 100 45 99 3.7-4.2 7571/1.8=74, 4.2=67...(9) H GLU 104 - HB3 PHE 96 far 0 100 0 - 9.2-16.5 H LEU 27 - HB3 PHE 96 far 0 85 0 - 9.8-11.2 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 - 4.9-5.4 H LEU 27 - HA SER 97 far 0 85 0 - 7.0-7.8 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 2.3-2.7 3.0=100 HB3 SER 97 + HA SER 97 OK 68 68 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4346 from cnoeabs.peaks (3.98, 3.82, 60.49 ppm; 2.97 A): 2 out of 3 assignments used, quality = 1.00: * HB3 SER 97 + HA SER 97 OK 99 100 100 99 2.4-3.0 3.0=95, 4356/3.0=38...(14) HB2 SER 97 + HA SER 97 OK 67 68 100 99 2.3-2.7 3.0=95, 7578/3.0=23...(13) HA GLU 95 - HA SER 97 far 0 59 0 - 6.4-6.8 Violated in 0 structures by 0.00 A. Peak 4347 from cnoeabs.peaks (7.66, 3.82, 60.49 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 98 + HA SER 97 OK 100 100 100 100 3.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 4348 from cnoeabs.peaks (8.14, 3.82, 60.49 ppm; 6.50 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 100 + HA SER 97 OK 100 100 100 100 3.2-4.1 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; 4.27 A increased from 3.59 A): 1 out of 7 assignments used, quality = 0.97: * HA LYS 94 + HB2 SER 97 OK 97 100 100 97 3.4-4.1 4182=60, 7566/4350=56...(6) HA ALA 22 - HB2 SER 97 far 0 59 0 - 5.1-6.0 HA3 GLY 101 - HB2 SER 97 far 0 82 0 - 5.6-10.7 HA2 GLY 101 - HB2 SER 97 far 0 100 0 - 6.2-11.0 HA2 GLY 100 - HB2 SER 97 far 0 100 0 - 6.7-8.3 HA ARG 91 - HB2 SER 97 far 0 90 0 - 8.7-9.7 HB2 SER 102 - HB2 SER 97 far 0 81 0 - 9.3-15.7 Violated in 0 structures by 0.00 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 2.2-3.2 7577=72, 7578/1.8=41...(9) H PHE 96 - HB2 SER 97 far 0 100 0 - 4.5-5.4 H LEU 27 - HB2 SER 97 far 0 85 0 - 5.6-6.2 Violated in 0 structures by 0.00 A. Peak 4351 from cnoeabs.peaks (3.82, 3.95, 63.02 ppm; 3.07 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 97 + HB2 SER 97 OK 100 100 100 100 2.3-2.7 3.0=100 HA ALA 22 - HB2 SER 97 far 0 99 0 - 5.1-6.0 HB3 SER 102 - HB2 SER 97 far 0 100 0 - 8.5-14.7 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 3.6-4.3 4.5=100 H MET 21 - HB2 SER 97 far 0 79 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 4355 from cnoeabs.peaks (3.87, 3.98, 63.02 ppm; 4.49 A increased from 3.78 A): 1 out of 7 assignments used, quality = 0.98: * HA LYS 94 + HB3 SER 97 OK 98 100 100 98 3.2-4.3 7566/4356=63, 4183=60...(7) HA3 GLY 101 - HB3 SER 97 far 0 82 0 - 5.4-10.8 HA2 GLY 101 - HB3 SER 97 far 0 100 0 - 5.6-11.0 HA ALA 22 - HB3 SER 97 far 0 59 0 - 6.1-7.3 HA2 GLY 100 - HB3 SER 97 far 0 100 0 - 6.2-8.4 HA ARG 91 - HB3 SER 97 far 0 90 0 - 8.5-10.1 HB2 SER 102 - HB3 SER 97 far 0 81 0 - 9.5-15.5 Violated in 0 structures by 0.00 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 2.4-3.6 4.1=68, 7577/1.8=60...(11) H PHE 96 - HB3 SER 97 far 0 100 0 - 4.6-6.0 H LEU 27 - HB3 SER 97 far 0 85 0 - 5.7-7.6 Violated in 3 structures by 0.01 A. Peak 4357 from cnoeabs.peaks (3.82, 3.98, 63.02 ppm; 3.10 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 97 + HB3 SER 97 OK 100 100 100 100 2.4-3.0 3.0=100 HA ALA 22 - HB3 SER 97 far 0 99 0 - 6.1-7.3 HB3 SER 102 - HB3 SER 97 far 0 100 0 - 8.5-14.5 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 2.2-3.8 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: HB3 GLU 98 + HA GLU 98 OK 100 100 100 100 2.4-2.7 3.0=100 * HB2 GLU 98 + HA GLU 98 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 GLU 99 - HA GLU 98 far 0 100 0 - 5.5-6.6 HB3 GLU 99 - HA GLU 98 far 0 100 0 - 5.7-6.6 HB3 LYS 94 - HA GLU 98 far 0 90 0 - 7.5-9.2 Violated in 0 structures by 0.00 A. Peak 4364 from cnoeabs.peaks (2.04, 4.19, 57.07 ppm; 3.20 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLU 98 + HA GLU 98 OK 100 100 100 100 2.4-2.7 3.0=100 HB2 GLU 98 + HA GLU 98 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 GLU 99 - HA GLU 98 far 0 100 0 - 5.5-6.6 HB3 GLU 99 - HA GLU 98 far 0 100 0 - 5.7-6.6 HB3 LYS 94 - HA GLU 98 far 0 91 0 - 7.5-9.2 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 2.1-2.8 1.8/4366=68, 3.9=64...(11) HG2 GLU 99 - HA GLU 98 far 0 100 0 - 5.3-6.7 HB2 GLU 95 - HA GLU 98 far 0 99 0 - 7.2-8.8 HG2 MET 1 - HA GLU 98 far 0 95 0 - 9.5-11.4 Violated in 0 structures by 0.00 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 2.8-3.4 1.8/4365=75, 3.9=72...(21) HG3 GLU 99 - HA GLU 98 far 0 68 0 - 5.9-7.2 Violated in 0 structures by 0.00 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 3.5-3.6 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): 1 out of 10 assignments used, quality = 0.89: * HA GLU 95 + HB2 GLU 98 OK 89 100 100 89 2.4-3.6 4283=77, 7583/7591=32...(5) HA GLU 95 - HB3 GLU 98 far 5 100 5 - 4.0-5.3 HA GLU 95 - HB3 GLU 99 far 0 99 0 - 4.5-6.9 HB3 SER 97 - HB2 GLU 98 far 0 59 0 - 4.6-5.7 HA GLU 95 - HB2 GLU 99 far 0 100 0 - 4.7-7.0 HB2 SER 49 - HB2 GLN 50 far 0 23 0 - 4.8-7.7 HB3 SER 97 - HB3 GLU 98 far 0 59 0 - 5.5-6.6 HB3 SER 97 - HB2 GLU 99 far 0 59 0 - 6.2-9.3 HB2 SER 49 - HB3 GLU 48 far 0 35 0 - 6.3-7.3 HB3 SER 97 - HB3 GLU 99 far 0 56 0 - 7.8-8.9 Violated in 0 structures by 0.00 A. Peak 4369 from cnoeabs.peaks (7.66, 2.04, 29.32 ppm; 3.42 A): 2 out of 9 assignments used, quality = 1.00: * H GLU 98 + HB2 GLU 98 OK 100 100 100 100 2.2-2.7 7591=100, 7594/3.0=53...(9) H GLU 98 + HB3 GLU 98 OK 99 100 100 99 3.5-3.6 7591/1.8=82, 4.0=62...(8) HE22 GLN 50 - HB2 GLN 50 poor 14 26 55 - 2.1-4.4 HD22 ASN 51 - HB2 GLN 50 poor 14 28 80 61 2.2-5.5 ~9129=18, 5.7/6829=17...(9) H GLU 98 - HB2 GLU 99 far 0 100 0 - 4.2-6.6 H GLU 98 - HB3 GLU 99 far 0 99 0 - 4.7-6.4 HE22 GLN 50 - HB3 GLU 48 far 0 38 0 - 5.4-10.8 H LYS 40 - HB3 GLU 43 far 0 65 0 - 5.4-6.4 HD22 ASN 51 - HB3 GLU 48 far 0 41 0 - 6.7-8.3 Violated in 0 structures by 0.00 A. Peak 4370 from cnoeabs.peaks (4.19, 2.04, 29.32 ppm; 3.62 A): 2 out of 6 assignments used, quality = 1.00: HA GLU 98 + HB3 GLU 98 OK 100 100 100 100 2.4-2.7 3.0=100 * HA GLU 98 + HB2 GLU 98 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 98 - HB2 GLU 99 far 0 100 0 - 5.5-6.6 HA GLU 98 - HB3 GLU 99 far 0 99 0 - 5.7-6.6 HA MET 1 - HB2 GLN 50 far 0 28 0 - 6.5-9.1 HA MET 1 - HB3 GLU 48 far 0 41 0 - 7.8-9.2 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 17 assignments used, quality = 1.00: HG2 GLU 99 + HB2 GLU 99 OK 96 99 100 96 2.5-3.0 3.0=80, 4402/3.0=29...(15) HG2 GLU 99 + HB3 GLU 99 OK 94 98 100 96 2.5-3.0 3.0=80, 4402/3.0=29...(15) * HG2 GLU 98 + HB2 GLU 98 OK 94 100 100 94 2.8-3.0 3.0=77, 4365/3.0=35...(10) HG2 GLU 98 + HB3 GLU 98 OK 93 100 100 93 2.3-2.9 3.0=77, 4365/3.0=35...(10) HG2 GLU 43 + HB3 GLU 43 OK 55 60 100 92 2.2-3.0 3.0=77, 1554/6694=23...(13) HG2 GLU 99 - HB2 GLU 98 far 0 100 0 - 3.1-5.2 HG2 GLU 99 - HB3 GLU 98 far 0 100 0 - 4.0-6.0 HB2 GLU 95 - HB2 GLU 98 far 0 99 0 - 4.4-6.5 HB2 GLU 95 - HB2 GLU 99 far 0 98 0 - 4.7-8.6 HB2 GLU 95 - HB3 GLU 98 far 0 98 0 - 5.6-8.2 HB2 GLU 95 - HB3 GLU 99 far 0 96 0 - 5.7-8.2 HG2 GLU 98 - HB3 GLU 99 far 0 99 0 - 6.8-8.4 HG2 GLU 98 - HB2 GLU 99 far 0 100 0 - 6.9-8.3 HG2 MET 1 - HB2 GLN 50 far 0 38 0 - 7.7-10.2 HG2 MET 1 - HB3 GLU 48 far 0 54 0 - 8.1-9.5 HG2 MET 1 - HB3 GLU 99 far 0 92 0 - 8.2-11.7 HG2 MET 1 - HB2 GLU 99 far 0 94 0 - 8.6-11.0 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 2.2-2.6 3.0=100 HG3 GLU 98 + HB3 GLU 98 OK 100 100 100 100 2.8-3.0 3.0=100 HG3 GLU 99 + HB2 GLU 99 OK 67 67 100 100 2.3-2.9 3.0=100 HG3 GLU 99 + HB3 GLU 99 OK 64 64 100 100 2.2-3.0 3.0=100 HG3 GLU 99 - HB2 GLU 98 far 0 68 0 - 3.9-6.2 HG3 GLU 99 - HB3 GLU 98 far 0 67 0 - 4.8-7.2 HG3 GLU 98 - HB3 GLU 99 far 0 99 0 - 6.1-8.3 HG3 GLU 98 - HB2 GLU 99 far 0 100 0 - 6.2-8.0 HB3 TYR 4 - HB3 GLU 48 far 0 56 0 - 7.7-9.9 HB3 ASP 36 - HB3 GLU 43 far 0 51 0 - 9.4-11.5 HB2 ASP 36 - HB3 GLU 43 far 0 52 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 4375 from cnoeabs.peaks (7.79, 2.04, 29.32 ppm; 3.30 A): 4 out of 7 assignments used, quality = 1.00: H GLU 99 + HB3 GLU 99 OK 96 99 100 97 2.4-3.6 3.9=62, 7606/3.0=45...(9) H GLU 99 + HB2 GLU 99 OK 96 100 100 96 2.2-3.6 3.9=62, 7606/3.0=45...(10) * H GLU 99 + HB2 GLU 98 OK 84 100 100 84 2.3-3.0 7595/7591=51, 7604=50...(6) H GLU 99 + HB3 GLU 98 OK 36 100 45 81 2.6-3.9 7604/1.8=39, 4.6=37...(5) H TYR 41 - HB3 GLU 43 far 0 57 0 - 5.1-5.7 HE ARG 30 - HB3 GLU 43 far 0 80 0 - 8.5-12.7 H GLU 28 - HB3 GLU 48 far 0 62 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 4376 from cnoeabs.peaks (4.02, 2.04, 29.32 ppm; 3.71 A): 1 out of 10 assignments used, quality = 0.89: HA GLU 95 + HB2 GLU 98 OK 89 100 100 89 2.4-3.6 4283=77, 7583/7592=32...(5) ! HA GLU 95 - HB3 GLU 98 far 5 100 5 - 4.0-5.3 HA GLU 95 - HB3 GLU 99 far 0 99 0 - 4.5-6.9 HB3 SER 97 - HB2 GLU 98 far 0 59 0 - 4.6-5.7 HA GLU 95 - HB2 GLU 99 far 0 100 0 - 4.7-7.0 HB2 SER 49 - HB2 GLN 50 far 0 24 0 - 4.8-7.7 HB3 SER 97 - HB3 GLU 98 far 0 59 0 - 5.5-6.6 HB3 SER 97 - HB2 GLU 99 far 0 59 0 - 6.2-9.3 HB2 SER 49 - HB3 GLU 48 far 0 34 0 - 6.3-7.3 HB3 SER 97 - HB3 GLU 99 far 0 57 0 - 7.8-8.9 Violated in 0 structures by 0.00 A. Peak 4377 from cnoeabs.peaks (7.66, 2.04, 29.32 ppm; 3.42 A): 2 out of 9 assignments used, quality = 1.00: H GLU 98 + HB2 GLU 98 OK 100 100 100 100 2.2-2.7 7592=100, 7594/3.0=53...(9) * H GLU 98 + HB3 GLU 98 OK 99 100 100 99 3.5-3.6 7591/1.8=82, 4.0=62...(8) HE22 GLN 50 - HB2 GLN 50 poor 15 27 55 - 2.1-4.4 HD22 ASN 51 - HB2 GLN 50 poor 14 29 80 62 2.2-5.5 ~9129=18, 5.7/6829=17...(9) H GLU 98 - HB2 GLU 99 far 0 100 0 - 4.2-6.6 H GLU 98 - HB3 GLU 99 far 0 99 0 - 4.7-6.4 HE22 GLN 50 - HB3 GLU 48 far 0 38 0 - 5.4-10.8 H LYS 40 - HB3 GLU 43 far 0 63 0 - 5.4-6.4 HD22 ASN 51 - HB3 GLU 48 far 0 40 0 - 6.7-8.3 Violated in 0 structures by 0.00 A. Peak 4378 from cnoeabs.peaks (4.19, 2.04, 29.32 ppm; 3.62 A): 2 out of 6 assignments used, quality = 1.00: * HA GLU 98 + HB3 GLU 98 OK 100 100 100 100 2.4-2.7 3.0=100 HA GLU 98 + HB2 GLU 98 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 98 - HB2 GLU 99 far 0 100 0 - 5.5-6.6 HA GLU 98 - HB3 GLU 99 far 0 99 0 - 5.7-6.6 HA MET 1 - HB2 GLN 50 far 0 29 0 - 6.5-9.1 HA MET 1 - HB3 GLU 48 far 0 40 0 - 7.8-9.2 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 17 assignments used, quality = 1.00: HG2 GLU 99 + HB2 GLU 99 OK 96 99 100 96 2.5-3.0 3.0=80, 4402/3.0=29...(15) HG2 GLU 99 + HB3 GLU 99 OK 95 98 100 96 2.5-3.0 3.0=80, 4402/3.0=29...(15) HG2 GLU 98 + HB2 GLU 98 OK 94 100 100 94 2.8-3.0 3.0=77, 4365/3.0=35...(10) * HG2 GLU 98 + HB3 GLU 98 OK 93 100 100 93 2.3-2.9 3.0=77, 4365/3.0=35...(10) HG2 GLU 43 + HB3 GLU 43 OK 53 58 100 92 2.2-3.0 3.0=77, 1554/6694=23...(13) HG2 GLU 99 - HB2 GLU 98 far 0 100 0 - 3.1-5.2 HG2 GLU 99 - HB3 GLU 98 far 0 100 0 - 4.0-6.0 HB2 GLU 95 - HB2 GLU 98 far 0 98 0 - 4.4-6.5 HB2 GLU 95 - HB2 GLU 99 far 0 98 0 - 4.7-8.6 HB2 GLU 95 - HB3 GLU 98 far 0 99 0 - 5.6-8.2 HB2 GLU 95 - HB3 GLU 99 far 0 97 0 - 5.7-8.2 HG2 GLU 98 - HB3 GLU 99 far 0 99 0 - 6.8-8.4 HG2 GLU 98 - HB2 GLU 99 far 0 100 0 - 6.9-8.3 HG2 MET 1 - HB2 GLN 50 far 0 39 0 - 7.7-10.2 HG2 MET 1 - HB3 GLU 48 far 0 54 0 - 8.1-9.5 HG2 MET 1 - HB3 GLU 99 far 0 93 0 - 8.2-11.7 HG2 MET 1 - HB2 GLU 99 far 0 94 0 - 8.6-11.0 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 2.2-2.6 3.0=100 * HG3 GLU 98 + HB3 GLU 98 OK 100 100 100 100 2.8-3.0 3.0=100 HG3 GLU 99 + HB2 GLU 99 OK 67 67 100 100 2.3-2.9 3.0=100 HG3 GLU 99 + HB3 GLU 99 OK 65 65 100 100 2.2-3.0 3.0=100 HG3 GLU 99 - HB2 GLU 98 far 0 67 0 - 3.9-6.2 HG3 GLU 99 - HB3 GLU 98 far 0 68 0 - 4.8-7.2 HG3 GLU 98 - HB3 GLU 99 far 0 99 0 - 6.1-8.3 HG3 GLU 98 - HB2 GLU 99 far 0 100 0 - 6.2-8.0 HB3 TYR 4 - HB3 GLU 48 far 0 56 0 - 7.7-9.9 HB3 ASP 36 - HB3 GLU 43 far 0 49 0 - 9.4-11.5 HB2 ASP 36 - HB3 GLU 43 far 0 51 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 4383 from cnoeabs.peaks (7.79, 2.04, 29.32 ppm; 3.30 A): 4 out of 7 assignments used, quality = 1.00: H GLU 99 + HB3 GLU 99 OK 96 99 100 97 2.4-3.6 3.9=62, 7606/3.0=45...(9) H GLU 99 + HB2 GLU 99 OK 96 100 100 96 2.2-3.6 3.9=62, 7606/3.0=45...(10) H GLU 99 + HB2 GLU 98 OK 84 100 100 84 2.3-3.0 7595/7592=51, 7604=50...(6) * H GLU 99 + HB3 GLU 98 OK 36 100 45 81 2.6-3.9 7604/1.8=39, 4.6=37...(5) H TYR 41 - HB3 GLU 43 far 0 55 0 - 5.1-5.7 HE ARG 30 - HB3 GLU 43 far 0 78 0 - 8.5-12.7 H GLU 28 - HB3 GLU 48 far 0 61 0 - 9.5-11.5 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 2.8-3.7 7593=100, 7594/1.8=97...(8) H GLU 98 + HG2 GLU 99 OK 36 99 40 90 4.0-6.4 7595/7606=73...(4) H LYS 40 - HG2 GLU 43 far 5 33 15 - 4.4-6.0 H MET 21 - HG2 GLU 17 far 0 40 0 - 6.6-7.4 H SER 85 - HG2 GLU 17 far 0 36 0 - 8.8-10.5 Violated in 0 structures by 0.00 A. Peak 4385 from cnoeabs.peaks (4.19, 2.21, 36.00 ppm; 3.97 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 98 + HG2 GLU 98 OK 100 100 100 100 2.1-2.8 3.9=100 HA LYS 13 - HG2 GLU 17 poor 18 36 50 - 4.1-6.5 HA ASP 87 - HG2 GLU 17 far 0 32 0 - 5.1-7.4 HA GLU 98 - HG2 GLU 99 far 0 99 0 - 5.3-6.7 HB3 SER 85 - HG2 GLU 17 far 0 60 0 - 7.2-9.4 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 16 assignments used, quality = 1.00: HB2 GLU 99 + HG2 GLU 99 OK 97 99 100 97 2.5-3.0 3.0=84, 3.0/4402=30...(15) HB3 GLU 99 + HG2 GLU 99 OK 96 99 100 97 2.5-3.0 3.0=84, 3.0/4402=30...(15) * HB2 GLU 98 + HG2 GLU 98 OK 95 100 100 95 2.8-3.0 3.0=81, 3.0/4365=36...(11) HB3 GLU 98 + HG2 GLU 98 OK 94 100 100 94 2.3-2.9 3.0=81, 3.0/4365=36...(11) HB3 GLU 43 + HG2 GLU 43 OK 33 35 100 94 2.2-3.0 3.0=82, 1975/1.8=22...(14) HB3 GLU 17 + HG2 GLU 17 OK 28 30 100 94 2.4-2.9 3.0=82, 2.9/729=22...(10) HB2 GLU 98 - HG2 GLU 99 far 0 99 0 - 3.1-5.2 HB2 GLU 16 - HG2 GLU 17 far 0 38 0 - 3.4-5.7 HB3 GLU 98 - HG2 GLU 99 far 0 99 0 - 4.0-6.0 HB2 MET 74 - HG2 GLU 43 far 0 36 0 - 5.6-7.7 HB3 LYS 94 - HG2 GLU 98 far 0 90 0 - 6.0-8.3 HB2 MET 21 - HG2 GLU 17 far 0 59 0 - 6.7-7.9 HB3 GLU 99 - HG2 GLU 98 far 0 100 0 - 6.8-8.4 HB2 GLU 99 - HG2 GLU 98 far 0 100 0 - 6.9-8.3 HB3 LEU 38 - HG2 GLU 43 far 0 29 0 - 8.2-10.4 HB3 LYS 94 - HG2 GLU 99 far 0 88 0 - 8.7-11.3 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 16 assignments used, quality = 1.00: HB2 GLU 99 + HG2 GLU 99 OK 97 99 100 97 2.5-3.0 3.0=84, 3.0/4402=30...(15) HB3 GLU 99 + HG2 GLU 99 OK 96 99 100 97 2.5-3.0 3.0=84, 3.0/4402=30...(15) HB2 GLU 98 + HG2 GLU 98 OK 95 100 100 95 2.8-3.0 3.0=81, 3.0/4365=36...(11) * HB3 GLU 98 + HG2 GLU 98 OK 94 100 100 94 2.3-2.9 3.0=81, 3.0/4365=36...(11) HB3 GLU 43 + HG2 GLU 43 OK 32 34 100 94 2.2-3.0 3.0=82, 1975/1.8=22...(14) HB3 GLU 17 + HG2 GLU 17 OK 29 31 100 94 2.4-2.9 3.0=82, 2.9/729=22...(10) HB2 GLU 98 - HG2 GLU 99 far 0 99 0 - 3.1-5.2 HB2 GLU 16 - HG2 GLU 17 far 0 37 0 - 3.4-5.7 HB3 GLU 98 - HG2 GLU 99 far 0 99 0 - 4.0-6.0 HB2 MET 74 - HG2 GLU 43 far 0 35 0 - 5.6-7.7 HB3 LYS 94 - HG2 GLU 98 far 0 91 0 - 6.0-8.3 HB2 MET 21 - HG2 GLU 17 far 0 59 0 - 6.7-7.9 HB3 GLU 99 - HG2 GLU 98 far 0 100 0 - 6.8-8.4 HB2 GLU 99 - HG2 GLU 98 far 0 100 0 - 6.9-8.3 HB3 LEU 38 - HG2 GLU 43 far 0 28 0 - 8.2-10.4 HB3 LYS 94 - HG2 GLU 99 far 0 89 0 - 8.7-11.3 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 8 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 - 5.5-7.5 HB2 ASP 87 - HG2 GLU 17 far 0 46 0 - 6.3-9.3 HG3 GLU 99 - HG2 GLU 98 far 0 68 0 - 6.7-8.7 HB3 ASP 87 - HG2 GLU 17 far 0 46 0 - 7.4-9.8 HB3 ASP 36 - HG2 GLU 43 far 0 24 0 - 7.9-11.1 HB2 ASP 36 - HG2 GLU 43 far 0 25 0 - 8.9-11.3 Violated in 0 structures by 0.00 A. Peak 4390 from cnoeabs.peaks (7.79, 2.21, 36.00 ppm; 4.05 A): 1 out of 4 assignments used, quality = 0.99: H GLU 99 + HG2 GLU 99 OK 99 99 100 100 1.9-3.7 7606=100, 4428/1.8=79...(10) ! H GLU 99 - HG2 GLU 98 far 0 100 0 - 4.7-5.1 H TYR 41 - HG2 GLU 43 far 0 28 0 - 4.7-6.4 H LYS 20 - HG2 GLU 17 far 0 60 0 - 6.1-7.7 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 2.1-3.4 7594=100, 7593/1.8=89...(11) H MET 21 - HG3 GLU 23 far 0 51 0 - 5.7-6.9 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 2.8-3.4 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 9 assignments used, quality = 1.00: * HB2 GLU 98 + HG3 GLU 98 OK 100 100 100 100 2.2-2.6 3.0=100 HB3 GLU 98 + HG3 GLU 98 OK 100 100 100 100 2.8-3.0 3.0=100 HB3 LYS 94 - HG3 GLU 98 far 0 90 0 - 4.7-6.6 HB3 GLU 99 - HG3 GLU 98 far 0 100 0 - 6.1-8.3 HB2 GLU 99 - HG3 GLU 98 far 0 100 0 - 6.2-8.0 HB2 MET 21 - HG3 GLU 23 far 0 72 0 - 7.0-8.0 HG3 GLU 28 - HG3 GLU 23 far 0 63 0 - 7.3-9.7 HG2 GLU 28 - HG3 GLU 23 far 0 63 0 - 7.4-10.0 HG12 ILE 93 - HG3 GLU 23 far 0 72 0 - 8.5-9.3 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 9 assignments used, quality = 1.00: HB2 GLU 98 + HG3 GLU 98 OK 100 100 100 100 2.2-2.6 3.0=100 * HB3 GLU 98 + HG3 GLU 98 OK 100 100 100 100 2.8-3.0 3.0=100 HB3 LYS 94 - HG3 GLU 98 far 0 91 0 - 4.7-6.6 HB3 GLU 99 - HG3 GLU 98 far 0 100 0 - 6.1-8.3 HB2 GLU 99 - HG3 GLU 98 far 0 100 0 - 6.2-8.0 HB2 MET 21 - HG3 GLU 23 far 0 72 0 - 7.0-8.0 HG3 GLU 28 - HG3 GLU 23 far 0 62 0 - 7.3-9.7 HG2 GLU 28 - HG3 GLU 23 far 0 62 0 - 7.4-10.0 HG12 ILE 93 - HG3 GLU 23 far 0 72 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 4395 from cnoeabs.peaks (2.21, 2.47, 36.00 ppm; 2.75 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 98 + HG3 GLU 98 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 99 - HG3 GLU 98 far 0 100 0 - 5.5-7.5 HB2 GLU 95 - HG3 GLU 98 far 0 99 0 - 5.8-7.3 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 4.1-4.8 4.9=100 H LYS 20 + HG3 GLU 23 OK 21 73 30 94 5.3-6.4 3.6/12338=33...(17) H GLU 28 - HG3 GLU 23 far 0 73 0 - 7.5-8.4 HE ARG 30 - HG3 GLU 23 far 0 72 0 - 9.3-12.5 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): 2 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 2.4-2.7 3.0=100 HB3 GLU 98 - HA GLU 99 far 0 100 0 - 3.9-4.7 HB2 GLU 98 - HA GLU 99 far 0 100 0 - 4.1-4.8 Violated in 0 structures by 0.00 A. Peak 4401 from cnoeabs.peaks (2.04, 4.12, 57.30 ppm; 3.28 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLU 99 + HA GLU 99 OK 100 100 100 100 2.4-2.7 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 far 0 100 0 - 3.9-4.7 HB2 GLU 98 - HA GLU 99 far 0 100 0 - 4.1-4.8 HB3 MET 1 - HA GLU 99 far 0 68 0 - 9.5-11.6 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 2.2-3.7 4422=90, 7611/3.0=60...(19) HB2 GLU 95 - HA GLU 99 far 0 95 0 - 6.0-9.2 HG2 GLU 98 - HA GLU 99 far 0 100 0 - 6.2-6.6 HG2 MET 1 - HA GLU 99 far 0 88 0 - 9.5-11.1 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 2.9-3.9 4.1=100 HG3 GLU 98 - HA GLU 99 far 0 68 0 - 6.2-6.6 HG3 MET 1 - HA GLU 99 far 0 92 0 - 7.9-10.0 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 2 assignments used, quality = 1.00: * H GLY 100 + HA GLU 99 OK 100 100 100 100 3.5-3.6 3.6=100 H HIS 106 - HA GLU 99 far 0 96 0 - 8.4-17.7 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 = 0.98: * HA PHE 96 + HB2 GLU 99 OK 77 100 80 97 2.3-5.4 10181/3.0=61, 4323=49...(6) HA PHE 96 + HB3 GLU 99 OK 77 99 80 96 3.8-5.5 10181/3.0=61, 4323=48...(5) HA PHE 45 + HB3 GLU 48 OK 65 70 100 93 3.3-4.5 8997/9177=52...(6) HA PHE 96 - HB2 GLU 98 far 0 100 0 - 5.2-6.0 HA PHE 96 - HB3 GLU 98 far 0 100 0 - 6.6-7.3 HA PHE 45 - HB3 GLU 43 far 0 74 0 - 7.4-7.7 Violated in 0 structures by 0.00 A. Peak 4406 from cnoeabs.peaks (7.79, 2.04, 29.37 ppm; 3.30 A): 4 out of 7 assignments used, quality = 1.00: H GLU 99 + HB3 GLU 99 OK 97 99 100 97 2.4-3.6 3.9=62, 7606/3.0=45...(9) * H GLU 99 + HB2 GLU 99 OK 96 100 100 96 2.2-3.6 3.9=62, 7606/3.0=45...(10) H GLU 99 + HB2 GLU 98 OK 84 100 100 84 2.3-3.0 7595/7592=51, 7604=50...(6) H GLU 99 + HB3 GLU 98 OK 36 100 45 81 2.6-3.9 7604/1.8=39, 4.6=37...(5) H TYR 41 - HB3 GLU 43 far 0 53 0 - 5.1-5.7 HE ARG 30 - HB3 GLU 43 far 0 75 0 - 8.5-12.7 H GLU 28 - HB3 GLU 48 far 0 71 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 4407 from cnoeabs.peaks (4.12, 2.04, 29.37 ppm; 3.31 A): 2 out of 9 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 2.4-2.7 3.0=100 HA GLU 99 - HB3 GLU 98 far 0 100 0 - 3.9-4.7 HA GLU 99 - HB2 GLU 98 far 0 100 0 - 4.1-4.8 HA LYS 47 - HB3 GLU 48 far 0 60 0 - 5.5-5.9 HA MET 1 - HB3 GLU 48 far 0 42 0 - 7.8-9.2 HA LYS 47 - HB3 GLU 43 far 0 64 0 - 7.9-9.1 HA GLU 104 - HB3 GLU 99 far 0 99 0 - 8.2-15.6 HA GLU 104 - HB2 GLU 99 far 0 100 0 - 8.8-15.2 Violated in 0 structures by 0.00 A. Peak 4408 from cnoeabs.peaks (2.04, 2.04, 29.37 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB2 GLU 99 + HB2 GLU 99 OK 100 100 - 100 HB3 GLU 98 + HB3 GLU 98 OK 100 100 - 100 HB2 GLU 98 + HB2 GLU 98 OK 100 100 - 100 HB3 GLU 99 + HB3 GLU 99 OK 99 99 - 100 HB3 GLU 48 + HB3 GLU 48 OK 71 71 - 100 HB3 GLU 43 + HB3 GLU 43 OK 63 63 - 100 Peak 4409 from cnoeabs.peaks (2.04, 2.04, 29.37 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HB2 GLU 99 + HB2 GLU 99 OK 100 100 - 100 HB3 GLU 98 + HB3 GLU 98 OK 99 99 - 100 HB3 GLU 99 + HB3 GLU 99 OK 99 99 - 100 HB2 GLU 98 + HB2 GLU 98 OK 99 99 - 100 HB3 GLU 48 + HB3 GLU 48 OK 68 68 - 100 HB3 GLU 43 + HB3 GLU 43 OK 56 56 - 100 Reference assignment not found: HB3 GLU 99 - HB2 GLU 99 Peak 4410 from cnoeabs.peaks (2.22, 2.04, 29.37 ppm; 2.76 A): 5 out of 17 assignments used, quality = 1.00: * HG2 GLU 99 + HB2 GLU 99 OK 96 100 100 96 2.5-3.0 3.0=80, 4402/3.0=29...(15) HG2 GLU 99 + HB3 GLU 99 OK 96 99 100 96 2.5-3.0 3.0=80, 4402/3.0=29...(15) HG2 GLU 98 + HB2 GLU 98 OK 93 99 100 94 2.8-3.0 3.0=77, 4365/3.0=35...(10) HG2 GLU 98 + HB3 GLU 98 OK 92 99 100 92 2.3-2.9 3.0=77, 4365/3.0=35...(10) HG2 GLU 43 + HB3 GLU 43 OK 43 47 100 91 2.2-3.0 3.0=77, 1554/6694=20...(13) HG2 GLU 99 - HB2 GLU 98 far 0 100 0 - 3.1-5.2 HG2 GLU 99 - HB3 GLU 98 far 0 100 0 - 4.0-6.0 HB2 GLU 95 - HB2 GLU 98 far 0 94 0 - 4.4-6.5 HB2 GLU 95 - HB2 GLU 99 far 0 95 0 - 4.7-8.6 HB2 GLU 95 - HB3 GLU 98 far 0 94 0 - 5.6-8.2 HB2 GLU 95 - HB3 GLU 99 far 0 93 0 - 5.7-8.2 HG2 GLU 98 - HB3 GLU 99 far 0 99 0 - 6.8-8.4 HG2 GLU 98 - HB2 GLU 99 far 0 100 0 - 6.9-8.3 HG2 MET 1 - HB3 GLU 48 far 0 56 0 - 8.1-9.5 HG2 MET 1 - HB3 GLU 99 far 0 86 0 - 8.2-11.7 HG2 MET 1 - HB2 GLU 99 far 0 88 0 - 8.6-11.0 HG2 GLU 37 - HB3 GLU 43 far 0 41 0 - 9.9-12.1 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 15 assignments used, quality = 1.00: * HG3 GLU 99 + HB2 GLU 99 OK 100 100 100 100 2.3-2.9 3.0=100 HG3 GLU 99 + HB3 GLU 99 OK 99 99 100 100 2.2-3.0 3.0=100 HG3 GLU 48 + HB3 GLU 48 OK 69 69 100 100 2.3-3.0 3.0=100 HG3 GLU 98 + HB3 GLU 98 OK 67 67 100 100 2.8-3.0 3.0=100 HG3 GLU 98 + HB2 GLU 98 OK 67 67 100 100 2.2-2.6 3.0=100 HG3 GLU 99 - HB2 GLU 98 far 0 100 0 - 3.9-6.2 HG3 GLU 99 - HB3 GLU 98 far 0 100 0 - 4.8-7.2 HG2 GLN 50 - HB3 GLU 48 far 0 36 0 - 5.4-8.4 HG3 GLU 98 - HB3 GLU 99 far 0 66 0 - 6.1-8.3 HG3 GLU 98 - HB2 GLU 99 far 0 68 0 - 6.2-8.0 HG3 GLN 50 - HB3 GLU 48 far 0 70 0 - 6.3-8.8 HG3 MET 1 - HB3 GLU 99 far 0 90 0 - 6.9-10.4 HG3 MET 1 - HB2 GLU 99 far 0 92 0 - 7.3-9.9 HB3 TYR 4 - HB3 GLU 48 far 0 60 0 - 7.7-9.9 HG3 MET 1 - HB3 GLU 48 far 0 60 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 4412 from cnoeabs.peaks (8.14, 2.04, 29.37 ppm; 4.43 A): 2 out of 7 assignments used, quality = 1.00: * H GLY 100 + HB2 GLU 99 OK 99 100 100 99 2.5-4.1 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 poor 20 100 20 - 4.5-5.6 H GLY 100 - HB3 GLU 98 far 0 100 0 - 5.0-5.9 H HIS 106 - HB3 GLU 99 far 0 94 0 - 8.0-16.2 H TRP 92 - HB2 GLU 98 far 0 100 0 - 9.5-10.6 H HIS 106 - HB2 GLU 99 far 0 96 0 - 9.8-17.9 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 = 0.98: * HA PHE 96 + HB3 GLU 99 OK 77 100 80 96 3.8-5.5 10181/3.0=61, 4324=48...(5) HA PHE 96 + HB2 GLU 99 OK 77 99 80 97 2.3-5.4 10181/3.0=61, 4324=48...(6) HA PHE 45 + HB3 GLU 48 OK 61 65 100 93 3.3-4.5 8997/9177=52...(6) HA PHE 96 - HB2 GLU 98 far 0 99 0 - 5.2-6.0 HA PHE 96 - HB3 GLU 98 far 0 99 0 - 6.6-7.3 HA PHE 45 - HB3 GLU 43 far 0 60 0 - 7.4-7.7 HA LYS 33 - HB2 GLU 35 far 0 47 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 4414 from cnoeabs.peaks (7.79, 2.04, 29.37 ppm; 3.30 A): 4 out of 9 assignments used, quality = 1.00: * H GLU 99 + HB3 GLU 99 OK 97 100 100 97 2.4-3.6 3.9=62, 7606/3.0=45...(9) H GLU 99 + HB2 GLU 99 OK 95 99 100 96 2.2-3.6 3.9=62, 7606/3.0=45...(10) H GLU 99 + HB2 GLU 98 OK 83 99 100 84 2.3-3.0 7595/7592=51, 7609=49...(6) H GLU 99 + HB3 GLU 98 OK 36 99 45 81 2.6-3.9 7604/1.8=39, 4.6=37...(5) H TYR 41 - HB3 GLU 43 far 0 41 0 - 5.1-5.7 H LYS 66 - HB2 GLU 35 far 0 56 0 - 8.4-9.8 HE ARG 30 - HB3 GLU 43 far 0 61 0 - 8.5-12.7 H TYR 41 - HB2 GLU 35 far 0 38 0 - 9.4-9.9 H GLU 28 - HB3 GLU 48 far 0 66 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 4415 from cnoeabs.peaks (4.12, 2.04, 29.37 ppm; 3.31 A): 2 out of 9 assignments used, quality = 1.00: * HA GLU 99 + HB3 GLU 99 OK 100 100 100 100 2.4-2.7 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 far 0 99 0 - 3.9-4.7 HA GLU 99 - HB2 GLU 98 far 0 99 0 - 4.1-4.8 HA LYS 47 - HB3 GLU 48 far 0 56 0 - 5.5-5.9 HA MET 1 - HB3 GLU 48 far 0 39 0 - 7.8-9.2 HA LYS 47 - HB3 GLU 43 far 0 51 0 - 7.9-9.1 HA GLU 104 - HB3 GLU 99 far 0 100 0 - 8.2-15.6 HA GLU 104 - HB2 GLU 99 far 0 99 0 - 8.8-15.2 Violated in 0 structures by 0.00 A. Peak 4416 from cnoeabs.peaks (2.04, 2.04, 29.37 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: HB3 GLU 99 + HB3 GLU 99 OK 100 100 - 100 HB2 GLU 99 + HB2 GLU 99 OK 99 99 - 100 HB3 GLU 98 + HB3 GLU 98 OK 99 99 - 100 HB2 GLU 98 + HB2 GLU 98 OK 99 99 - 100 HB3 GLU 48 + HB3 GLU 48 OK 66 66 - 100 HB3 GLU 43 + HB3 GLU 43 OK 50 50 - 100 HB2 GLU 35 + HB2 GLU 35 OK 31 31 - 100 Reference assignment not found: HB2 GLU 99 - HB3 GLU 99 Peak 4417 from cnoeabs.peaks (2.04, 2.04, 29.37 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HB3 GLU 99 + HB3 GLU 99 OK 100 100 - 100 HB2 GLU 99 + HB2 GLU 99 OK 99 99 - 100 HB3 GLU 98 + HB3 GLU 98 OK 98 98 - 100 HB2 GLU 98 + HB2 GLU 98 OK 98 98 - 100 HB3 GLU 48 + HB3 GLU 48 OK 64 64 - 100 HB3 GLU 43 + HB3 GLU 43 OK 44 44 - 100 HB2 GLU 35 + HB2 GLU 35 OK 37 37 - 100 Peak 4418 from cnoeabs.peaks (2.22, 2.04, 29.37 ppm; 2.76 A): 7 out of 21 assignments used, quality = 1.00: * HG2 GLU 99 + HB3 GLU 99 OK 96 100 100 96 2.5-3.0 3.0=80, 4402/3.0=29...(15) HG2 GLU 99 + HB2 GLU 99 OK 96 99 100 96 2.5-3.0 3.0=80, 4402/3.0=29...(15) HG2 GLU 98 + HB2 GLU 98 OK 92 98 100 94 2.8-3.0 3.0=77, 4365/3.0=35...(10) HG2 GLU 98 + HB3 GLU 98 OK 91 98 100 92 2.3-2.9 3.0=77, 4365/3.0=35...(10) HG2 GLU 35 + HB2 GLU 35 OK 41 43 100 95 2.3-3.0 2.9=82, 1551/1.8=18...(18) HG3 GLU 35 + HB2 GLU 35 OK 40 43 100 95 2.5-3.0 2.9=82, 1551/1.8=18...(17) HG2 GLU 43 + HB3 GLU 43 OK 33 37 100 90 2.2-3.0 3.0=77, 1561/4.0=18...(13) HG2 GLU 99 - HB2 GLU 98 far 0 99 0 - 3.1-5.2 HG2 GLU 99 - HB3 GLU 98 far 0 99 0 - 4.0-6.0 HB2 GLU 95 - HB2 GLU 98 far 0 92 0 - 4.4-6.5 HB2 GLU 95 - HB2 GLU 99 far 0 93 0 - 4.7-8.6 HB2 GLU 95 - HB3 GLU 98 far 0 93 0 - 5.6-8.2 HB2 GLU 95 - HB3 GLU 99 far 0 95 0 - 5.7-8.2 HG2 GLU 37 - HB2 GLU 35 far 0 29 0 - 6.7-8.8 HG2 GLU 98 - HB3 GLU 99 far 0 100 0 - 6.8-8.4 HG2 GLU 98 - HB2 GLU 99 far 0 99 0 - 6.9-8.3 HG2 MET 1 - HB3 GLU 48 far 0 53 0 - 8.1-9.5 HG2 MET 1 - HB3 GLU 99 far 0 88 0 - 8.2-11.7 HG2 MET 1 - HB2 GLU 99 far 0 86 0 - 8.6-11.0 HB2 GLU 63 - HB2 GLU 35 far 0 44 0 - 9.1-10.4 HG2 GLU 37 - HB3 GLU 43 far 0 32 0 - 9.9-12.1 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 15 assignments used, quality = 1.00: * HG3 GLU 99 + HB3 GLU 99 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 99 + HB2 GLU 99 OK 99 99 100 100 2.3-2.9 3.0=100 HG3 GLU 98 + HB3 GLU 98 OK 65 65 100 100 2.8-3.0 3.0=100 HG3 GLU 98 + HB2 GLU 98 OK 64 64 100 100 2.2-2.6 3.0=100 HG3 GLU 48 + HB3 GLU 48 OK 64 64 100 100 2.3-3.0 3.0=100 HG3 GLU 99 - HB2 GLU 98 far 0 99 0 - 3.9-6.2 HG3 GLU 99 - HB3 GLU 98 far 0 99 0 - 4.8-7.2 HG2 GLN 50 - HB3 GLU 48 far 0 34 0 - 5.4-8.4 HG3 GLU 98 - HB3 GLU 99 far 0 68 0 - 6.1-8.3 HG3 GLU 98 - HB2 GLU 99 far 0 66 0 - 6.2-8.0 HG3 GLN 50 - HB3 GLU 48 far 0 65 0 - 6.3-8.8 HG3 MET 1 - HB3 GLU 99 far 0 92 0 - 6.9-10.4 HG3 MET 1 - HB2 GLU 99 far 0 90 0 - 7.3-9.9 HB3 TYR 4 - HB3 GLU 48 far 0 56 0 - 7.7-9.9 HG3 MET 1 - HB3 GLU 48 far 0 56 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 4420 from cnoeabs.peaks (8.14, 2.04, 29.37 ppm; 4.43 A): 2 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 2.5-4.1 4.7=87, 7619/3.9=60...(12) H GLY 100 - HB2 GLU 98 poor 20 99 20 - 4.5-5.6 H GLY 100 - HB3 GLU 98 far 0 99 0 - 5.0-5.9 H HIS 106 - HB3 GLU 99 far 0 96 0 - 8.0-16.2 H TRP 92 - HB2 GLU 98 far 0 99 0 - 9.5-10.6 H HIS 106 - HB2 GLU 99 far 0 94 0 - 9.8-17.9 Violated in 0 structures by 0.00 A. Peak 4421 from cnoeabs.peaks (7.79, 2.22, 36.00 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 99 + HG2 GLU 99 OK 100 100 100 100 1.9-3.7 7611=100, 4428/1.8=79...(10) H GLU 99 - HG2 GLU 98 far 0 99 0 - 4.7-5.1 H LYS 20 - HG2 GLU 17 far 0 76 0 - 6.1-7.7 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 2.2-3.7 4402=100, 3.0/7611=62...(19) HA LYS 13 - HG2 GLU 17 poor 5 50 45 22 4.1-6.5 6244/6257=13, 8391/8477=9 HA PRO 86 - HG2 GLU 17 far 2 47 5 - 4.2-5.9 HA GLU 99 - HG2 GLU 98 far 0 99 0 - 6.2-6.6 HA GLU 104 - HG2 GLU 99 far 0 100 0 - 8.1-16.3 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 13 assignments used, quality = 1.00: * HB2 GLU 99 + HG2 GLU 99 OK 97 100 100 97 2.5-3.0 3.0=84, 3.0/4402=30...(15) HB3 GLU 99 + HG2 GLU 99 OK 97 100 100 97 2.5-3.0 3.0=84, 3.0/4402=30...(15) HB2 GLU 98 + HG2 GLU 98 OK 95 99 100 95 2.8-3.0 3.0=81, 3.0/4365=36...(11) HB3 GLU 98 + HG2 GLU 98 OK 94 99 100 94 2.3-2.9 3.0=81, 3.0/4365=36...(11) HB3 GLU 17 + HG2 GLU 17 OK 39 41 100 94 2.4-2.9 3.0=82, 2.9/729=26...(10) HB2 GLU 98 - HG2 GLU 99 far 0 100 0 - 3.1-5.2 HB2 GLU 16 - HG2 GLU 17 far 0 48 0 - 3.4-5.7 HB3 GLU 98 - HG2 GLU 99 far 0 100 0 - 4.0-6.0 HB3 LYS 94 - HG2 GLU 98 far 0 89 0 - 6.0-8.3 HB2 MET 21 - HG2 GLU 17 far 0 74 0 - 6.7-7.9 HB3 GLU 99 - HG2 GLU 98 far 0 99 0 - 6.8-8.4 HB2 GLU 99 - HG2 GLU 98 far 0 99 0 - 6.9-8.3 HB3 LYS 94 - HG2 GLU 99 far 0 91 0 - 8.7-11.3 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 13 assignments used, quality = 1.00: * HB3 GLU 99 + HG2 GLU 99 OK 97 100 100 97 2.5-3.0 3.0=84, 3.0/4402=30...(15) HB2 GLU 99 + HG2 GLU 99 OK 97 100 100 97 2.5-3.0 3.0=84, 3.0/4402=30...(15) HB2 GLU 98 + HG2 GLU 98 OK 94 99 100 95 2.8-3.0 3.0=81, 3.0/4365=36...(11) HB3 GLU 98 + HG2 GLU 98 OK 93 99 100 94 2.3-2.9 3.0=81, 3.0/4365=36...(11) HB3 GLU 17 + HG2 GLU 17 OK 47 50 100 94 2.4-2.9 3.0=82, 2.9/729=26...(11) HB2 GLU 98 - HG2 GLU 99 far 0 100 0 - 3.1-5.2 HB2 GLU 16 - HG2 GLU 17 far 0 39 0 - 3.4-5.7 HB3 GLU 98 - HG2 GLU 99 far 0 100 0 - 4.0-6.0 HB3 LYS 94 - HG2 GLU 98 far 0 95 0 - 6.0-8.3 HB2 MET 21 - HG2 GLU 17 far 0 71 0 - 6.7-7.9 HB3 GLU 99 - HG2 GLU 98 far 0 99 0 - 6.8-8.4 HB2 GLU 99 - HG2 GLU 98 far 0 99 0 - 6.9-8.3 HB3 LYS 94 - HG2 GLU 99 far 0 96 0 - 8.7-11.3 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 9 assignments used, quality = 1.00: * HG3 GLU 99 + HG2 GLU 99 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 17 + HG2 GLU 17 OK 73 73 100 100 1.8-1.8 1.8=100 HG3 GLU 98 + HG2 GLU 98 OK 66 66 100 100 1.8-1.8 1.8=100 HG3 GLU 98 - HG2 GLU 99 far 0 68 0 - 5.5-7.5 HG3 MET 21 - HG2 GLU 17 far 0 39 0 - 6.6-8.4 HG3 GLU 99 - HG2 GLU 98 far 0 99 0 - 6.7-8.7 HB3 MET 21 - HG2 GLU 17 far 0 38 0 - 8.4-9.7 HG3 MET 1 - HG2 GLU 99 far 0 92 0 - 8.5-11.5 HB2 ASP 11 - HG2 GLU 17 far 0 75 0 - 8.6-10.6 Violated in 0 structures by 0.00 A. Peak 4427 from cnoeabs.peaks (8.14, 2.22, 36.00 ppm; 5.71 A): 1 out of 6 assignments used, quality = 1.00: * H GLY 100 + HG2 GLU 99 OK 100 100 100 100 1.9-5.0 4.7=100 H ASP 87 - HG2 GLU 17 poor 19 74 25 - 5.0-7.2 H GLY 100 - HG2 GLU 98 far 0 99 0 - 6.2-6.9 H HIS 106 - HG2 GLU 99 far 0 96 0 - 8.5-17.6 H TRP 92 - HG2 GLU 17 far 0 76 0 - 9.4-11.4 H TRP 92 - HG2 GLU 99 far 0 100 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 4428 from cnoeabs.peaks (7.79, 2.44, 36.00 ppm; 3.92 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 99 + HG3 GLU 99 OK 100 100 100 100 2.4-3.9 7612=100, 7606/1.8=81...(9) H LYS 20 - HG3 GLU 17 far 0 98 0 - 6.3-7.6 H GLU 28 - HG3 GLU 48 far 0 79 0 - 8.9-11.4 Violated in 0 structures by 0.00 A. Peak 4429 from cnoeabs.peaks (4.12, 2.44, 36.00 ppm; 3.89 A): 2 out of 6 assignments used, quality = 1.00: * HA GLU 99 + HG3 GLU 99 OK 100 100 100 100 2.9-3.9 4.1=86, 4402/1.8=77...(26) HA PRO 86 + HG3 GLU 17 OK 23 67 45 77 4.0-5.7 2.3/12333=26...(9) HA LYS 13 - HG3 GLU 17 far 7 71 10 - 4.0-6.6 HA LYS 47 - HG3 GLU 48 far 0 68 0 - 6.3-7.4 HA MET 1 - HG3 GLU 48 far 0 48 0 - 7.1-8.0 HA GLU 104 - HG3 GLU 99 far 0 100 0 - 9.2-17.3 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 13 assignments used, quality = 1.00: * HB2 GLU 99 + HG3 GLU 99 OK 99 100 100 99 2.3-2.9 3.0=91, 3.0/4429=25...(16) HB3 GLU 99 + HG3 GLU 99 OK 99 100 100 99 2.2-3.0 3.0=91, 3.0/4429=25...(17) HB3 GLU 48 + HG3 GLU 48 OK 78 79 100 99 2.3-3.0 3.0=88, 2247/1.8=39...(19) HB3 GLU 17 + HG3 GLU 17 OK 59 60 100 98 2.2-3.0 3.0=88, 748/1.8=35...(13) HB2 GLU 16 - HG3 GLU 17 far 0 69 0 - 3.7-5.4 HB2 GLU 98 - HG3 GLU 99 far 0 100 0 - 3.9-6.2 HB3 GLU 98 - HG3 GLU 99 far 0 100 0 - 4.8-7.2 HB2 MET 21 - HG3 GLU 17 far 0 97 0 - 6.3-7.7 HB2 GLN 50 - HG3 GLU 48 far 0 68 0 - 6.3-8.0 HG3 GLU 28 - HG3 GLU 48 far 0 68 0 - 8.2-12.5 HG2 GLU 28 - HG3 GLU 48 far 0 68 0 - 8.6-11.3 HB3 LYS 94 - HG3 GLU 99 far 0 91 0 - 9.3-11.2 HB3 GLU 88 - HG3 GLU 17 far 0 65 0 - 10.0-11.8 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 16 assignments used, quality = 1.00: * HB3 GLU 99 + HG3 GLU 99 OK 99 100 100 99 2.2-3.0 3.0=91, 3.0/4429=25...(17) HB2 GLU 99 + HG3 GLU 99 OK 99 100 100 99 2.3-2.9 3.0=91, 3.0/4429=25...(16) HB3 GLU 48 + HG3 GLU 48 OK 76 77 100 99 2.3-3.0 3.0=88, 2247/1.8=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 16 - HG3 GLU 17 far 0 58 0 - 3.7-5.4 HB2 GLU 98 - HG3 GLU 99 far 0 100 0 - 3.9-6.2 HB3 GLU 98 - HG3 GLU 99 far 0 100 0 - 4.8-7.2 HB2 MET 21 - HG3 GLU 17 far 0 94 0 - 6.3-7.7 HB2 GLN 50 - HG3 GLU 48 far 0 74 0 - 6.3-8.0 HB2 GLU 44 - HG3 GLU 48 far 0 44 0 - 7.9-9.9 HG3 GLU 28 - HG3 GLU 48 far 0 60 0 - 8.2-12.5 HB3 GLU 44 - HG3 GLU 48 far 0 44 0 - 8.3-10.3 HG2 GLU 28 - HG3 GLU 48 far 0 60 0 - 8.6-11.3 HB3 LYS 94 - HG3 GLU 99 far 0 96 0 - 9.3-11.2 HB3 MET 1 - HG3 GLU 48 far 0 47 0 - 9.6-10.4 HB3 MET 1 - HG3 GLU 99 far 0 68 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 4432 from cnoeabs.peaks (2.22, 2.44, 36.00 ppm; 2.40 A): 2 out of 7 assignments used, quality = 1.00: * HG2 GLU 99 + HG3 GLU 99 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 17 + HG3 GLU 17 OK 84 84 100 100 1.8-1.8 1.8=100 HG3 PRO 86 - HG3 GLU 17 far 0 80 0 - 3.0-5.6 HB2 GLU 95 - HG3 GLU 99 far 0 95 0 - 3.2-7.4 HG2 GLU 98 - HG3 GLU 99 far 0 100 0 - 6.7-8.7 HG2 MET 1 - HG3 GLU 48 far 0 64 0 - 8.3-9.0 HG2 MET 1 - HG3 GLU 99 far 0 88 0 - 8.4-12.8 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 2.2-5.1 4.7=100 H ASP 87 + HG3 GLU 17 OK 46 97 60 78 5.1-6.9 3.9/12333=32...(6) H HIS 106 - HG3 GLU 99 far 0 96 0 - 9.1-18.7 H TRP 92 - HG3 GLU 99 far 0 100 0 - 9.3-11.6 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 5 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 - HA3 GLY 101 far 2 47 5 - 4.3-5.6 H GLY 100 - HA2 GLY 101 far 0 82 0 - 4.7-5.7 H HIS 106 - HA2 GLY 101 far 0 75 0 - 7.4-14.3 H HIS 106 - HA3 GLY 101 far 0 42 0 - 8.0-13.0 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 - HA2 GLY 101 far 0 82 0 - 4.3-5.2 HA3 GLY 100 - HA3 GLY 101 far 0 47 0 - 4.3-4.9 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 2.6-3.6 3.6=100 H GLY 101 + HA2 GLY 101 OK 82 82 100 100 2.3-3.0 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 2.1-3.5 3.6=100 H SER 102 - HA2 GLY 100 far 0 65 0 - 4.1-7.0 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 HA2 GLY 101 - HA3 GLY 100 far 0 100 0 - 4.3-5.2 HA3 GLY 101 - HA3 GLY 100 far 0 82 0 - 4.3-4.9 HB2 SER 102 - HA3 GLY 100 far 0 81 0 - 6.2-9.8 HA LYS 94 - HA3 GLY 100 far 0 100 0 - 8.2-11.3 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 2.7-3.6 3.6=100 H SER 102 - HA3 GLY 100 far 7 65 10 - 4.3-7.0 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 2.3-3.0 3.0=100 H GLY 101 + HA2 GLY 100 OK 82 82 100 100 2.6-3.6 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 2.1-3.5 3.6=100 H SER 102 - HA2 GLY 100 far 0 47 0 - 4.1-7.0 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 2.1-3.5 3.6=100 H GLY 101 + HA2 GLY 101 OK 65 65 100 100 2.3-3.0 3.0=100 H GLY 101 + HA2 GLY 100 OK 47 47 100 100 2.6-3.6 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 0 82 0 - 4.1-7.0 Violated in 0 structures by 0.00 A. Peak 4447 from cnoeabs.peaks (8.02, 3.89, 45.04 ppm; 3.17 A): 4 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 2.3-3.0 3.0=100 H SER 102 + HA3 GLY 101 OK 47 65 95 76 2.1-3.5 3.6=71, 7638/1.8=12, 4.6/11029=7 H SER 102 + HA2 GLY 101 OK 24 36 90 76 2.1-3.6 3.6=71, 7640/1.8=15, 4.6/11029=4 H GLY 101 - HA2 GLY 100 poor 19 47 40 - 2.6-3.6 H SER 102 - HA2 GLY 100 far 0 25 0 - 4.1-7.0 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): 4 out of 6 assignments used, quality = 0.97: * H SER 102 + HA3 GLY 101 OK 78 100 95 82 2.1-3.5 3.6=75, 7638/1.8=23, 4.6/11029=7 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 49 65 90 83 2.1-3.6 3.6=75, 7640/1.8=28, 4.6/11029=4 H GLY 101 + HA2 GLY 101 OK 36 36 100 100 2.3-3.0 3.0=100 H GLY 101 - HA2 GLY 100 poor 20 25 80 - 2.6-3.6 H SER 102 - HA2 GLY 100 far 0 47 0 - 4.1-7.0 Violated in 0 structures by 0.00 A. Peak 4451 from cnoeabs.peaks (8.06, 4.38, 58.19 ppm; 4.37 A): 1 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 poor 13 65 20 - 4.3-5.8 Violated in 0 structures by 0.00 A. Peak 4452 from cnoeabs.peaks (4.38, 4.38, 58.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 102 + HA SER 102 OK 100 100 - 100 Peak 4453 from cnoeabs.peaks (3.89, 4.38, 58.19 ppm; 3.10 A): 1 out of 4 assignments used, quality = 1.00: * HB2 SER 102 + HA SER 102 OK 100 100 100 100 2.2-3.0 3.0=100 HA2 GLY 101 - HA SER 102 far 0 81 0 - 4.3-5.1 HA3 GLY 101 - HA SER 102 far 0 100 0 - 4.3-5.2 HA2 GLY 100 - HA SER 102 far 0 81 0 - 6.2-8.1 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 - 7.8-12.2 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 1 assignment used, quality = 1.00: * H LEU 103 + HA SER 102 OK 100 100 100 100 2.1-3.0 7645=100, 7644/3.0=33...(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 2.4-4.1 4.0=100 H GLY 101 - HB2 SER 102 far 10 65 15 - 4.5-7.3 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 2 assignments used, quality = 1.00: * HA SER 102 + HB2 SER 102 OK 100 100 100 100 2.2-3.0 3.0=100 HA HIS 106 - HB2 SER 102 far 0 82 0 - 7.1-12.7 Violated in 0 structures by 0.00 A. Peak 4458 from cnoeabs.peaks (3.89, 3.89, 63.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 102 + HB2 SER 102 OK 100 100 - 100 Peak 4459 from cnoeabs.peaks (3.81, 3.89, 63.54 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 102 + HB2 SER 102 OK 100 100 100 100 1.8-1.8 1.8=100 HA SER 97 - HB2 SER 102 far 0 100 0 - 7.9-13.3 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 2.0-4.6 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 2.1-3.8 4.0=100 H GLY 101 - HB3 SER 102 far 10 65 15 - 3.8-6.7 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 4 assignments used, quality = 1.00: * HA SER 102 + HB3 SER 102 OK 100 100 100 100 2.3-3.0 3.0=100 HA HIS 106 - HB3 SER 102 far 0 82 0 - 7.2-12.1 HA ASN 26 - HB3 SER 102 far 0 88 0 - 9.1-21.4 HA ALA 25 - HB3 SER 102 far 0 71 0 - 9.1-18.9 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 HA3 GLY 101 - HB3 SER 102 far 0 100 0 - 3.9-6.4 HA2 GLY 101 - HB3 SER 102 far 0 81 0 - 4.4-6.4 HA2 GLY 100 - HB3 SER 102 far 0 81 0 - 4.6-9.4 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 1 assignment used, quality = 1.00: * H LEU 103 + HB3 SER 102 OK 100 100 100 100 3.3-4.6 4.5=100 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 2.3-3.0 3.0=100 HG LEU 103 + HA LEU 103 OK 45 100 45 100 2.2-3.7 3.7=71, 2.1/4499=65...(19) HD3 LYS 53 - HA LEU 103 far 0 71 0 - 5.9-12.7 HB2 ARG 79 - HA LEU 103 far 0 96 0 - 8.5-17.6 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 2.5-3.0 3.0=100 HD3 LYS 53 - HA LEU 103 far 0 79 0 - 5.9-12.7 HG2 ARG 79 - HA LEU 103 far 0 99 0 - 6.6-17.8 HG3 ARG 79 - HA LEU 103 far 0 98 0 - 7.6-19.0 Violated in 0 structures by 0.00 A. Peak 4470 from cnoeabs.peaks (1.58, 4.30, 55.01 ppm; 3.14 A): 2 out of 4 assignments used, quality = 1.00: HB2 LEU 103 + HA LEU 103 OK 100 100 100 100 2.3-3.0 3.0=100 * HG LEU 103 + HA LEU 103 OK 45 100 45 99 2.2-3.7 3.7=62, 2.1/4499=60...(19) HD3 LYS 53 - HA LEU 103 far 0 77 0 - 5.9-12.7 HB2 ARG 79 - HA LEU 103 far 0 94 0 - 8.5-17.6 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 2 assignments used, quality = 1.00: * QD2 LEU 103 + HA LEU 103 OK 100 100 100 100 2.0-3.3 4499=92, 4501/3.0=33...(20) QD1 LEU 103 + HA LEU 103 OK 24 61 40 99 2.0-4.1 2.1/4499=62, 3.9=53...(20) Violated in 2 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 = 0.81: QD2 LEU 103 + HA LEU 103 OK 61 61 100 99 2.0-3.3 3.9=74, 4.9/4473=31...(20) * QD1 LEU 103 + HA LEU 103 OK 50 100 50 100 2.0-4.1 2.1/4499=75, 3.9=74...(20) QD1 LEU 2 - HA LEU 103 far 0 94 0 - 8.5-16.2 QG2 ILE 76 - HA LEU 103 far 0 93 0 - 9.6-16.8 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 2.7-3.5 3.6=95, 7548/3.0=65...(6) H PHE 96 - HA LEU 103 far 0 100 0 - 9.2-16.6 Violated in 1 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 2.1-4.0 4.0=95, 7650/1.8=83...(13) Violated in 1 structures by 0.00 A. Peak 4475 from cnoeabs.peaks (4.30, 1.58, 42.02 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 103 + HB2 LEU 103 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4476 from cnoeabs.peaks (1.58, 1.58, 42.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 103 + HB2 LEU 103 OK 100 100 - 100 Peak 4477 from cnoeabs.peaks (1.52, 1.58, 42.02 ppm; 2.40 A): 1 out of 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 - 4.8-19.7 HG3 ARG 79 - HB2 LEU 103 far 0 98 0 - 5.6-20.9 HD3 LYS 53 - HB2 LEU 103 far 0 79 0 - 6.7-14.2 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 4 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 2.0-3.2 3.1=100 QD2 LEU 57 - HB2 LEU 103 far 0 75 0 - 8.7-19.8 QD1 LEU 57 - HB2 LEU 103 far 0 100 0 - 9.6-21.3 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 4 assignments used, quality = 1.00: * QD1 LEU 103 + HB2 LEU 103 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 103 + HB2 LEU 103 OK 61 61 100 100 2.1-3.2 3.1=100 QD1 LEU 2 - HB2 LEU 103 far 0 94 0 - 9.0-16.3 QD1 LEU 57 - HB2 LEU 103 far 0 63 0 - 9.6-21.3 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 3.0-4.5 4.3=100 H PHE 96 - HB2 LEU 103 far 0 100 0 - 8.3-18.4 H SER 97 - HB2 LEU 103 far 0 100 0 - 10.0-18.3 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 2.3-3.9 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 2.5-3.0 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 85 100 95 89 2.4-3.0 4493=54, 2.1/4501=25...(15) HB2 ARG 79 - HB3 LEU 103 far 0 96 0 - 5.7-18.8 HD3 LYS 53 - HB3 LEU 103 far 0 71 0 - 6.3-13.7 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 85 100 95 89 2.4-3.0 4493=54, 2.1/4501=25...(15) HB2 ARG 79 - HB3 LEU 103 far 0 94 0 - 5.7-18.8 HD3 LYS 53 - HB3 LEU 103 far 0 77 0 - 6.3-13.7 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 4 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 QD2 LEU 57 - HB3 LEU 103 far 0 75 0 - 8.2-19.3 QD1 LEU 57 - HB3 LEU 103 far 0 100 0 - 9.4-20.9 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 4 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 2 - HB3 LEU 103 far 0 94 0 - 9.1-15.6 QD1 LEU 57 - HB3 LEU 103 far 0 63 0 - 9.4-20.9 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 3 assignments used, quality = 1.00: * H GLU 104 + HB3 LEU 103 OK 100 100 100 100 2.9-4.2 4.3=100 H PHE 96 - HB3 LEU 103 far 0 100 0 - 7.5-18.1 H SER 97 - HB3 LEU 103 far 0 100 0 - 8.9-17.6 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 2.0-4.6 7650/4493=81...(12) Violated in 0 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 2.2-3.7 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 5 assignments used, quality = 1.00: * HB3 LEU 103 + HG LEU 103 OK 100 100 100 100 2.4-3.0 3.0=97, 4501/2.1=38...(18) HG2 ARG 79 - HG LEU 103 far 0 99 0 - 5.5-17.3 HG3 ARG 79 - HG LEU 103 far 0 98 0 - 6.9-18.3 HD3 LYS 53 - HG LEU 103 far 0 79 0 - 7.0-13.0 HG LEU 2 - HG LEU 103 far 0 99 0 - 9.0-20.0 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 4 assignments used, quality = 1.00: * QD2 LEU 103 + HG LEU 103 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 103 + HG LEU 103 OK 61 61 100 100 2.1-2.1 2.1=100 QD2 LEU 57 - HG LEU 103 far 0 75 0 - 9.1-19.6 QD2 LEU 2 - HG LEU 103 far 0 94 0 - 9.5-18.3 Violated in 0 structures by 0.00 A. Peak 4496 from cnoeabs.peaks (0.86, 1.58, 27.00 ppm; 3.79 A): 2 out of 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 2 - HG LEU 103 far 0 94 0 - 8.1-16.1 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 2.0-5.9 7659/4493=100...(5) H PHE 96 - HG LEU 103 far 5 100 5 - 6.5-18.6 H SER 97 - HG LEU 103 far 0 100 0 - 7.7-17.6 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 2.2-4.7 4.7=100 H PHE 45 - QD2 LEU 2 far 0 41 0 - 7.4-9.9 H LYS 94 - QD2 LEU 103 far 0 88 0 - 8.8-18.2 H LEU 103 - QD2 LEU 2 far 0 57 0 - 8.9-16.1 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 = 1.00: * HA LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.0-3.3 4471=80, 3.0/4501=35...(21) HA GLU 28 - QD2 LEU 2 far 0 55 0 - 8.8-9.4 Violated in 3 structures by 0.01 A. Peak 4500 from cnoeabs.peaks (1.58, 0.83, 23.17 ppm; 3.17 A): 2 out of 12 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 LEU 3 - QD2 LEU 2 far 0 35 0 - 6.0-7.0 HD3 LYS 53 - QD2 LEU 103 far 0 71 0 - 6.3-10.2 HB3 GLU 28 - QD2 LEU 2 far 0 46 0 - 6.5-7.2 HG3 LYS 47 - QD2 LEU 2 far 0 30 0 - 6.9-10.4 HB2 ARG 79 - QD2 LEU 103 far 0 96 0 - 7.6-14.7 HD3 LYS 53 - QD2 LEU 2 far 0 34 0 - 8.4-9.7 HG LEU 27 - QD2 LEU 2 far 0 53 0 - 8.9-10.8 HG LEU 103 - QD2 LEU 2 far 0 57 0 - 9.5-18.3 HB2 LEU 3 - QD2 LEU 103 far 0 73 0 - 9.6-13.5 HD3 LYS 94 - QD2 LEU 103 far 0 98 0 - 9.9-20.4 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 11 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...(18) HG LEU 2 + QD2 LEU 2 OK 56 56 100 100 2.1-2.1 2.1=100 HG2 ARG 79 - QD2 LEU 103 far 0 99 0 - 5.8-14.8 HB2 LEU 3 - QD2 LEU 2 far 0 37 0 - 6.0-7.0 HD3 LYS 53 - QD2 LEU 103 far 0 79 0 - 6.3-10.2 HG3 ARG 79 - QD2 LEU 103 far 0 98 0 - 6.6-15.7 HG2 LYS 47 - QD2 LEU 2 far 0 35 0 - 7.1-9.9 HD3 LYS 53 - QD2 LEU 2 far 0 39 0 - 8.4-9.7 HG LEU 2 - QD2 LEU 103 far 0 99 0 - 9.0-15.6 HB2 ARG 91 - QD2 LEU 103 far 0 63 0 - 9.6-21.0 HB2 LEU 3 - QD2 LEU 103 far 0 77 0 - 9.6-13.5 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 11 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...(18) HB2 LEU 3 - QD2 LEU 2 far 0 39 0 - 6.0-7.0 HD3 LYS 53 - QD2 LEU 103 far 0 77 0 - 6.3-10.2 HB3 GLU 28 - QD2 LEU 2 far 0 49 0 - 6.5-7.2 HB2 ARG 79 - QD2 LEU 103 far 0 94 0 - 7.6-14.7 HD3 LYS 53 - QD2 LEU 2 far 0 37 0 - 8.4-9.7 HG LEU 27 - QD2 LEU 2 far 0 51 0 - 8.9-10.8 HG LEU 103 - QD2 LEU 2 far 0 57 0 - 9.5-18.3 HB2 LEU 3 - QD2 LEU 103 far 0 79 0 - 9.6-13.5 HD3 LYS 94 - QD2 LEU 103 far 0 96 0 - 9.9-20.4 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 3.5-5.0 4.9=100 H PHE 96 - QD2 LEU 103 far 0 100 0 - 6.2-14.9 H SER 97 - QD2 LEU 103 far 0 100 0 - 7.6-14.8 H LEU 27 - QD2 LEU 2 far 0 43 0 - 9.3-11.0 H GLU 104 - QD2 LEU 2 far 0 57 0 - 9.6-16.9 Violated in 0 structures by 0.00 A. Peak 4506 from cnoeabs.peaks (8.29, 0.86, 25.07 ppm; 4.77 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 103 + QD1 LEU 103 OK 100 100 100 100 2.3-4.4 4.7=100 H LYS 94 - QD1 LEU 103 far 0 88 0 - 7.1-19.3 H PHE 45 - QD1 LEU 2 far 0 46 0 - 7.1-8.7 H LEU 103 - QD1 LEU 2 far 0 65 0 - 7.8-14.3 H ALA 71 - QD2 LEU 64 far 0 42 0 - 9.3-9.9 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 4 assignments used, quality = 1.00: * HA LEU 103 + QD1 LEU 103 OK 100 100 100 100 2.0-4.1 3.9=100 HA ASP 65 + QD2 LEU 64 OK 56 56 100 100 3.8-4.2 9503=90, 9501/2.1=69...(24) HA LEU 103 - QD1 LEU 2 far 0 65 0 - 8.5-16.2 HA GLU 28 - QD1 LEU 2 far 0 63 0 - 8.9-10.9 Violated in 0 structures by 0.00 A. Peak 4508 from cnoeabs.peaks (1.58, 0.86, 25.07 ppm; 3.05 A): 2 out of 16 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 2.0-3.2 3.1=93, ~4493=36...(18) HD3 LYS 82 - QD2 LEU 64 far 0 51 0 - 4.2-5.1 HB2 ARG 79 - QD1 LEU 103 far 0 96 0 - 5.3-15.7 HD3 LYS 53 - QD1 LEU 103 far 0 71 0 - 5.7-11.1 HB3 GLU 28 - QD1 LEU 2 far 0 52 0 - 6.4-8.6 HB2 LEU 3 - QD1 LEU 2 far 0 40 0 - 6.7-7.1 HD3 LYS 53 - QD1 LEU 2 far 0 39 0 - 7.5-8.9 HG3 LYS 47 - QD1 LEU 2 far 0 34 0 - 7.5-8.8 HG LEU 103 - QD1 LEU 2 far 0 65 0 - 8.1-16.1 HD2 LYS 66 - QD2 LEU 64 far 0 53 0 - 8.7-10.0 HB2 LEU 3 - QD1 LEU 103 far 0 73 0 - 9.0-14.6 HB2 LEU 103 - QD1 LEU 2 far 0 65 0 - 9.0-16.3 HD3 LYS 94 - QD1 LEU 103 far 0 98 0 - 9.2-20.7 HD2 LYS 94 - QD1 LEU 103 far 0 59 0 - 9.6-21.1 HB2 ARG 79 - QD2 LEU 64 far 0 54 0 - 9.7-10.2 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 20 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 2.6-2.8 3.1=99, 3.9/7039=27...(16) HG2 ARG 79 - QD1 LEU 103 far 5 99 5 - 3.4-16.1 HG3 ARG 79 - QD1 LEU 103 far 0 98 0 - 4.5-16.9 HD3 LYS 53 - QD1 LEU 103 far 0 79 0 - 5.7-11.1 HG2 LYS 47 - QD1 LEU 2 far 0 40 0 - 6.7-8.6 HB2 LEU 3 - QD1 LEU 2 far 0 43 0 - 6.7-7.1 HG2 LYS 66 - QD2 LEU 64 far 0 37 0 - 7.2-7.9 HD3 LYS 53 - QD1 LEU 2 far 0 44 0 - 7.5-8.9 HG3 ARG 79 - QD2 LEU 64 far 0 56 0 - 7.9-9.2 HG LEU 2 - QD1 LEU 103 far 0 99 0 - 8.1-16.3 HG LEU 57 - QD1 LEU 103 far 0 90 0 - 8.2-21.0 HG3 LYS 66 - QD2 LEU 64 far 0 39 0 - 8.4-9.0 HB2 ARG 91 - QD1 LEU 103 far 0 63 0 - 8.7-22.4 HG12 ILE 56 - QD2 LEU 64 far 0 58 0 - 8.9-9.5 HG2 ARG 79 - QD2 LEU 64 far 0 57 0 - 8.9-9.9 HB2 LEU 3 - QD1 LEU 103 far 0 77 0 - 9.0-14.6 HB3 LEU 103 - QD1 LEU 2 far 0 65 0 - 9.1-15.6 HG LEU 57 - QD2 LEU 64 far 0 48 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 4510 from cnoeabs.peaks (1.58, 0.86, 25.07 ppm; 2.98 A): 2 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 99 100 100 99 2.0-3.2 3.1=87, ~4493=34...(18) HD3 LYS 82 - QD2 LEU 64 far 0 53 0 - 4.2-5.1 HB2 ARG 79 - QD1 LEU 103 far 0 94 0 - 5.3-15.7 HD3 LYS 53 - QD1 LEU 103 far 0 77 0 - 5.7-11.1 HB3 GLU 28 - QD1 LEU 2 far 0 55 0 - 6.4-8.6 HB2 LEU 3 - QD1 LEU 2 far 0 44 0 - 6.7-7.1 HD3 LYS 53 - QD1 LEU 2 far 0 43 0 - 7.5-8.9 HG LEU 103 - QD1 LEU 2 far 0 65 0 - 8.1-16.1 HD2 LYS 66 - QD2 LEU 64 far 0 51 0 - 8.7-10.0 HB2 LEU 3 - QD1 LEU 103 far 0 79 0 - 9.0-14.6 HB2 LEU 103 - QD1 LEU 2 far 0 65 0 - 9.0-16.3 HD3 LYS 94 - QD1 LEU 103 far 0 96 0 - 9.2-20.7 HB2 ARG 79 - QD2 LEU 64 far 0 52 0 - 9.7-10.2 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 5 assignments used, quality = 1.00: * H GLU 104 + QD1 LEU 103 OK 100 100 100 100 3.3-5.6 4.9=100 H LYS 68 + QD2 LEU 64 OK 39 39 100 100 5.3-5.8 10773/7052=74...(12) H PHE 96 - QD1 LEU 103 far 5 100 5 - 4.2-16.3 H SER 97 - QD1 LEU 103 far 5 100 5 - 5.8-15.5 H GLU 104 - QD1 LEU 2 far 0 65 0 - 9.1-14.8 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 2.3-2.9 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 2.3-3.0 3.0=100 HB2 LYS 53 - HA GLU 104 far 0 73 0 - 9.5-16.8 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 2.4-3.0 3.0=100 HB2 LYS 53 - HA GLU 104 far 0 79 0 - 9.5-16.8 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 1 assignment used, quality = 0.99: * HG2 GLU 104 + HA GLU 104 OK 99 100 100 99 2.3-3.9 4536=88, 4535/3.0=52...(10) 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 2.2-3.9 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 2.2-3.1 7664=100, 7665/1.8=79...(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 5 assignments used, quality = 1.00: * HA GLU 104 + HB2 GLU 104 OK 100 100 100 100 2.3-3.0 3.0=100 HA PRO 86 - HB2 GLU 88 far 0 53 0 - 4.8-5.2 HA GLU 99 - HB2 GLU 104 far 0 100 0 - 5.5-15.5 HB2 SER 59 - HB2 GLU 88 far 0 60 0 - 8.2-10.1 HA MET 1 - HB2 GLU 104 far 0 75 0 - 8.5-18.0 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 HB2 LYS 53 - HB2 GLU 104 far 0 79 0 - 6.5-16.0 HB3 LYS 90 - HB2 GLU 88 far 0 53 0 - 8.2-8.4 HB3 LEU 14 - HB2 GLU 88 far 0 60 0 - 8.5-9.0 HB2 LYS 68 - HB2 GLU 104 far 0 73 0 - 9.8-28.4 HB3 LYS 68 - HB2 GLU 104 far 0 100 0 - 10.0-28.4 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 5 assignments used, quality = 1.00: * HG2 GLU 104 + HB2 GLU 104 OK 100 100 100 100 2.4-3.0 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 2.0-2.5 2.1/9813=53, 9822=32...(24) HB2 PRO 86 - HB2 GLU 88 far 0 67 0 - 6.8-7.2 HB3 GLU 95 - HB2 GLU 88 far 0 87 0 - 9.6-11.7 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 2.0-2.5 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 - 6.7-7.1 HB2 PRO 86 - HB2 GLU 88 far 0 76 0 - 6.8-7.2 QE MET 21 - HB2 GLU 88 far 0 90 0 - 9.5-10.2 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 2.3-3.9 7665=100, 7664/1.8=90...(7) H LEU 27 - HB2 ARG 19 far 0 43 0 - 8.9-9.7 Violated in 1 structures by 0.00 A. Peak 4529 from cnoeabs.peaks (4.13, 1.87, 29.84 ppm; 3.67 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 104 + HB3 GLU 104 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 23 - HB2 ARG 19 far 0 48 0 - 6.5-7.6 HA GLU 99 - HB3 GLU 104 far 0 100 0 - 6.5-16.2 HA LYS 13 - HB2 ARG 19 far 0 40 0 - 9.4-10.3 HA LYS 24 - HB2 ARG 19 far 0 43 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 4530 from cnoeabs.peaks (1.81, 1.87, 29.84 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 104 + HB3 GLU 104 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 53 - HB3 GLU 104 far 0 73 0 - 7.7-17.2 HB ILE 93 - HB2 ARG 19 far 0 57 0 - 9.5-10.2 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 3 assignments used, quality = 1.00: * HG2 GLU 104 + HB3 GLU 104 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 16 - HB2 ARG 19 far 0 50 0 - 5.4-7.2 HB3 GLU 23 - HB2 ARG 19 far 0 57 0 - 5.4-6.5 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 6 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 23 - HB2 ARG 19 far 0 55 0 - 6.3-7.4 HB2 GLU 16 - HB2 ARG 19 far 0 46 0 - 6.4-7.3 QE MET 21 - HB2 ARG 19 far 0 58 0 - 8.1-8.8 HG3 GLU 28 - HB2 ARG 19 far 0 33 0 - 9.0-11.9 HG2 GLU 28 - HB2 ARG 19 far 0 33 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 4535 from cnoeabs.peaks (8.22, 2.15, 35.78 ppm; 4.26 A): 1 out of 3 assignments used, quality = 0.90: * H GLU 104 + HG2 GLU 104 OK 90 100 90 100 2.0-4.7 7667/1.8=85, 7664/3.0=80...(7) H LYS 68 - HG2 GLU 69 far 0 51 0 - 4.7-5.5 H GLU 43 - HG2 GLU 44 far 0 79 0 - 6.8-7.2 Violated in 4 structures by 0.05 A. Peak 4536 from cnoeabs.peaks (4.13, 2.15, 35.78 ppm; 4.03 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 104 + HG2 GLU 104 OK 100 100 100 100 2.3-3.9 4518=100, 4519/1.8=78...(11) HA GLU 62 - HG2 GLU 69 far 0 75 0 - 6.8-7.5 HA LYS 47 - HG2 GLU 44 far 0 86 0 - 7.1-8.5 HA GLN 72 - HG2 GLU 69 far 0 54 0 - 8.0-9.1 HA GLU 99 - HG2 GLU 104 far 0 100 0 - 8.1-16.5 HA MET 1 - HG2 GLU 104 far 0 75 0 - 9.6-19.2 Violated in 0 structures by 0.00 A. Peak 4537 from cnoeabs.peaks (1.81, 2.15, 35.78 ppm; 3.58 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLU 104 + HG2 GLU 104 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 68 - HG2 GLU 69 far 0 53 0 - 5.2-6.3 HB2 LYS 53 - HG2 GLU 104 far 0 73 0 - 8.1-18.3 HG3 ARG 46 - HG2 GLU 44 far 0 80 0 - 8.2-10.2 HB2 LEU 42 - HG2 GLU 44 far 0 94 0 - 8.7-9.0 HG2 ARG 46 - HG2 GLU 44 far 0 87 0 - 8.7-10.2 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 8 assignments used, quality = 1.00: * HB3 GLU 104 + HG2 GLU 104 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 68 - HG2 GLU 69 far 0 48 0 - 5.2-6.3 HB3 LYS 68 - HG2 GLU 69 far 0 76 0 - 5.5-6.6 HB3 LYS 66 - HG2 GLU 69 far 0 73 0 - 5.7-6.6 HB2 GLU 43 - HG2 GLU 44 far 0 57 0 - 7.0-7.6 HB2 LYS 53 - HG2 GLU 104 far 0 79 0 - 8.1-18.3 HG LEU 42 - HG2 GLU 44 far 0 74 0 - 8.9-9.2 HB VAL 54 - HG2 GLU 44 far 0 88 0 - 9.6-10.5 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): 2 out of 9 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 83 2.2-2.4 3.0=52, 3108/1.8=16...(12) HB3 GLU 69 - HG2 GLU 69 far 3 53 5 - 2.7-3.0 HB3 GLU 43 - HG2 GLU 44 far 0 63 0 - 6.5-6.9 HG2 GLU 28 - HG2 GLU 44 far 0 61 0 - 6.6-9.0 HG3 GLU 28 - HG2 GLU 44 far 0 61 0 - 7.1-9.3 HB2 LEU 64 - HG2 GLU 69 far 0 69 0 - 7.9-8.3 HB3 GLU 62 - HG2 GLU 69 far 0 73 0 - 9.2-10.3 HB3 GLU 35 - HG2 GLU 69 far 0 67 0 - 9.4-11.2 Violated in 0 structures by 0.00 A. Peak 4542 from cnoeabs.peaks (8.22, 2.10, 35.78 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 104 + HG3 GLU 104 OK 100 100 100 100 2.0-4.0 7667=100, 7664/3.0=89...(7) H LYS 68 - HG2 GLU 69 poor 19 36 60 88 4.7-5.5 7122/5.1=43...(13) 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 5 assignments used, quality = 1.00: * HA GLU 104 + HG3 GLU 104 OK 100 100 100 100 2.2-3.9 4.1=100 HA GLU 62 - HG2 GLU 69 far 0 55 0 - 6.8-7.5 HA GLU 99 - HG3 GLU 104 far 0 100 0 - 7.2-16.2 HA GLN 72 - HG2 GLU 69 far 0 38 0 - 8.0-9.1 HA MET 1 - HG3 GLU 104 far 0 75 0 - 8.7-17.8 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 4 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 far 0 37 0 - 5.2-6.3 HB2 LYS 53 - HG3 GLU 104 far 0 73 0 - 7.1-17.2 HB VAL 78 - HG3 GLU 104 far 0 79 0 - 9.3-23.1 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 5 assignments used, quality = 1.00: * HB3 GLU 104 + HG3 GLU 104 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 68 - HG2 GLU 69 far 0 34 0 - 5.2-6.3 HB3 LYS 68 - HG2 GLU 69 far 0 56 0 - 5.5-6.6 HB3 LYS 66 - HG2 GLU 69 far 0 54 0 - 5.7-6.6 HB2 LYS 53 - HG3 GLU 104 far 0 79 0 - 7.1-17.2 Violated in 0 structures by 0.00 A. Peak 4546 from cnoeabs.peaks (2.15, 2.10, 35.78 ppm; 2.40 A): 2 out of 5 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 2.2-2.4 3.0=52, 3100/1.8=20...(11) HB3 GLU 69 - HG2 GLU 69 far 2 45 5 - 2.7-3.0 HB2 GLN 72 - HG2 GLU 69 far 0 50 0 - 6.3-7.5 HB2 LEU 64 - HG2 GLU 69 far 0 31 0 - 7.9-8.3 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 5 assignments used, quality = 0.93: * HB3 HIS 105 + HA HIS 105 OK 93 100 100 93 2.4-2.6 3.0=92, 11097/3.6=12 HB3 HIS 106 - HA HIS 105 far 0 99 0 - 4.6-6.6 HB3 ASN 26 - HA HIS 105 far 0 100 0 - 6.3-26.5 HD3 ARG 79 - HA HIS 105 far 0 99 0 - 7.9-19.0 HD2 ARG 79 - HA HIS 105 far 0 100 0 - 8.8-18.1 Violated in 0 structures by 0.00 A. Peak 4553 from cnoeabs.peaks (8.15, 3.18, 30.00 ppm; 4.31 A): 2 out of 3 assignments used, quality = 1.00: * H HIS 106 + HB2 HIS 106 OK 100 100 100 100 2.2-4.0 4.0=100 H TRP 92 + HB3 TRP 92 OK 75 75 100 100 3.5-3.6 4.0=100 H GLY 100 - HB3 TRP 92 far 0 77 0 - 9.6-11.0 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 - 8.8-23.6 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 - 4.4-7.3 HB2 PHE 96 - HB2 TRP 92 far 0 35 0 - 5.6-6.9 HB3 ASN 26 - HB2 HIS 105 far 0 100 0 - 8.5-28.8 HD3 ARG 79 - HB2 HIS 105 far 0 99 0 - 8.6-19.8 HD3 ARG 79 - HB2 TRP 92 far 0 59 0 - 9.1-11.5 HD2 ARG 79 - HB2 HIS 105 far 0 100 0 - 9.4-19.2 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 3 assignments used, quality = 1.00: * H HIS 106 + HB3 HIS 105 OK 99 100 100 99 2.6-4.5 4.7=96, 3.6/4552=83 H HIS 106 + HB3 HIS 106 OK 97 97 100 100 2.5-3.8 4.0=100 H GLY 100 - HB3 HIS 105 far 0 96 0 - 8.5-18.3 Violated in 0 structures by 0.00 A. Peak 4558 from cnoeabs.peaks (4.59, 3.06, 30.00 ppm; 3.37 A): 1 out of 4 assignments used, quality = 1.00: * HA HIS 105 + HB3 HIS 105 OK 100 100 100 100 2.4-2.6 3.0=100 HA HIS 105 - HB3 HIS 106 far 0 97 0 - 4.6-6.6 HA ASP 77 - HB3 HIS 106 far 0 80 0 - 7.0-24.9 HA ASP 77 - HB3 HIS 105 far 0 87 0 - 9.1-21.9 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 - 4.4-7.3 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 3.0-3.2 3.7=100 HA LEU 3 + QD TYR 4 OK 96 96 100 100 3.0-3.5 3.6/6042=89, 8062=48...(16) HA VAL 54 + QD TYR 4 OK 96 96 100 100 4.0-4.7 3.2/9224=91...(19) HA VAL 5 + QD TYR 4 OK 63 63 100 100 5.7-5.9 3.0/6050=91, ~6049=64...(9) 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 3 assignments used, quality = 1.00: * HB2 TYR 4 + QD TYR 4 OK 100 100 100 100 2.4-2.6 2.5=100 HB2 GLU 48 + QD TYR 4 OK 59 100 60 99 5.4-7.5 9038/14599=45...(15) HB2 TYR 41 + QD TYR 4 OK 52 88 100 59 5.6-6.2 8228/8213=45...(3) 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 2.3-2.4 2.5=100 HG3 GLU 48 - QD TYR 4 poor 20 79 25 - 5.4-7.6 HG3 GLU 23 - QD TYR 4 far 0 73 0 - 9.7-10.5 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 2.2-2.4 3.7=100 HA GLU 44 - QD TYR 41 far 0 99 0 - 7.2-7.6 Violated in 0 structures by 0.00 A. Peak 5509 from cnoeabs.peaks (2.31, 6.83, 131.89 ppm; 5.37 A): 1 out of 4 assignments used, quality = 1.00: * HB2 TYR 41 + QD TYR 41 OK 100 100 100 100 2.6-2.7 2.5=100 HG3 GLU 43 - QD TYR 41 far 0 99 0 - 6.3-8.7 HG3 GLU 44 - QD TYR 41 far 0 59 0 - 6.9-7.4 HB2 TYR 4 - QD TYR 41 far 0 88 0 - 8.0-8.3 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 2.3-2.3 2.5=100 HD2 ARG 30 + QD TYR 41 OK 67 67 100 100 2.8-5.4 1.8/8710=47, ~8897=47...(18) HG3 MET 74 - QD TYR 41 far 0 96 0 - 9.5-11.7 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 1.9-2.1 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 2.3-2.5 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 far 0 98 0 - 5.5-9.3 HE3 LYS 47 - QD PHE 45 far 0 98 0 - 6.4-9.2 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 2.3-2.5 2.5=100 HE2 LYS 47 - QD PHE 45 far 0 99 0 - 5.5-9.3 HE3 LYS 47 - QD PHE 45 far 0 99 0 - 6.4-9.2 Violated in 0 structures by 0.00 A. Peak 5518 from cnoeabs.peaks (6.66, 6.66, 129.63 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * QD PHE 45 + QD PHE 45 OK 99 99 - 100 Peak 5519 from cnoeabs.peaks (6.51, 6.66, 129.63 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 45 + QD PHE 45 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 5520 from cnoeabs.peaks (6.14, 6.66, 129.63 ppm; 6.10 A): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 45 + QD PHE 45 OK 100 100 100 100 3.8-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 5521 from cnoeabs.peaks (6.66, 6.51, 129.73 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 45 + QE PHE 45 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 5522 from cnoeabs.peaks (6.51, 6.51, 129.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 45 + QE PHE 45 OK 100 100 - 100 Peak 5523 from cnoeabs.peaks (6.14, 6.51, 129.73 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 45 + QE PHE 45 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 5525 from cnoeabs.peaks (6.51, 6.14, 127.52 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 45 + HZ PHE 45 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 5526 from cnoeabs.peaks (6.14, 6.14, 127.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 45 + HZ PHE 45 OK 100 100 - 100 Peak 5527 from cnoeabs.peaks (4.82, 6.87, 127.01 ppm; 4.81 A): 1 out of 2 assignments used, quality = 1.00: * HA TRP 92 + HD1 TRP 92 OK 100 100 100 100 4.2-4.5 4.5=100 HA VAL 83 - HD1 TRP 92 far 13 90 15 - 5.1-5.5 Violated in 0 structures by 0.00 A. Peak 5528 from cnoeabs.peaks (3.10, 6.87, 127.01 ppm; 4.99 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TRP 92 + HD1 TRP 92 OK 100 100 100 100 2.5-2.6 3.9=100 HB2 PHE 96 - HD1 TRP 92 far 0 100 0 - 8.1-9.3 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 3.6-3.7 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 poor 17 68 25 - 4.4-5.6 HZ PHE 96 - HE3 TRP 92 far 0 100 0 - 8.4-9.7 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 2 assignments used, quality = 0.96: * HE3 TRP 92 + HZ3 TRP 92 OK 96 96 100 100 2.5-2.5 2.5=100 H ARG 91 - HZ3 TRP 92 far 0 53 0 - 8.9-9.7 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 - 8.7-9.8 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 ARG 91 - HH2 TRP 92 far 0 53 0 - 9.3-10.3 H ALA 89 - HH2 TRP 92 far 0 95 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 5557 from cnoeabs.peaks (7.07, 7.24, 124.39 ppm; 3.65 A): 1 out of 2 assignments used, quality = 0.95: * HZ3 TRP 92 + HH2 TRP 92 OK 95 95 100 100 2.4-2.4 2.4=100 QD PHE 96 - HH2 TRP 92 far 0 60 0 - 7.3-8.9 Violated in 0 structures by 0.00 A. Peak 5558 from cnoeabs.peaks (7.49, 7.24, 124.39 ppm; 3.92 A): 1 out of 2 assignments used, quality = 0.96: * HZ2 TRP 92 + HH2 TRP 92 OK 96 96 100 100 2.5-2.5 2.5=100 H ARG 91 - HH2 TRP 92 far 0 83 0 - 9.3-10.3 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 2.3-3.0 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 5 assignments used, quality = 1.00: * HB2 PHE 96 + QD PHE 96 OK 100 100 100 100 2.3-2.4 2.4=100 HD3 ARG 79 + QD PHE 96 OK 84 85 100 98 3.2-5.2 9700=80, 10912/2.2=39...(9) HD2 ARG 79 + QD PHE 96 OK 58 82 70 100 3.8-6.0 1.8/9700=99, 3.0/8705=39...(9) HB2 TRP 92 - QD PHE 96 far 0 100 0 - 6.7-7.2 HB3 ASN 26 - QD PHE 96 far 0 73 0 - 9.0-10.7 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 2.4-2.6 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 - 6.7-8.7 Violated in 0 structures by 0.00 A. Peak 5567 from cnoeabs.peaks (6.95, 6.95, 131.21 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: * QE PHE 96 + QE PHE 96 OK 97 97 - 100 Peak 5568 from cnoeabs.peaks (7.06, 6.95, 131.21 ppm; 4.16 A): 2 out of 3 assignments used, quality = 0.99: * HZ PHE 96 + QE PHE 96 OK 97 97 100 100 2.2-2.2 2.2=100 QD PHE 96 + QE PHE 96 OK 68 68 100 100 2.2-2.2 2.2=100 HZ3 TRP 92 - QE PHE 96 far 0 97 0 - 6.7-8.7 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 3.9-5.1 3.5/8005=82, 3.5/8006=76...(10) H SER 49 - HA MET 1 far 0 71 0 - 8.8-10.5 Violated in 0 structures by 0.00 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 4.4-4.4 3.0/8=94, 3.0/8007=68...(8) HA GLU 48 - HA MET 1 far 0 73 0 - 8.0-9.7 Violated in 0 structures by 0.00 A. Peak 8003 from cnoeabs.peaks (4.97, 4.16, 54.51 ppm; 5.32 A increased from 4.73 A): 1 out of 1 assignment used, quality = 0.99: HA ASN 51 + HA MET 1 OK 99 99 100 100 4.5-5.1 3.0/8005=85, 3.0/8006=79...(8) Violated in 0 structures by 0.00 A. Peak 8004 from cnoeabs.peaks (5.33, 4.16, 54.51 ppm; 5.68 A increased from 4.79 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 52 + HA MET 1 OK 100 100 100 100 5.2-5.5 8044/8=83, 8033/37=70...(10) Violated in 0 structures by 0.00 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 2.8-3.1 9131=77, 1.8/8006=67...(12) Violated in 0 structures by 0.00 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 2.1-3.3 9134=94, 1.8/8005=88...(11) Violated in 0 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 4.9-5.2 4.0/8=81, 3.1/8010=70...(9) HB ILE 52 - HA MET 1 far 0 87 0 - 6.6-7.1 HB3 LYS 53 - HA MET 1 far 0 99 0 - 7.5-8.3 Violated in 0 structures by 0.00 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 3.1-3.6 2.1/8010=85, 6012/8=80...(10) HG3 LYS 53 - HA MET 1 far 0 65 0 - 5.9-6.5 HB3 LEU 103 - HA MET 1 far 0 93 0 - 7.2-16.8 Violated in 0 structures by 0.00 A. Peak 8009 from cnoeabs.peaks (1.32, 4.16, 54.51 ppm; 5.64 A): 2 out of 2 assignments used, quality = 1.00: HB3 LEU 2 + HA MET 1 OK 99 99 100 100 5.4-5.6 1.8/8007=90, 4.0/8=88...(8) HG LEU 3 + HA MET 1 OK 85 85 100 100 5.5-5.7 8015/5=65, ~8012=55...(11) 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 4 assignments used, quality = 1.00: QD2 LEU 2 + HA MET 1 OK 100 100 100 100 3.2-5.0 12305=77, 2.1/8008=69...(13) QD2 LEU 103 - HA MET 1 far 0 90 0 - 6.2-14.2 QG2 ILE 52 - HA MET 1 far 0 84 0 - 7.0-7.4 QD1 LEU 27 - HA MET 1 far 0 65 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 8011 from cnoeabs.peaks (0.25, 1.94, 32.61 ppm; 5.60 A increased from 5.27 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 3 + HB2 MET 1 OK 99 99 100 100 5.3-5.6 8022/3.0=94, 2.1/8012=86...(15) QD2 LEU 3 - HB2 LYS 94 far 0 42 0 - 9.4-9.9 Violated in 3 structures by 0.00 A. Peak 8012 from cnoeabs.peaks (0.46, 1.94, 32.61 ppm; 5.24 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 3 + HB2 MET 1 OK 100 100 100 100 3.5-4.0 8021/3.0=82, 8017/3.0=80...(17) QD1 LEU 55 - HB2 LYS 94 far 0 35 0 - 8.2-9.7 QD1 LEU 3 - HB2 LYS 94 far 0 44 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 8013 from cnoeabs.peaks (0.46, 2.00, 32.61 ppm; 5.44 A increased from 5.12 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 3 + HB3 MET 1 OK 100 100 100 100 4.7-5.2 8012/1.8=86, 8021/3.0=84...(18) QD1 LEU 55 - HB3 LYS 94 far 0 30 0 - 8.5-9.3 QD1 LEU 3 - HB3 LYS 94 far 0 43 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 8014 from cnoeabs.peaks (0.24, 2.00, 32.61 ppm; 6.50 A increased from 6.16 A): 1 out of 2 assignments used, quality = 0.96: QD2 LEU 3 + HB3 MET 1 OK 96 96 100 100 6.0-6.2 8022/3.0=99, 8011/1.8=97...(18) QD2 LEU 3 - HB3 LYS 94 far 0 38 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 8015 from cnoeabs.peaks (1.31, 2.20, 30.51 ppm; 4.92 A): 1 out of 4 assignments used, quality = 0.99: HG LEU 3 + HG2 MET 1 OK 99 99 100 100 3.1-3.7 8117=87, 2.1/8017=84...(22) HB3 LEU 2 - HG2 MET 1 far 0 87 0 - 5.5-5.7 HB3 LEU 27 - HG2 MET 1 far 0 68 0 - 8.6-10.1 QB ALA 25 - HG2 MET 1 far 0 77 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 8016 from cnoeabs.peaks (1.47, 2.20, 30.51 ppm; 4.70 A): 2 out of 4 assignments used, quality = 1.00: HG3 LYS 53 + HG2 MET 1 OK 99 100 100 99 3.7-4.3 8019/1.8=57...(14) HD2 LYS 53 + HG2 MET 1 OK 39 98 40 100 4.6-5.5 12114/3.3=57...(18) HG2 LYS 53 - HG2 MET 1 far 5 99 5 - 4.8-5.9 HG13 ILE 52 - HG2 MET 1 far 0 96 0 - 6.0-6.5 Violated in 0 structures by 0.00 A. Peak 8017 from cnoeabs.peaks (0.45, 2.20, 30.51 ppm; 4.53 A): 1 out of 1 assignment used, quality = 0.99: QD1 LEU 3 + HG2 MET 1 OK 99 99 100 100 3.7-4.3 8021/1.8=81, 8096=80...(22) Violated in 0 structures by 0.00 A. Peak 8018 from cnoeabs.peaks (0.25, 2.20, 30.51 ppm; 4.60 A increased from 4.09 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 3 + HG2 MET 1 OK 100 100 100 100 4.0-4.4 8100=96, 8022/1.8=92...(21) Violated in 0 structures by 0.00 A. Peak 8019 from cnoeabs.peaks (1.47, 2.42, 30.51 ppm; 4.70 A increased from 4.42 A): 2 out of 5 assignments used, quality = 0.99: HG3 LYS 53 + HG3 MET 1 OK 99 100 100 99 4.2-5.0 8016/1.8=57...(14) HD2 LYS 53 + HG3 MET 1 OK 39 98 40 100 4.5-5.5 9192/8022=60...(25) HG2 LYS 53 - HG3 MET 1 far 0 99 0 - 5.6-6.6 HG13 ILE 52 - HG3 MET 1 far 0 96 0 - 6.9-7.9 HB2 LEU 27 - HG3 MET 1 far 0 96 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 8020 from cnoeabs.peaks (1.30, 2.42, 30.51 ppm; 5.26 A): 1 out of 2 assignments used, quality = 1.00: HG LEU 3 + HG3 MET 1 OK 100 100 100 100 2.7-3.6 2.1/8022=97, 2.1/8021=92...(22) HB3 LEU 2 - HG3 MET 1 far 0 70 0 - 6.0-7.0 Violated in 0 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 = 0.99: QD1 LEU 3 + HG3 MET 1 OK 99 99 100 100 2.4-3.4 2.1/8022=83, 8017/1.8=74...(24) Violated in 0 structures by 0.00 A. Peak 8022 from cnoeabs.peaks (0.25, 2.42, 30.51 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.98: QD2 LEU 3 + HG3 MET 1 OK 98 99 100 100 3.6-3.9 8099=80, 8100/1.8=60...(23) Violated in 0 structures by 0.00 A. Peak 8023 from cnoeabs.peaks (1.47, 1.98, 16.19 ppm; 3.48 A): 3 out of 5 assignments used, quality = 1.00: HD2 LYS 53 + QE MET 1 OK 97 99 100 97 2.1-3.7 1.8/8027=54, 12114=37...(21) HG3 LYS 53 + QE MET 1 OK 96 100 100 96 2.0-3.0 3.0/8027=43...(17) HG2 LYS 53 + QE MET 1 OK 90 100 95 95 2.9-3.9 3.0/8027=43...(20) HG13 ILE 52 - QE MET 1 far 0 99 0 - 5.8-6.4 HB2 LEU 27 - QE MET 1 far 0 99 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 8024 from cnoeabs.peaks (1.30, 1.98, 16.19 ppm; 5.73 A): 1 out of 3 assignments used, quality = 1.00: HG LEU 3 + QE MET 1 OK 100 100 100 100 3.4-4.4 2.1/8026=100, 8116=97...(19) HB3 LEU 2 - QE MET 1 far 0 79 0 - 6.2-6.7 QB ALA 25 - QE MET 1 far 0 68 0 - 8.9-9.9 Violated in 0 structures by 0.00 A. Peak 8025 from cnoeabs.peaks (0.45, 1.98, 16.19 ppm; 4.72 A increased from 4.44 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 3 + QE MET 1 OK 99 99 100 100 3.7-4.7 2.1/8026=90, 8021/3.3=67...(24) QD1 LEU 55 - QE MET 1 far 0 95 0 - 8.3-9.3 Violated in 1 structures by 0.00 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 2.8-4.0 8101=86, 8022/3.3=55...(28) Violated in 0 structures by 0.00 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 99 3.3-4.3 1.8/12114=58, 12115=40...(20) HG LEU 2 - QE MET 1 far 0 98 0 - 4.6-6.1 HB3 LEU 103 - QE MET 1 far 0 100 0 - 5.1-10.5 HB2 LEU 3 - QE MET 1 far 0 85 0 - 5.7-6.6 HG2 ARG 79 - QE MET 1 far 0 100 0 - 8.6-10.0 HG3 ARG 79 - QE MET 1 far 0 100 0 - 9.1-10.7 HB3 GLU 28 - QE MET 1 far 0 68 0 - 9.9-10.9 Violated in 3 structures by 0.01 A. Peak 8028 from cnoeabs.peaks (0.79, 1.98, 16.19 ppm; 5.71 A increased from 4.81 A): 2 out of 7 assignments used, quality = 0.98: QG2 ILE 52 + QE MET 1 OK 97 98 100 100 5.2-5.7 3.2/8033=84...(9) QD2 LEU 2 + QE MET 1 OK 38 95 40 100 5.4-6.4 8058/3.3=82, 8010/37=63...(12) QD2 LEU 103 - QE MET 1 lone 3 68 55 8 3.4-9.0 10125/10100=4, 10125/8031=2 QD1 LEU 27 - QE MET 1 far 0 88 0 - 6.8-7.8 QG1 VAL 54 - QE MET 1 far 0 77 0 - 8.2-8.9 QD1 ILE 76 - QE MET 1 far 0 99 0 - 9.2-10.2 QD2 LEU 42 - QE MET 1 far 0 85 0 - 9.2-10.1 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 = 0.42: HE2 LYS 53 + QE MET 1 OK 26 100 30 87 2.1-4.9 3.0/8027=43...(11) HE3 LYS 53 + QE MET 1 OK 22 99 25 87 1.9-4.6 3.0/8027=43...(11) Violated in 13 structures by 0.23 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 1.9-3.1 3.0/8032=63, 9131/37=41...(13) HB3 PHE 45 - QE MET 1 far 0 92 0 - 8.6-9.3 HB2 PHE 45 - QE MET 1 far 0 65 0 - 9.9-10.7 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 83 100 100 83 3.9-5.1 12051/8025=60...(9) HA3 GLY 101 + QE MET 1 OK 68 87 95 83 2.6-5.9 10100=33, 10108/8026=28...(12) HA2 GLY 101 + QE MET 1 OK 56 100 75 74 2.0-6.7 1.8/10100=36...(12) HB2 SER 102 - QE MET 1 far 4 85 5 - 5.3-9.4 HB3 SER 49 - QE MET 1 far 0 98 0 - 8.9-9.5 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 = 0.95: HA ASN 51 + QE MET 1 OK 95 100 100 95 2.6-3.4 3.0/8030=57...(9) 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 4.0-4.7 9159=73, 3.0/8037=65...(16) Violated in 0 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 4.2-4.8 9160=89, 8033/3.3=73...(14) Violated in 0 structures by 0.00 A. Peak 8035 from cnoeabs.peaks (5.34, 2.42, 30.51 ppm; 6.22 A increased from 5.85 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 52 + HG3 MET 1 OK 100 100 100 100 5.3-6.2 8034/1.8=97, 8033/3.3=90...(12) Violated in 1 structures by 0.00 A. Peak 8036 from cnoeabs.peaks (7.68, 1.98, 16.19 ppm; 5.96 A increased from 5.60 A): 1 out of 2 assignments used, quality = 1.00: HD22 ASN 51 + QE MET 1 OK 100 100 100 100 4.8-6.0 3.5/8030=91, 4.4/8032=82...(11) H GLU 98 - QE MET 1 far 0 82 0 - 8.5-9.9 Violated in 1 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 4.3-4.7 9154=98, 6854/8032=76...(13) Violated in 0 structures by 0.00 A. Peak 8038 from cnoeabs.peaks (6.97, 1.98, 16.19 ppm; 6.44 A increased from 5.43 A): 2 out of 2 assignments used, quality = 1.00: HD21 ASN 51 + QE MET 1 OK 99 99 100 100 5.0-6.6 3.5/8030=96, 1.7/8036=93...(10) QE PHE 96 + QE MET 1 OK 98 98 100 100 5.7-6.5 8072/8026=91...(11) Violated in 0 structures by 0.00 A. Peak 8039 from cnoeabs.peaks (6.45, 1.70, 43.59 ppm; 4.17 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 4 + HB2 LEU 2 OK 100 100 100 100 2.6-3.4 8158/3.1=62, 8155/1.8=50...(22) QD TYR 4 + HB2 LEU 2 OK 98 98 100 100 3.5-4.1 14573=47, 8040/1.8=39...(27) Violated in 0 structures by 0.00 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: QD TYR 4 + HB3 LEU 2 OK 100 100 100 100 3.8-4.1 2.2/8155=45...(22) QE TYR 4 + HB3 LEU 2 OK 98 99 100 99 2.2-2.6 8158/3.1=57, 8155=48...(18) Violated in 0 structures by 0.00 A. Peak 8041 from cnoeabs.peaks (6.45, 0.81, 23.49 ppm; 4.10 A): 1 out of 2 assignments used, quality = 0.99: QE TYR 4 + QD2 LEU 2 OK 99 100 100 99 2.9-4.1 8158=72, 8157/2.1=52...(19) QD TYR 4 - QD2 LEU 2 far 0 97 0 - 4.7-5.6 Violated in 1 structures by 0.00 A. Peak 8042 from cnoeabs.peaks (6.44, 0.88, 24.80 ppm; 4.64 A increased from 3.91 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 4 + QD1 LEU 2 OK 100 100 100 100 3.0-4.5 8158/2.1=87, 8157=82...(22) QD TYR 4 + QD1 LEU 2 OK 35 99 35 100 4.4-5.3 2.2/8157=67, ~8158=58...(26) Violated in 0 structures by 0.00 A. Peak 8045 from cnoeabs.peaks (5.32, 4.46, 54.47 ppm; 6.23 A): 1 out of 1 assignment used, quality = 0.97: HA ILE 52 + HA LEU 2 OK 97 97 100 100 4.4-4.6 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 = 0.99: HA ILE 52 + HB2 LEU 2 OK 99 99 100 100 1.9-2.3 8047/1.8=67, 12271=58...(20) Violated in 0 structures by 0.00 A. Peak 8047 from cnoeabs.peaks (5.33, 1.33, 43.59 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.99: HA ILE 52 + HB3 LEU 2 OK 99 99 100 100 3.7-4.0 8046/1.8=89...(15) Violated in 0 structures by 0.00 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 4 assignments used, quality = 0.95: HA ILE 52 + QD1 LEU 2 OK 95 95 100 100 2.5-3.4 12272=93, 3.8/12039=79...(17) HA ILE 52 - QD1 LEU 103 far 0 57 0 - 7.8-14.8 HA THR 80 - QD1 LEU 103 far 0 51 0 - 8.4-20.2 HA LEU 57 - QD1 LEU 103 far 0 31 0 - 9.3-21.9 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 4.1-4.6 8087=80, 2.1/8084=69...(9) 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 = 0.99: HG12 ILE 52 + HB2 LEU 2 OK 99 99 100 100 3.3-4.1 2.1/12275=71...(16) Violated in 0 structures by 0.00 A. Peak 8052 from cnoeabs.peaks (1.04, 1.33, 43.59 ppm; 5.31 A increased from 4.99 A): 1 out of 1 assignment used, quality = 1.00: HG12 ILE 52 + HB3 LEU 2 OK 100 100 100 100 4.3-5.0 8051/1.8=96, ~12275=71...(17) Violated in 0 structures by 0.00 A. Peak 8053 from cnoeabs.peaks (2.01, 0.88, 24.80 ppm; 3.91 A): 1 out of 17 assignments used, quality = 0.65: HB3 GLU 48 + QD1 LEU 2 OK 65 65 100 99 2.3-3.3 3.0/8056=53, 1.8/9038=47...(23) QE MET 1 - QD1 LEU 2 poor 16 68 30 80 3.8-5.9 ~8058=29, 3.3/8054=23...(11) HB2 GLN 50 - QD1 LEU 2 far 10 98 10 - 4.1-5.8 HB3 GLU 99 - QD1 LEU 103 far 7 48 15 - 2.7-12.2 HB2 GLU 99 - QD1 LEU 103 far 4 40 10 - 2.0-12.5 QE MET 1 - QD1 LEU 103 far 2 36 5 - 4.2-8.8 HB3 MET 1 - QD1 LEU 103 far 0 63 0 - 4.4-12.1 HB3 MET 1 - QD1 LEU 2 far 0 99 0 - 5.0-7.0 HB2 GLU 98 - QD1 LEU 103 far 0 39 0 - 6.1-14.1 HB3 GLU 98 - QD1 LEU 103 far 0 40 0 - 6.1-13.7 HB2 GLN 50 - QD1 LEU 103 far 0 61 0 - 7.1-17.0 HB2 GLU 44 - QD1 LEU 2 far 0 99 0 - 8.1-9.9 HB2 ARG 46 - QD1 LEU 2 far 0 63 0 - 8.3-9.3 HB3 LYS 94 - QD1 LEU 103 far 0 61 0 - 8.6-19.9 HG12 ILE 93 - QD1 LEU 103 far 0 48 0 - 8.6-20.6 HB3 GLU 44 - QD1 LEU 2 far 0 99 0 - 8.8-10.6 QE MET 74 - QD1 LEU 2 far 0 99 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 8054 from cnoeabs.peaks (2.21, 0.88, 24.80 ppm; 4.24 A): 2 out of 7 assignments used, quality = 0.85: HB3 GLN 50 + QD1 LEU 2 OK 66 73 100 90 3.1-4.3 2.9/12283=42...(10) HG2 MET 1 + QD1 LEU 2 OK 57 99 65 88 3.6-5.6 8058/2.1=60, 6006/4.7=36...(7) HG2 GLU 99 - QD1 LEU 103 far 6 59 10 - 4.0-13.8 HB2 GLU 95 - QD1 LEU 103 far 3 65 5 - 3.7-16.4 HG2 MET 1 - QD1 LEU 103 far 0 63 0 - 6.3-12.5 HB3 GLN 50 - QD1 LEU 103 far 0 40 0 - 7.8-17.3 HG2 GLU 98 - QD1 LEU 103 far 0 63 0 - 8.3-15.1 Violated in 0 structures by 0.00 A. Peak 8055 from cnoeabs.peaks (2.32, 0.88, 24.80 ppm; 4.39 A): 2 out of 6 assignments used, quality = 1.00: HG2 GLU 48 + QD1 LEU 2 OK 99 99 100 100 3.0-4.4 1.8/8056=83, 3.0/8053=57...(24) HB2 GLU 48 + QD1 LEU 2 OK 84 84 100 100 1.8-2.4 1.8/8053=71, 3.0/8056=66...(33) HD3 ARG 81 - QD1 LEU 103 far 0 58 0 - 6.3-22.4 HB2 TYR 4 - QD1 LEU 2 far 0 71 0 - 6.5-7.4 HG3 GLU 44 - QD1 LEU 2 far 0 79 0 - 6.7-8.9 HB2 GLU 48 - QD1 LEU 103 far 0 48 0 - 9.5-18.1 Violated in 0 structures by 0.00 A. Peak 8056 from cnoeabs.peaks (2.43, 0.88, 24.80 ppm; 4.18 A): 1 out of 9 assignments used, quality = 1.00: HG3 GLU 48 + QD1 LEU 2 OK 100 100 100 100 1.9-3.6 9042=77, 9043/2.1=64...(22) HG3 GLU 99 - QD1 LEU 103 far 9 61 15 - 2.5-14.2 HG2 GLN 50 - QD1 LEU 2 far 4 84 5 - 4.4-5.4 HG3 GLN 50 - QD1 LEU 2 far 0 100 0 - 4.7-5.8 HG3 MET 1 - QD1 LEU 2 far 0 99 0 - 5.0-7.0 HG3 MET 1 - QD1 LEU 103 far 0 63 0 - 5.1-11.6 HB3 TYR 4 - QD1 LEU 2 far 0 73 0 - 7.5-8.5 HG2 GLN 50 - QD1 LEU 103 far 0 48 0 - 7.9-19.0 HG3 GLN 50 - QD1 LEU 103 far 0 64 0 - 8.1-18.7 Violated in 0 structures by 0.00 A. Peak 8057 from cnoeabs.peaks (2.02, 0.81, 23.49 ppm; 5.09 A increased from 4.07 A): 2 out of 12 assignments used, quality = 0.89: HB3 GLU 48 + QD2 LEU 2 OK 85 85 100 100 2.3-5.1 8053/2.1=74, 3.0/9043=61...(20) HB3 MET 1 + QD2 LEU 2 OK 23 92 25 100 5.1-6.9 3.0/8058=81, 3.0/8010=68...(11) HB3 GLU 99 - QD2 LEU 103 poor 16 52 30 - 3.4-11.4 HB3 MET 1 - QD2 LEU 103 far 7 48 15 - 4.8-12.9 HB2 GLU 99 - QD2 LEU 103 far 5 47 10 - 4.0-10.7 HB2 GLN 50 - QD2 LEU 2 far 0 100 0 - 5.7-7.4 HB3 GLU 98 - QD2 LEU 103 far 0 47 0 - 6.3-14.5 HB2 GLU 98 - QD2 LEU 103 far 0 46 0 - 6.3-14.5 HB2 GLU 44 - QD2 LEU 2 far 0 90 0 - 8.1-10.6 HB2 GLN 50 - QD2 LEU 103 far 0 57 0 - 8.4-18.1 HB3 GLU 44 - QD2 LEU 2 far 0 90 0 - 8.6-11.3 HB3 LYS 94 - QD2 LEU 103 far 0 57 0 - 9.8-19.4 Violated in 0 structures by 0.00 A. Peak 8058 from cnoeabs.peaks (2.19, 0.81, 23.49 ppm; 4.27 A): 0 out of 9 assignments used, quality = 0.00: HG2 MET 1 - QD2 LEU 2 poor 20 98 25 81 4.4-5.8 4.2/8010=39, 6006/4.7=36...(7) HB3 GLU 95 - QD2 LEU 103 far 2 40 5 - 3.7-15.4 HG2 GLU 99 - QD2 LEU 103 far 2 32 5 - 3.7-11.8 HB3 GLN 50 - QD2 LEU 2 far 0 98 0 - 4.6-6.0 HG2 GLU 104 - QD2 LEU 103 far 0 27 0 - 4.9-8.0 HB2 GLU 95 - QD2 LEU 103 far 0 49 0 - 5.0-16.4 HG2 MET 1 - QD2 LEU 103 far 0 54 0 - 5.7-12.2 HG2 GLU 98 - QD2 LEU 103 far 0 39 0 - 8.0-16.2 HB3 GLN 50 - QD2 LEU 103 far 0 54 0 - 9.1-17.7 Violated in 12 structures by 0.05 A. Peak 8060 from cnoeabs.peaks (7.04, 5.13, 53.57 ppm; 5.11 A): 2 out of 2 assignments used, quality = 0.96: HZ PHE 96 + HA LEU 3 OK 87 87 100 100 3.5-4.7 8120/99=62, 2.2/8061=58...(16) QD PHE 96 + HA LEU 3 OK 69 99 70 100 4.3-6.1 8065/3.0=63, 2.2/8061=58...(13) 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 2 assignments used, quality = 1.00: QE PHE 96 + HA LEU 3 OK 100 100 100 100 2.6-4.0 8072/125=94, 8119/99=94...(20) HD21 ASN 51 - HA LEU 3 far 0 92 0 - 9.4-11.5 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 3.0-3.5 6042/99=91, 2.2/8128=35...(16) QE TYR 4 + HA LEU 3 OK 96 99 100 97 4.6-5.0 8126/99=58, 8128=42...(12) 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 = 1.00: H LYS 53 + HA LEU 3 OK 100 100 100 100 2.3-2.8 9178=100, 9182/125=54...(18) H VAL 54 - HA LEU 3 far 0 90 0 - 5.2-5.6 H ARG 79 - HA LEU 3 far 0 75 0 - 7.9-8.6 H LEU 29 - HA LEU 3 far 0 95 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 8065 from cnoeabs.peaks (7.04, 1.55, 44.04 ppm; 5.39 A increased from 5.07 A): 1 out of 2 assignments used, quality = 0.94: QD PHE 96 + HB2 LEU 3 OK 94 99 95 100 4.0-5.7 2.2/8066=88...(19) HZ PHE 96 - HB2 LEU 3 poor 17 87 20 - 5.2-6.5 Violated in 3 structures by 0.02 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 3.7-4.4 8068/1.8=85, 8072/3.1=76...(20) Violated in 0 structures by 0.00 A. Peak 8067 from cnoeabs.peaks (7.03, 1.15, 44.04 ppm; 4.93 A): 2 out of 2 assignments used, quality = 1.00: QD PHE 96 + HB3 LEU 3 OK 100 100 100 100 2.4-4.3 2.2/8068=83, 8065/1.8=67...(18) HZ PHE 96 + HB3 LEU 3 OK 69 70 100 100 3.7-5.0 2.2/8068=83, ~8066=58...(18) 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 2.0-2.7 8066/1.8=72, 8072/3.1=70...(23) Violated in 0 structures by 0.00 A. Peak 8069 from cnoeabs.peaks (7.04, 1.30, 27.70 ppm; 5.78 A increased from 5.44 A): 2 out of 2 assignments used, quality = 0.99: QD PHE 96 + HG LEU 3 OK 93 98 95 100 5.0-6.3 2.2/8070=93, ~8072=80...(15) HZ PHE 96 + HG LEU 3 OK 92 92 100 100 4.6-5.8 2.2/8070=93, ~8072=80...(17) Violated in 0 structures by 0.00 A. Peak 8070 from cnoeabs.peaks (6.96, 1.30, 27.70 ppm; 4.93 A): 1 out of 2 assignments used, quality = 1.00: QE PHE 96 + HG LEU 3 OK 100 100 100 100 4.2-4.8 8072/2.1=91, 8074/2.1=79...(22) HD21 ASN 51 - HG LEU 3 far 0 92 0 - 8.6-10.9 Violated in 0 structures by 0.00 A. Peak 8071 from cnoeabs.peaks (7.04, 0.26, 24.15 ppm; 3.99 A): 2 out of 3 assignments used, quality = 1.00: QD PHE 96 + QD2 LEU 3 OK 97 98 100 100 2.7-3.5 2.2/8072=68...(20) HZ PHE 96 + QD2 LEU 3 OK 93 93 100 100 2.1-3.2 2.2/8072=68...(24) HZ3 TRP 92 - QD2 LEU 3 far 0 92 0 - 8.8-10.4 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 2.0-2.5 8074/2.1=55, 8070/2.1=51...(31) HD21 ASN 51 - QD2 LEU 3 far 0 96 0 - 8.7-10.3 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 2 assignments used, quality = 1.00: QD PHE 96 + QD1 LEU 3 OK 99 99 100 100 3.8-4.6 2.2/8074=77...(20) HZ PHE 96 + QD1 LEU 3 OK 26 87 30 100 4.8-5.9 2.2/8074=77, ~8072=62...(20) 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 3.7-4.6 8072/2.1=89, 8070/2.1=72...(26) HD21 ASN 51 - QD1 LEU 3 far 0 92 0 - 8.5-10.6 Violated in 0 structures by 0.00 A. Peak 8075 from cnoeabs.peaks (8.15, 0.46, 24.71 ppm; 5.49 A): 1 out of 2 assignments used, quality = 0.97: H GLY 100 + QD1 LEU 3 OK 97 97 100 100 2.7-4.2 10085=95, 2.9/12051=90...(13) H HIS 106 - QD1 LEU 3 far 0 100 0 - 8.1-16.7 Violated in 0 structures by 0.00 A. Peak 8076 from cnoeabs.peaks (8.22, 0.46, 24.71 ppm; 5.44 A): 1 out of 4 assignments used, quality = 1.00: H SER 97 + QD1 LEU 3 OK 100 100 100 100 4.2-5.4 3.0/8093=96...(11) H PHE 96 - QD1 LEU 3 far 0 100 0 - 5.9-7.2 H LEU 27 - QD1 LEU 3 far 0 88 0 - 6.2-6.8 H GLU 104 - QD1 LEU 3 far 0 100 0 - 6.7-12.4 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 = 0.97: H LYS 53 + QD1 LEU 3 OK 90 100 90 100 5.2-5.8 8078/2.1=98, 9178/3.9=81...(16) H LEU 2 + QD1 LEU 3 OK 67 68 100 100 4.5-5.2 3.0/8087=78, 4.6/132=70...(14) H VAL 54 - QD1 LEU 3 far 0 96 0 - 7.4-8.0 H LEU 29 - QD1 LEU 3 far 0 88 0 - 8.7-9.3 H ARG 79 - QD1 LEU 3 far 0 85 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 8078 from cnoeabs.peaks (8.47, 0.26, 24.15 ppm; 4.13 A): 1 out of 5 assignments used, quality = 1.00: H LYS 53 + QD2 LEU 3 OK 100 100 100 100 3.3-4.0 9182=98, 9178/125=60...(19) H VAL 54 - QD2 LEU 3 far 0 96 0 - 4.8-5.5 H LEU 2 - QD2 LEU 3 far 0 68 0 - 4.9-5.5 H ARG 79 - QD2 LEU 3 far 0 85 0 - 6.2-7.0 H LEU 29 - QD2 LEU 3 far 0 88 0 - 9.0-9.5 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 3 assignments used, quality = 1.00: H LYS 53 + HG LEU 3 OK 100 100 100 100 3.9-4.6 9182/2.1=97, 9178/3.7=84...(14) H VAL 54 - HG LEU 3 far 0 91 0 - 7.0-7.7 H ARG 79 - HG LEU 3 far 0 77 0 - 9.3-10.2 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 3.9-4.6 1185/10132=96...(5) HA LEU 55 - HB2 LEU 3 far 0 96 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 8081 from cnoeabs.peaks (4.46, 1.55, 44.04 ppm; 5.57 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 2 + HB2 LEU 3 OK 99 99 100 100 4.3-4.4 6018/6025=95...(9) Violated in 0 structures by 0.00 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 5.6-5.6 8081/1.8=97, 6018/4.0=97...(8) HA ALA 25 - HB3 LEU 3 far 0 63 0 - 8.3-9.1 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 4.0-4.3 6018/116=80, 8050/2.1=77...(9) HA ALA 25 - HG LEU 3 far 0 63 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 8085 from cnoeabs.peaks (4.46, 0.26, 24.15 ppm; 5.74 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 2 + QD2 LEU 3 OK 100 100 100 100 5.3-5.5 8050/2.1=95...(8) HA GLU 48 - QD2 LEU 3 far 0 63 0 - 9.9-11.5 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 4.8-5.4 4.0/10137=78...(6) HA LEU 55 - QD1 LEU 3 far 0 84 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 8087 from cnoeabs.peaks (4.47, 0.46, 24.71 ppm; 4.91 A): 1 out of 2 assignments used, quality = 0.98: HA LEU 2 + QD1 LEU 3 OK 98 98 100 100 4.1-4.6 8050=88, 6018/132=78...(9) HA PHE 96 - QD1 LEU 3 far 10 63 15 - 4.8-6.2 Violated in 0 structures by 0.00 A. Peak 8089 from cnoeabs.peaks (3.93, 0.26, 24.15 ppm; 5.36 A increased from 4.76 A): 1 out of 2 assignments used, quality = 0.95: HB2 SER 97 + QD2 LEU 3 OK 95 95 100 100 5.0-5.1 3.0/8090=87, 8092/2.1=86...(10) HB2 SER 102 - QD2 LEU 3 far 0 59 0 - 6.0-9.4 Violated in 0 structures by 0.00 A. Peak 8090 from cnoeabs.peaks (3.83, 0.26, 24.15 ppm; 4.20 A): 1 out of 3 assignments used, quality = 0.99: HA SER 97 + QD2 LEU 3 OK 99 99 100 100 3.0-3.4 8093/2.1=85, 10067=68...(14) HB3 SER 102 - QD2 LEU 3 far 0 96 0 - 6.4-8.7 HA ALA 22 - QD2 LEU 3 far 0 100 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 8091 from cnoeabs.peaks (3.72, 0.26, 24.15 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: HA3 GLY 100 + QD2 LEU 3 OK 100 100 100 100 1.9-4.6 10090=99, 10089/2.1=79...(12) Violated in 0 structures by 0.00 A. Peak 8092 from cnoeabs.peaks (3.94, 0.46, 24.71 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: HB2 SER 97 + QD1 LEU 3 OK 100 100 100 100 3.8-4.6 3.0/8093=84, 10080=78...(11) Violated in 0 structures by 0.00 A. Peak 8093 from cnoeabs.peaks (3.83, 0.46, 24.71 ppm; 3.60 A): 1 out of 3 assignments used, quality = 0.99: HA SER 97 + QD1 LEU 3 OK 99 99 100 100 1.9-3.0 10066=98, 8090/2.1=54...(15) HB3 SER 102 - QD1 LEU 3 far 5 96 5 - 3.9-10.2 HA ALA 22 - QD1 LEU 3 far 0 100 0 - 7.4-8.2 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 2.0-4.8 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 5 assignments used, quality = 0.97: HG3 MET 1 + QD1 LEU 3 OK 97 97 100 100 2.4-3.4 8021=94, 8022/2.1=88...(24) HG3 GLU 99 - QD1 LEU 3 far 5 100 5 - 4.7-8.0 HB3 TYR 4 - QD1 LEU 3 far 0 84 0 - 7.8-7.9 HG3 GLU 48 - QD1 LEU 3 far 0 100 0 - 8.8-10.2 HB3 MET 21 - QD1 LEU 3 far 0 71 0 - 9.8-10.5 Violated in 0 structures by 0.00 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 3.7-4.3 8017=98, 1.8/8021=88...(22) HG2 GLU 99 - QD1 LEU 3 far 0 85 0 - 5.2-7.8 HG2 GLU 98 - QD1 LEU 3 far 0 93 0 - 6.5-7.9 HB2 GLU 95 - QD1 LEU 3 far 0 99 0 - 7.8-9.8 HB3 GLU 95 - QD1 LEU 3 far 0 61 0 - 8.0-10.0 HB3 GLN 50 - QD1 LEU 3 far 0 90 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 8097 from cnoeabs.peaks (1.97, 0.46, 24.71 ppm; 4.62 A): 2 out of 4 assignments used, quality = 1.00: QE MET 1 + QD1 LEU 3 OK 100 100 100 100 3.7-4.7 8025=93, 8026/2.1=88...(24) HB2 MET 1 + QD1 LEU 3 OK 77 77 100 100 3.5-4.0 3.0/8021=67, 3.0/8017=65...(17) HB3 MET 1 - QD1 LEU 3 far 8 75 10 - 4.7-5.2 HB3 LYS 24 - QD1 LEU 3 far 0 99 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 8098 from cnoeabs.peaks (2.82, 0.26, 24.15 ppm; 5.31 A increased from 4.25 A): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 53 + QD2 LEU 3 OK 97 97 100 100 4.2-5.3 3.0/9192=84, 5.0/8114=68...(17) HE3 LYS 53 + QD2 LEU 3 OK 95 95 100 100 3.2-5.4 3.0/9192=84, 5.0/8114=68...(17) Violated in 0 structures by 0.00 A. Peak 8099 from cnoeabs.peaks (2.43, 0.26, 24.15 ppm; 4.20 A): 1 out of 5 assignments used, quality = 0.99: HG3 MET 1 + QD2 LEU 3 OK 99 99 100 100 3.6-3.9 8022=97, 1.8/8100=70...(25) HG3 GLU 99 - QD2 LEU 3 far 5 99 5 - 3.7-7.3 HB3 TYR 4 - QD2 LEU 3 far 0 75 0 - 6.5-6.8 HG3 GLU 48 - QD2 LEU 3 far 0 100 0 - 8.8-10.2 HG2 GLN 50 - QD2 LEU 3 far 0 82 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 8100 from cnoeabs.peaks (2.21, 0.26, 24.15 ppm; 4.46 A increased from 4.20 A): 1 out of 5 assignments used, quality = 0.98: HG2 MET 1 + QD2 LEU 3 OK 98 98 100 100 4.0-4.4 8018=88, 1.8/8022=87...(21) HG2 GLU 99 - QD2 LEU 3 far 10 99 10 - 4.5-7.5 HB2 GLU 95 - QD2 LEU 3 far 0 100 0 - 7.4-9.2 HG2 GLU 98 - QD2 LEU 3 far 0 100 0 - 7.8-8.7 HB3 GLN 50 - QD2 LEU 3 far 0 63 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 8101 from cnoeabs.peaks (1.99, 0.26, 24.15 ppm; 4.06 A): 1 out of 3 assignments used, quality = 0.96: QE MET 1 + QD2 LEU 3 OK 96 96 100 100 2.8-4.0 8026=93, 3.3/8022=56...(28) HB3 MET 1 - QD2 LEU 3 far 0 99 0 - 6.0-6.2 HB3 LYS 94 - QD2 LEU 3 far 0 75 0 - 9.5-10.1 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 4.6-5.3 9157=88, 6868/9182=86...(11) HA THR 80 - QD2 LEU 3 far 0 100 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 8103 from cnoeabs.peaks (5.34, 0.46, 24.71 ppm; 6.45 A increased from 6.07 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 52 + QD1 LEU 3 OK 100 100 100 100 5.8-6.4 9157/2.1=95, 8104/2.1=84...(10) Violated in 0 structures by 0.00 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 4.5-5.3 8102/2.1=93...(13) 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 3.6/9178=98, 8102/125=87...(11) Violated in 0 structures by 0.00 A. Peak 8106 from cnoeabs.peaks (1.72, 5.13, 53.57 ppm; 5.43 A): 2 out of 3 assignments used, quality = 0.99: HB2 LEU 2 + HA LEU 3 OK 96 96 100 100 4.1-4.4 ~67=68, ~6018=61, ~51=61...(16) HB3 LYS 53 + HA LEU 3 OK 75 75 100 100 2.7-3.3 3.9/9178=82, 8138/99=66...(12) HB2 GLU 28 - HA LEU 3 far 0 84 0 - 7.3-8.0 Violated in 0 structures by 0.00 A. Peak 8107 from cnoeabs.peaks (0.75, 5.13, 53.57 ppm; 5.55 A): 3 out of 11 assignments used, quality = 1.00: QD1 LEU 27 + HA LEU 3 OK 96 96 100 100 4.7-5.5 10134/3.0=85, ~10132=74...(13) QD2 LEU 27 + HA LEU 3 OK 87 87 100 100 4.2-5.0 12276/3.0=85...(12) QG2 ILE 52 + HA LEU 3 OK 74 85 90 96 5.3-5.9 4.3/9178=78, 3.2/8105=53...(6) QG1 VAL 54 - HA LEU 3 far 0 99 0 - 5.9-6.5 QG1 VAL 78 - HA LEU 3 far 0 99 0 - 6.9-7.9 QG1 VAL 5 - HA LEU 3 far 0 82 0 - 7.5-7.8 QG2 ILE 93 - HA LEU 3 far 0 100 0 - 7.6-8.5 QD1 LEU 6 - HA LEU 3 far 0 95 0 - 8.4-9.0 QD2 LEU 42 - HA LEU 3 far 0 98 0 - 8.5-9.0 QG2 VAL 78 - HA LEU 3 far 0 73 0 - 9.0-9.7 QD1 ILE 93 - HA LEU 3 far 0 96 0 - 10.0-10.9 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 7 assignments used, quality = 1.00: QD2 LEU 27 + HB2 LEU 3 OK 100 100 100 100 1.9-2.7 10132=100, 10133/1.8=78...(20) QG2 ILE 93 - HB2 LEU 3 far 0 90 0 - 6.4-7.5 QD1 ILE 52 - HB2 LEU 3 far 0 70 0 - 6.6-7.4 QG1 VAL 54 - HB2 LEU 3 far 0 71 0 - 7.5-8.2 QG1 VAL 5 - HB2 LEU 3 far 0 100 0 - 7.7-8.0 QG1 VAL 78 - HB2 LEU 3 far 0 95 0 - 9.2-10.2 HG13 ILE 93 - HB2 LEU 3 far 0 96 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 8109 from cnoeabs.peaks (0.74, 1.30, 27.70 ppm; 4.49 A): 1 out of 7 assignments used, quality = 0.97: QD2 LEU 27 + HG LEU 3 OK 97 97 100 100 3.8-4.5 10136/2.1=81...(15) QD1 LEU 27 - HG LEU 3 far 4 85 5 - 4.7-5.4 QG2 ILE 52 - HG LEU 3 far 0 68 0 - 6.7-7.2 QG1 VAL 54 - HG LEU 3 far 0 94 0 - 8.0-8.6 QG2 ILE 93 - HG LEU 3 far 0 100 0 - 8.1-8.9 QG1 VAL 78 - HG LEU 3 far 0 100 0 - 8.7-9.7 QG1 VAL 5 - HG LEU 3 far 0 95 0 - 8.9-9.2 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 3.2-3.8 10136=99, 10132/3.1=70...(18) QD1 LEU 27 + QD2 LEU 3 OK 77 77 100 100 3.3-3.8 2.1/10136=74...(18) QG1 VAL 54 - QD2 LEU 3 far 0 88 0 - 5.9-6.5 QG2 ILE 93 - QD2 LEU 3 far 0 98 0 - 6.0-6.4 QG1 VAL 5 - QD2 LEU 3 far 0 98 0 - 6.3-6.7 QG1 VAL 78 - QD2 LEU 3 far 0 100 0 - 6.7-7.4 QG2 VAL 78 - QD2 LEU 3 far 0 95 0 - 7.8-8.5 HG13 ILE 93 - QD2 LEU 3 far 0 100 0 - 8.0-9.0 QD1 ILE 93 - QD2 LEU 3 far 0 75 0 - 8.1-8.7 QD2 LEU 42 - QD2 LEU 3 far 0 81 0 - 8.1-8.8 QD1 LEU 6 - QD2 LEU 3 far 0 73 0 - 8.3-8.7 QD1 ILE 56 - QD2 LEU 3 far 0 75 0 - 8.5-9.2 HG3 ARG 81 - QD2 LEU 3 far 0 100 0 - 9.0-12.5 HG13 ILE 56 - QD2 LEU 3 far 0 87 0 - 9.7-10.2 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 11 assignments used, quality = 1.00: QD2 LEU 27 + QD1 LEU 3 OK 100 100 100 100 1.9-2.3 10136/2.1=54...(18) QD1 LEU 27 + QD1 LEU 3 OK 66 68 100 98 2.7-3.4 ~10136=32, ~8109=28...(20) QG2 ILE 93 - QD1 LEU 3 far 0 95 0 - 5.9-6.5 QD1 ILE 52 - QD1 LEU 3 far 0 59 0 - 6.9-7.5 QG1 VAL 5 - QD1 LEU 3 far 0 100 0 - 7.3-7.7 QG1 VAL 54 - QD1 LEU 3 far 0 81 0 - 7.6-8.2 QD1 ILE 93 - QD1 LEU 3 far 0 65 0 - 8.2-9.1 QG1 VAL 78 - QD1 LEU 3 far 0 98 0 - 8.6-9.4 HG13 ILE 93 - QD1 LEU 3 far 0 99 0 - 8.7-10.0 QD1 LEU 6 - QD1 LEU 3 far 0 63 0 - 9.8-10.3 QG2 VAL 78 - QD1 LEU 3 far 0 98 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 8112 from cnoeabs.peaks (1.47, 0.46, 24.71 ppm; 5.04 A increased from 4.75 A): 2 out of 7 assignments used, quality = 1.00: HG3 LYS 53 + QD1 LEU 3 OK 100 100 100 100 4.4-5.2 11033/2.1=91...(26) HD2 LYS 53 + QD1 LEU 3 OK 45 100 45 100 4.3-5.9 9192/2.1=93, ~9193=61...(18) HB2 LEU 27 - QD1 LEU 3 far 15 99 15 - 5.2-5.8 HG2 LYS 53 - QD1 LEU 3 far 0 100 0 - 5.8-6.6 HG13 ILE 52 - QD1 LEU 3 far 0 99 0 - 6.4-7.1 QB ALA 22 - QD1 LEU 3 far 0 77 0 - 6.8-7.7 HG LEU 29 - QD1 LEU 3 far 0 77 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 8113 from cnoeabs.peaks (1.47, 0.26, 24.15 ppm; 3.45 A): 2 out of 8 assignments used, quality = 1.00: HG3 LYS 53 + QD2 LEU 3 OK 100 100 100 100 2.3-3.3 3.0/8114=54...(28) HD2 LYS 53 + QD2 LEU 3 OK 89 100 90 99 2.1-4.1 9192=56, 3.6/8114=44...(20) HG2 LYS 53 - QD2 LEU 3 far 0 100 0 - 3.7-4.4 HG13 ILE 52 - QD2 LEU 3 far 0 99 0 - 5.3-6.3 HB2 LEU 27 - QD2 LEU 3 far 0 99 0 - 5.8-6.6 QB ALA 22 - QD2 LEU 3 far 0 77 0 - 7.1-7.9 HG LEU 29 - QD2 LEU 3 far 0 77 0 - 9.2-10.1 HG LEU 57 - QD2 LEU 3 far 0 65 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 8114 from cnoeabs.peaks (1.68, 0.26, 24.15 ppm; 3.44 A): 1 out of 5 assignments used, quality = 1.00: HB3 LYS 53 + QD2 LEU 3 OK 100 100 100 100 1.9-2.0 1.8/8115=60, 9189=51...(18) HB2 LEU 2 - QD2 LEU 3 far 0 91 0 - 5.4-5.9 HB3 ARG 79 - QD2 LEU 3 far 0 84 0 - 6.2-8.2 HB ILE 52 - QD2 LEU 3 far 0 99 0 - 6.6-7.4 HB ILE 76 - QD2 LEU 3 far 0 65 0 - 9.9-10.9 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 3.2-3.3 9186=99, 1.8/8114=85...(22) HB VAL 5 - QD2 LEU 3 far 0 82 0 - 7.1-7.5 HB2 GLU 104 - QD2 LEU 3 far 0 85 0 - 7.2-13.2 HB3 GLU 104 - QD2 LEU 3 far 0 65 0 - 8.5-14.2 HB ILE 93 - QD2 LEU 3 far 0 75 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 8116 from cnoeabs.peaks (1.99, 1.30, 27.70 ppm; 5.11 A): 1 out of 2 assignments used, quality = 0.98: QE MET 1 + HG LEU 3 OK 98 98 100 100 3.4-4.4 8101/2.1=94, 8025/2.1=82...(19) HB3 MET 1 - HG LEU 3 far 0 97 0 - 5.5-5.8 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 2 assignments used, quality = 1.00: HG2 MET 1 + HG LEU 3 OK 100 100 100 100 3.1-3.7 8015=98, 8017/2.1=88...(22) HG2 GLU 99 - HG LEU 3 far 0 79 0 - 7.6-10.8 Violated in 0 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 3.6-3.9 8114/2.1=79...(15) HB ILE 52 - HG LEU 3 far 0 99 0 - 6.8-7.8 HB3 ARG 79 - HG LEU 3 far 0 100 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 8123 from cnoeabs.peaks (7.81, 5.14, 56.58 ppm; 4.39 A): 1 out of 4 assignments used, quality = 0.99: H GLU 28 + HA TYR 4 OK 99 99 100 100 3.3-3.5 8655=90, 6456/8135=55...(12) H LEU 3 - HA TYR 4 far 0 65 0 - 4.8-4.9 HE ARG 30 - HA TYR 4 far 0 93 0 - 6.2-10.3 H ASN 26 - HA TYR 4 far 0 73 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 8126 from cnoeabs.peaks (8.36, 6.45, 118.10 ppm; 5.86 A): 1 out of 1 assignment used, quality = 1.00: H TYR 4 + QE TYR 4 OK 100 100 100 100 4.9-5.3 6042/2.2=100...(8) 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 = 0.99: HZ PHE 45 + HB3 TYR 4 OK 99 100 100 100 3.2-3.9 2.2/12076=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 99 4.6-4.7 5.7=81, ~6042=63...(8) HA LEU 3 + QE TYR 4 OK 90 93 100 97 4.6-5.0 3.6/8126=54, 8062=40...(12) HA VAL 54 - QE TYR 4 far 0 97 0 - 6.2-6.8 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 3 assignments used, quality = 1.00: HB3 TYR 4 + QE TYR 4 OK 99 99 100 100 4.4-4.4 4.4=100 HG3 GLU 48 + QE TYR 4 OK 71 87 85 96 3.5-5.7 9043/8158=56...(11) HG3 MET 1 - QE TYR 4 far 0 68 0 - 7.6-8.9 Violated in 0 structures by 0.00 A. Peak 8130 from cnoeabs.peaks (2.29, 6.45, 118.10 ppm; 5.23 A): 2 out of 3 assignments used, quality = 1.00: HB2 TYR 4 + QE TYR 4 OK 100 100 100 100 4.4-4.5 4.4=100 HB2 GLU 48 + QE TYR 4 OK 92 98 95 98 4.2-6.4 9040/8159=61...(14) HB2 TYR 41 - QE TYR 4 far 0 83 0 - 6.6-7.4 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: HG3 GLU 28 + QE TYR 4 OK 99 100 100 99 2.7-4.3 3.0/8653=43, 3.0/8652=41...(17) HG2 GLU 28 + QE TYR 4 OK 98 100 100 99 2.5-4.3 3.0/8653=43, 3.0/8652=41...(17) HB3 GLU 48 + QE TYR 4 OK 94 98 100 96 3.8-5.6 9041/14597=65...(12) HB2 GLN 50 - QE TYR 4 far 0 67 0 - 9.7-10.6 HB3 GLU 43 - QE TYR 4 far 0 99 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 8132 from cnoeabs.peaks (2.06, 6.43, 132.25 ppm; 6.24 A): 3 out of 5 assignments used, quality = 1.00: HG2 GLU 28 + QD TYR 4 OK 100 100 100 100 4.0-5.1 3.7/14579=64...(19) HG3 GLU 28 + QD TYR 4 OK 100 100 100 100 4.1-5.3 3.7/14579=64...(19) HB3 GLU 48 + QD TYR 4 OK 89 96 95 98 4.8-6.8 9041/14577=48, ~8130=37...(12) HG12 ILE 93 - QD TYR 4 far 0 84 0 - 9.0-9.8 HB3 GLU 43 - QD TYR 4 far 0 100 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 8135 from cnoeabs.peaks (1.55, 5.14, 56.58 ppm; 4.16 A): 1 out of 9 assignments used, quality = 0.95: HB3 GLU 28 + HA TYR 4 OK 95 96 100 99 3.7-4.1 8657=77, 1.8/8656=71...(10) HB2 LEU 3 - HA TYR 4 far 0 100 0 - 4.7-4.9 HG LEU 6 - HA TYR 4 far 0 90 0 - 6.1-6.3 HG3 ARG 30 - HA TYR 4 far 0 95 0 - 6.7-8.8 HD3 LYS 53 - HA TYR 4 far 0 100 0 - 8.9-9.7 HG12 ILE 56 - HA TYR 4 far 0 96 0 - 8.9-9.3 HG LEU 2 - HA TYR 4 far 0 73 0 - 9.2-9.4 HB ILE 7 - HA TYR 4 far 0 85 0 - 9.6-10.0 HG3 ARG 79 - HA TYR 4 far 0 98 0 - 9.7-12.9 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 = 0.97: HB VAL 5 + HA TYR 4 OK 97 98 100 99 4.5-4.6 6053/146=88, 2.1/8140=88...(5) HB VAL 54 - HA TYR 4 far 0 65 0 - 6.8-7.5 HB2 LYS 53 - HA TYR 4 far 0 99 0 - 7.4-8.1 Violated in 0 structures by 0.00 A. Peak 8139 from cnoeabs.peaks (1.44, 5.14, 56.58 ppm; 5.11 A): 1 out of 7 assignments used, quality = 0.89: HB2 LEU 27 + HA TYR 4 OK 89 95 100 94 4.1-5.3 4.4/8123=63...(6) QB ALA 22 - HA TYR 4 far 0 100 0 - 5.5-6.1 HG13 ILE 52 - HA TYR 4 far 0 95 0 - 5.7-6.5 HG LEU 29 - HA TYR 4 far 0 100 0 - 6.1-6.9 HG3 LYS 53 - HA TYR 4 far 0 81 0 - 7.9-8.6 HG2 LYS 53 - HA TYR 4 far 0 88 0 - 8.6-9.3 HD2 LYS 53 - HA TYR 4 far 0 93 0 - 8.8-10.5 Violated in 2 structures by 0.01 A. Peak 8140 from cnoeabs.peaks (0.95, 5.14, 56.58 ppm; 4.47 A): 1 out of 2 assignments used, quality = 0.97: QG2 VAL 5 + HA TYR 4 OK 97 100 100 98 3.1-3.5 6055/146=77, 2.1/8136=60...(7) HG LEU 55 - HA TYR 4 far 0 98 0 - 8.1-8.8 Violated in 0 structures by 0.00 A. Peak 8141 from cnoeabs.peaks (0.75, 5.14, 56.58 ppm; 4.84 A increased from 4.56 A): 3 out of 13 assignments used, quality = 1.00: QG1 VAL 54 + HA TYR 4 OK 98 98 100 100 4.5-5.1 8147/3.0=78, 8144/3.0=76...(20) QD1 LEU 27 + HA TYR 4 OK 89 92 100 97 4.1-4.9 3.1/8139=60, 4.7/8123=54...(8) QD2 LEU 27 + HA TYR 4 OK 84 93 95 96 4.1-5.2 3.1/8139=60, 4.7/8123=54...(7) QG1 VAL 5 - HA TYR 4 far 0 90 0 - 5.4-5.4 QG2 ILE 93 - HA TYR 4 far 0 100 0 - 5.9-6.9 QD1 LEU 6 - HA TYR 4 far 0 90 0 - 6.5-7.0 QG2 ILE 52 - HA TYR 4 far 0 77 0 - 7.1-7.6 QD1 ILE 93 - HA TYR 4 far 0 91 0 - 7.6-8.7 QG1 VAL 78 - HA TYR 4 far 0 100 0 - 7.6-8.3 QD2 LEU 42 - HA TYR 4 far 0 94 0 - 8.1-8.4 HG13 ILE 93 - HA TYR 4 far 0 100 0 - 8.4-10.0 HG13 ILE 56 - HA TYR 4 far 0 70 0 - 9.1-9.4 QG2 VAL 78 - HA TYR 4 far 0 82 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 8142 from cnoeabs.peaks (0.65, 5.14, 56.58 ppm; 5.54 A): 1 out of 4 assignments used, quality = 1.00: QG2 VAL 54 + HA TYR 4 OK 100 100 100 100 4.4-5.2 9239/3.0=94, 9238/3.0=89...(19) QD1 LEU 29 - HA TYR 4 far 0 100 0 - 5.9-6.6 QD2 LEU 6 - HA TYR 4 far 0 68 0 - 6.3-6.7 QD2 LEU 29 - HA TYR 4 far 0 99 0 - 6.7-7.2 Violated in 0 structures by 0.00 A. Peak 8143 from cnoeabs.peaks (1.54, 2.29, 43.84 ppm; 5.52 A): 2 out of 9 assignments used, quality = 0.99: HG LEU 6 + HB2 TYR 4 OK 97 98 100 99 4.8-5.4 8187/6048=60, ~8213=52...(13) HB3 GLU 28 + HB2 TYR 4 OK 59 84 70 100 5.4-6.0 8135/3.0=88, ~8656=66...(16) HB2 LEU 3 - HB2 TYR 4 far 0 96 0 - 6.3-6.5 HG12 ILE 56 - HB2 TYR 4 far 0 100 0 - 7.0-7.7 HG3 ARG 30 - HB2 TYR 4 far 0 100 0 - 7.1-9.2 HD3 LYS 53 - HB2 TYR 4 far 0 96 0 - 8.0-9.0 HG LEU 2 - HB2 TYR 4 far 0 90 0 - 8.5-9.2 HG3 ARG 79 - HB2 TYR 4 far 0 100 0 - 8.7-11.8 HG2 ARG 79 - HB2 TYR 4 far 0 100 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 8144 from cnoeabs.peaks (0.76, 2.29, 43.84 ppm; 4.07 A): 1 out of 12 assignments used, quality = 1.00: QG1 VAL 54 + HB2 TYR 4 OK 100 100 100 100 2.8-3.4 9246=80, 2.1/9239=76...(23) QG2 ILE 52 - HB2 TYR 4 far 0 92 0 - 4.8-5.6 QD1 LEU 6 - HB2 TYR 4 far 0 98 0 - 4.8-5.5 QG1 VAL 78 - HB2 TYR 4 far 0 98 0 - 5.3-6.0 QD2 LEU 42 - HB2 TYR 4 far 0 99 0 - 5.7-6.1 QD1 LEU 27 - HB2 TYR 4 far 0 99 0 - 6.1-6.9 QG1 VAL 5 - HB2 TYR 4 far 0 73 0 - 6.1-6.3 QD2 LEU 27 - HB2 TYR 4 far 0 79 0 - 6.2-7.2 QG2 VAL 78 - HB2 TYR 4 far 0 63 0 - 7.3-8.1 QD2 LEU 57 - HB2 TYR 4 far 0 63 0 - 7.6-9.0 QG2 ILE 93 - HB2 TYR 4 far 0 99 0 - 8.0-8.9 QD1 ILE 93 - HB2 TYR 4 far 0 99 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 8145 from cnoeabs.peaks (0.67, 2.29, 43.84 ppm; 4.05 A): 2 out of 6 assignments used, quality = 0.99: QG2 VAL 54 + HB2 TYR 4 OK 98 98 100 100 1.9-2.5 9239=97, 2.1/8144=71...(22) QD1 ILE 52 + HB2 TYR 4 OK 71 81 95 93 3.0-4.6 8159/4.4=36...(14) QD2 LEU 6 - HB2 TYR 4 far 0 92 0 - 5.7-6.2 QD1 LEU 29 - HB2 TYR 4 far 0 98 0 - 7.5-8.3 QD2 LEU 29 - HB2 TYR 4 far 0 87 0 - 8.1-8.7 QD1 LEU 42 - HB2 TYR 4 far 0 90 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 8146 from cnoeabs.peaks (1.53, 2.46, 43.84 ppm; 5.71 A): 3 out of 9 assignments used, quality = 1.00: HG LEU 6 + HB3 TYR 4 OK 100 100 100 100 3.9-4.3 ~8213=55, 8187/6049=54...(12) HB3 GLU 28 + HB3 TYR 4 OK 65 65 100 100 4.6-5.2 8135/3.0=77, ~8656=70...(16) HG3 ARG 30 + HB3 TYR 4 OK 60 100 70 86 5.7-7.6 14574/2.5=40, ~8702=37...(7) HB2 LEU 3 - HB3 TYR 4 far 0 84 0 - 6.9-7.1 HG12 ILE 56 - HB3 TYR 4 far 0 100 0 - 7.3-7.9 HB ILE 7 - HB3 TYR 4 far 0 100 0 - 9.2-9.7 HG3 ARG 79 - HB3 TYR 4 far 0 99 0 - 9.3-12.8 HD3 LYS 53 - HB3 TYR 4 far 0 85 0 - 9.5-10.5 HG LEU 2 - HB3 TYR 4 far 0 98 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 8147 from cnoeabs.peaks (0.75, 2.46, 43.84 ppm; 4.07 A): 1 out of 13 assignments used, quality = 0.99: QG1 VAL 54 + HB3 TYR 4 OK 99 99 100 100 2.9-3.7 8144/1.8=75, 2.1/9238=64...(24) QD1 LEU 6 - HB3 TYR 4 far 0 95 0 - 4.5-5.0 QG1 VAL 5 - HB3 TYR 4 far 0 82 0 - 5.6-5.7 QD1 LEU 27 - HB3 TYR 4 far 0 96 0 - 6.1-6.9 QG2 ILE 52 - HB3 TYR 4 far 0 85 0 - 6.2-6.9 QD2 LEU 42 - HB3 TYR 4 far 0 98 0 - 6.2-6.6 QD2 LEU 27 - HB3 TYR 4 far 0 87 0 - 6.2-7.3 QG1 VAL 78 - HB3 TYR 4 far 0 99 0 - 6.2-6.9 HG13 ILE 56 - HB3 TYR 4 far 0 59 0 - 7.3-7.8 QG2 ILE 93 - HB3 TYR 4 far 0 100 0 - 7.5-8.4 QG2 VAL 78 - HB3 TYR 4 far 0 73 0 - 7.9-8.9 QD1 ILE 93 - HB3 TYR 4 far 0 96 0 - 8.5-9.6 HG13 ILE 93 - HB3 TYR 4 far 0 99 0 - 9.5-11.0 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 2.7-3.7 9238=84, 9239/1.8=81...(23) QD1 ILE 52 + HB3 TYR 4 OK 23 81 30 94 4.1-5.4 8159/4.4=37, 8145/1.8=33...(15) QD2 LEU 6 - HB3 TYR 4 far 0 92 0 - 4.7-5.1 QD1 LEU 29 - HB3 TYR 4 far 0 98 0 - 6.5-7.2 QD2 LEU 29 - HB3 TYR 4 far 0 87 0 - 6.7-7.4 QD1 LEU 42 - HB3 TYR 4 far 0 90 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 8149 from cnoeabs.peaks (1.71, 6.43, 132.25 ppm; 5.97 A): 4 out of 6 assignments used, quality = 1.00: HB2 LEU 2 + QD TYR 4 OK 100 100 100 100 3.5-4.1 3.1/14599=72, ~8158=71...(28) HB3 LYS 53 + QD TYR 4 OK 86 91 100 95 4.7-5.9 8138/6042=78...(7) HB2 GLU 28 + QD TYR 4 OK 65 65 100 100 2.1-2.6 3.0/14579=64...(19) HB ILE 52 + QD TYR 4 OK 65 65 100 100 4.4-5.2 ~8159=66, ~14597=66...(27) HD3 LYS 47 - QD TYR 4 far 0 85 0 - 8.6-11.0 HD2 LYS 47 - QD TYR 4 far 0 84 0 - 9.6-11.0 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 5.0-5.6 2.1/8213=74...(12) HG LEU 2 + QD TYR 4 OK 98 98 100 100 6.0-6.6 ~8158=91, 2.1/14599=91...(21) HG3 ARG 30 + QD TYR 4 OK 96 100 100 96 4.4-6.3 1.8/8702=56, ~8702=36...(11) HB2 LEU 3 + QD TYR 4 OK 83 84 100 99 5.0-5.3 4.4/6042=93, 3.0/8062=46...(8) HB3 GLU 28 + QD TYR 4 OK 65 65 100 100 2.8-3.5 8135/3.7=79...(17) HD3 LYS 53 - QD TYR 4 far 0 85 0 - 7.4-8.4 HG12 ILE 56 - QD TYR 4 far 0 100 0 - 8.4-8.9 HG2 LYS 47 - QD TYR 4 far 0 65 0 - 8.5-9.7 HG3 ARG 79 - QD TYR 4 far 0 99 0 - 9.7-12.3 HB ILE 7 - QD TYR 4 far 0 100 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 8151 from cnoeabs.peaks (0.77, 6.43, 132.25 ppm; 5.00 A): 3 out of 12 assignments used, quality = 1.00: QG1 VAL 54 + QD TYR 4 OK 99 99 100 100 4.2-4.8 2.1/9224=94, 8144/2.5=86...(16) QG2 ILE 52 + QD TYR 4 OK 99 99 100 100 4.2-4.7 ~8159=49, ~14597=49...(27) QD2 LEU 2 + QD TYR 4 OK 39 59 65 100 4.7-5.6 14596/2.2=91...(21) QD1 LEU 6 - QD TYR 4 far 0 100 0 - 5.4-5.8 QD1 LEU 27 - QD TYR 4 far 0 100 0 - 5.8-6.6 QG1 VAL 78 - QD TYR 4 far 0 87 0 - 6.1-6.8 QD2 LEU 42 - QD TYR 4 far 0 100 0 - 6.4-6.8 QD1 ILE 76 - QD TYR 4 far 0 75 0 - 7.3-8.1 QG2 ILE 93 - QD TYR 4 far 0 93 0 - 7.5-8.3 QD2 LEU 57 - QD TYR 4 far 0 84 0 - 8.1-9.4 QG2 ILE 7 - QD TYR 4 far 0 79 0 - 8.7-9.2 QD1 ILE 93 - QD TYR 4 far 0 100 0 - 8.8-9.7 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 7 assignments used, quality = 1.00: QG2 VAL 54 + QD TYR 4 OK 95 95 100 100 3.0-3.9 9224=91, 9239/2.5=87...(23) QD1 ILE 52 + QD TYR 4 OK 88 88 100 100 2.2-3.3 8159/2.2=86...(23) QD2 LEU 6 + QD TYR 4 OK 87 96 95 95 5.0-5.6 2.1/8213=49...(11) QD2 LEU 29 - QD TYR 4 far 0 79 0 - 6.5-7.0 QD1 LEU 29 - QD TYR 4 far 0 94 0 - 6.9-7.4 QD1 ILE 56 - QD TYR 4 far 0 65 0 - 8.0-8.5 QD1 LEU 42 - QD TYR 4 far 0 95 0 - 8.5-9.0 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 2.6-3.4 3.1/8158=69, 1.8/8155=58...(22) HB ILE 52 + QE TYR 4 OK 82 83 100 100 4.1-4.7 3.2/8159=61, 3.0/8156=41...(21) HB3 LYS 53 - QE TYR 4 far 0 98 0 - 6.5-7.8 HD3 LYS 47 - QE TYR 4 far 0 95 0 - 7.5-10.2 HD2 LYS 47 - QE TYR 4 far 0 95 0 - 8.5-9.9 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 7 assignments used, quality = 0.99: HG LEU 2 + QE TYR 4 OK 97 97 100 100 4.7-5.3 2.1/8158=93, 2.1/8157=77...(18) HB3 GLU 28 + QE TYR 4 OK 64 64 100 99 2.4-3.2 1.8/8652=45, 8135/5.7=39...(17) HG3 ARG 30 - QE TYR 4 far 10 100 10 - 5.2-6.9 HB2 LEU 3 - QE TYR 4 far 0 83 0 - 5.8-6.2 HG LEU 6 - QE TYR 4 far 0 100 0 - 7.0-7.6 HG2 LYS 47 - QE TYR 4 far 0 64 0 - 7.5-8.9 HD3 LYS 53 - QE TYR 4 far 0 84 0 - 8.9-10.0 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 2.2-2.6 3.1/8158=79, 3.1/8157=63...(18) HG2 ARG 30 - QE TYR 4 poor 17 68 30 82 4.9-5.6 ~14574=25, ~8708=24...(11) HB3 LEU 27 - QE TYR 4 far 0 95 0 - 6.2-6.9 HG LEU 3 - QE TYR 4 far 0 78 0 - 6.2-6.7 QB ALA 25 - QE TYR 4 far 0 98 0 - 9.0-9.5 HB3 LEU 42 - QE TYR 4 far 0 84 0 - 9.7-10.5 HG3 LYS 40 - QE TYR 4 far 0 74 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 8156 from cnoeabs.peaks (1.02, 6.45, 118.10 ppm; 5.80 A): 1 out of 2 assignments used, quality = 0.94: HG12 ILE 52 + QE TYR 4 OK 94 94 100 100 3.1-4.2 2.1/8159=98, ~14698=51...(20) HB3 LEU 55 - QE TYR 4 far 0 100 0 - 9.4-10.0 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 3.0-4.5 2.1/8158=93, 8042=74...(22) QG2 ILE 76 - QE TYR 4 far 0 100 0 - 6.9-7.6 QD1 LEU 38 - QE TYR 4 far 0 83 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 8158 from cnoeabs.peaks (0.78, 6.45, 118.10 ppm; 4.02 A): 1 out of 10 assignments used, quality = 0.77: QD2 LEU 2 + QE TYR 4 OK 77 78 100 99 2.9-4.1 8041=68, 2.1/8157=50...(19) QG2 ILE 52 - QE TYR 4 far 0 100 0 - 4.6-5.1 QG1 VAL 54 - QE TYR 4 far 0 93 0 - 5.8-6.4 QD1 LEU 6 - QE TYR 4 far 0 99 0 - 6.7-7.2 QD1 LEU 27 - QE TYR 4 far 0 98 0 - 6.9-7.6 QD2 LEU 42 - QE TYR 4 far 0 97 0 - 7.4-8.0 QG1 VAL 78 - QE TYR 4 far 0 68 0 - 7.5-8.2 QD1 ILE 76 - QE TYR 4 far 0 90 0 - 7.8-8.8 QG2 ILE 93 - QE TYR 4 far 0 78 0 - 8.8-9.6 QD2 LEU 57 - QE TYR 4 far 0 95 0 - 9.9-11.2 Violated in 3 structures by 0.01 A. Peak 8159 from cnoeabs.peaks (0.68, 6.45, 118.10 ppm; 4.42 A): 1 out of 8 assignments used, quality = 0.97: QD1 ILE 52 + QE TYR 4 OK 97 97 100 100 1.9-2.7 9148=48, 10640/8157=44...(24) QG2 VAL 54 - QE TYR 4 poor 16 81 20 - 4.5-5.3 QD2 LEU 6 - QE TYR 4 far 0 99 0 - 6.4-7.1 QD2 LEU 29 - QE TYR 4 far 0 58 0 - 7.8-8.2 QD1 LEU 29 - QE TYR 4 far 0 80 0 - 8.4-8.8 QD1 LEU 42 - QE TYR 4 far 0 99 0 - 9.5-10.1 QD1 ILE 56 - QE TYR 4 far 0 83 0 - 9.5-10.0 QG2 VAL 78 - QE TYR 4 far 0 56 0 - 9.6-10.3 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 1.9-2.1 9295=94, 6909/3.2=59...(18) 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 3.5-4.0 8715=99, 8713/2.1=87...(12) 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 3.7-4.2 8715/2.1=100...(11) H VAL 83 - QG1 VAL 5 far 0 94 0 - 8.4-9.3 H ARG 30 - QG2 VAL 78 far 0 76 0 - 10.0-10.7 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 = 0.90: H ILE 56 + QG1 VAL 5 OK 79 79 100 100 4.7-5.3 4.5/9248=57...(11) H ILE 56 + QG2 VAL 78 OK 52 53 100 99 4.0-4.3 9697/4.3=53, 9300/3.2=47...(12) 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 4.7-5.3 6450/8634=69...(6) HE ARG 30 - QG2 VAL 5 far 0 100 0 - 7.5-10.2 H GLU 99 - QG2 VAL 5 far 0 100 0 - 7.8-8.9 H LYS 20 - QG2 VAL 5 far 0 100 0 - 8.6-9.2 H VAL 78 - QG2 VAL 5 far 0 70 0 - 9.6-10.1 Violated in 3 structures by 0.01 A. Peak 8169 from cnoeabs.peaks (7.04, 0.95, 22.19 ppm; 3.74 A): 1 out of 3 assignments used, quality = 0.97: QD PHE 96 + QG2 VAL 5 OK 97 100 100 97 2.6-3.2 2.2/8170=65, 8171/2.1=29...(18) HZ PHE 96 - QG2 VAL 5 far 0 79 0 - 4.1-5.1 HZ3 TRP 92 - QG2 VAL 5 far 0 77 0 - 8.4-9.7 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 = 0.97: QE PHE 96 + QG2 VAL 5 OK 97 99 100 98 2.8-3.6 2.2/8169=71...(18) Violated in 0 structures by 0.00 A. Peak 8171 from cnoeabs.peaks (7.03, 0.73, 20.80 ppm; 5.66 A): 1 out of 6 assignments used, quality = 1.00: QD PHE 96 + QG1 VAL 5 OK 100 100 100 100 4.5-5.1 8169/2.1=100...(18) HZ PHE 96 - QG1 VAL 5 far 7 70 10 - 5.9-6.7 HZ PHE 96 - QG2 VAL 78 far 0 45 0 - 6.3-7.5 QD PHE 96 - QG2 VAL 78 far 0 76 0 - 7.5-8.2 HZ3 TRP 92 - QG1 VAL 5 far 0 68 0 - 8.4-9.5 HZ3 TRP 92 - QG2 VAL 78 far 0 44 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 8173 from cnoeabs.peaks (5.66, 1.86, 33.82 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: HA LEU 29 + HB VAL 5 OK 100 100 100 100 2.3-2.9 8668=91, 8667/2.1=59...(19) 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 1 assignment used, quality = 1.00: HA LEU 29 + QG1 VAL 5 OK 100 100 100 100 3.7-4.2 8667=99, 8173/2.1=86...(16) Violated in 0 structures by 0.00 A. Peak 8175 from cnoeabs.peaks (5.66, 0.95, 22.19 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: HA LEU 29 + QG2 VAL 5 OK 100 100 100 100 3.6-4.0 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 2.9-3.6 3.2/10322=79, 10008=65...(11) 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 3.4-4.3 2.4/8169=100...(16) HB2 TRP 92 + QG2 VAL 5 OK 20 100 25 81 5.7-6.7 9987/2549=35...(8) HD3 ARG 79 - QG2 VAL 5 far 4 77 5 - 5.0-9.1 HD2 ARG 79 - QG2 VAL 5 far 4 73 5 - 6.0-9.5 HD3 ARG 30 - QG2 VAL 5 far 0 92 0 - 7.5-9.4 HB3 ASN 26 - QG2 VAL 5 far 0 63 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 8178 from cnoeabs.peaks (5.46, 0.73, 20.80 ppm; 5.14 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 6 + QG1 VAL 5 OK 100 100 100 100 3.4-3.8 2.9/178=92, ~6059=52...(17) HA LEU 6 - QG2 VAL 78 far 0 76 0 - 8.3-8.9 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 3 assignments used, quality = 0.68: HA THR 80 + QG2 VAL 78 OK 68 70 100 97 4.1-4.7 2.9/9715=86, ~10288=51...(7) HA THR 80 - QG1 VAL 5 far 0 97 0 - 6.7-7.1 HA ILE 52 - QG2 VAL 78 far 0 74 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. Peak 8180 from cnoeabs.peaks (4.68, 0.73, 20.80 ppm; 4.90 A): 3 out of 7 assignments used, quality = 1.00: HA LEU 55 + QG1 VAL 5 OK 99 99 100 100 4.2-4.8 4.0/8195=74...(21) HA LEU 55 + QG2 VAL 78 OK 66 73 100 91 4.7-5.2 11117/4.3=66...(6) HA ARG 79 + QG2 VAL 78 OK 48 48 100 100 3.5-3.9 3.6/9715=68, ~7285=56...(13) HA LEU 27 - QG1 VAL 5 far 0 81 0 - 7.4-8.0 HA ARG 79 - QG1 VAL 5 far 0 73 0 - 8.1-8.9 HA LYS 82 - QG1 VAL 5 far 0 91 0 - 8.8-9.3 HA LYS 82 - QG2 VAL 78 far 0 63 0 - 9.5-10.2 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 2 assignments used, quality = 0.71: HA ASP 77 + QG2 VAL 78 OK 71 72 100 100 4.0-4.4 7274/4.0=82, 9682/2.1=50...(10) HA PHE 45 - QG2 VAL 78 far 0 41 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 8182 from cnoeabs.peaks (3.81, 0.73, 20.80 ppm; 4.17 A): 2 out of 8 assignments used, quality = 0.86: HA LYS 68 + QG2 VAL 78 OK 71 73 100 97 2.7-3.3 8509=74, 9687/2.1=34...(12) HA ALA 71 + QG2 VAL 78 OK 51 51 100 100 3.9-4.3 ~10210=55, ~9685=49...(13) HA ALA 22 - QG1 VAL 5 far 0 99 0 - 4.8-5.7 HA ALA 67 - QG2 VAL 78 far 0 40 0 - 5.2-5.4 HA ARG 19 - QG1 VAL 5 far 0 100 0 - 5.4-6.5 HA SER 97 - QG1 VAL 5 far 0 100 0 - 7.4-8.2 HB3 SER 102 - QG2 VAL 78 far 0 75 0 - 9.4-16.0 HA ALA 67 - QG1 VAL 5 far 0 61 0 - 9.8-10.5 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 2.5-4.1 6908/9295=62, 9249=62...(27) HG12 ILE 52 - HA VAL 5 far 0 95 0 - 7.5-8.5 HB3 ARG 81 - HA VAL 5 far 0 71 0 - 8.4-9.1 QG1 VAL 83 - HA VAL 5 far 0 97 0 - 8.7-9.7 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 2.4-3.0 2.9/8173=72, 3.1/8192=71...(25) HB2 LEU 6 - HB VAL 5 far 0 75 0 - 6.1-6.4 QG2 THR 31 - HB VAL 5 far 0 99 0 - 6.7-7.1 HB3 LEU 3 - HB VAL 5 far 0 100 0 - 6.8-7.1 Violated in 0 structures by 0.00 A. Peak 8192 from cnoeabs.peaks (0.65, 1.86, 33.82 ppm; 3.74 A): 1 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...(23) QD2 LEU 29 - HB VAL 5 far 10 100 10 - 4.0-4.7 QD1 ILE 7 - HB VAL 5 far 0 84 0 - 6.4-7.8 QG2 VAL 54 - HB VAL 5 far 0 99 0 - 6.6-7.2 Violated in 0 structures by 0.00 A. Peak 8193 from cnoeabs.peaks (0.64, 5.11, 59.85 ppm; 5.14 A increased from 4.33 A): 2 out of 5 assignments used, quality = 1.00: QD1 LEU 29 + HA VAL 5 OK 98 98 100 100 4.7-5.3 8192/3.0=89...(22) QG2 VAL 54 + HA VAL 5 OK 97 97 100 100 4.7-5.3 2.1/12127=95...(8) QD2 LEU 29 - HA VAL 5 far 0 100 0 - 5.8-6.7 QD1 ILE 7 - HA VAL 5 far 0 92 0 - 7.4-8.2 QG2 VAL 58 - HA VAL 5 far 0 68 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 8194 from cnoeabs.peaks (1.17, 0.73, 20.80 ppm; 4.10 A): 2 out of 8 assignments used, quality = 0.99: HB2 LEU 29 + QG1 VAL 5 OK 97 97 100 100 3.5-4.2 2.9/8667=56, 8669/2.1=50...(22) HB2 LEU 6 + QG1 VAL 5 OK 71 100 75 95 4.3-4.8 6064/178=55, 8220/3.2=50...(13) HB2 LEU 57 - QG1 VAL 5 far 0 90 0 - 4.9-5.3 QG2 THR 31 - QG1 VAL 5 far 0 71 0 - 5.4-5.9 HB2 LEU 6 - QG2 VAL 78 far 0 75 0 - 5.8-6.4 HB3 LEU 3 - QG1 VAL 5 far 0 87 0 - 6.6-6.8 HB2 LEU 57 - QG2 VAL 78 far 0 62 0 - 9.5-9.8 HB3 LEU 3 - QG2 VAL 78 far 0 59 0 - 9.8-10.7 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 96 100 100 1.9-3.0 9270=50, 2.1/177=38...(26) QD2 LEU 55 - QG2 VAL 78 far 0 68 0 - 7.1-7.6 QD1 LEU 3 - QG1 VAL 5 far 0 79 0 - 7.3-7.7 QD1 LEU 3 - QG2 VAL 78 far 0 53 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 8196 from cnoeabs.peaks (-0.63, 0.73, 20.80 ppm; 5.24 A): 1 out of 2 assignments used, quality = 1.00: HB2 LEU 55 + QG1 VAL 5 OK 100 100 100 100 2.0-4.0 8198/2.1=94, 3.1/8195=92...(22) HB2 LEU 55 - QG2 VAL 78 far 0 76 0 - 6.6-7.5 Violated in 0 structures by 0.00 A. Peak 8197 from cnoeabs.peaks (0.45, 0.95, 22.19 ppm; 4.41 A increased from 3.71 A): 1 out of 3 assignments used, quality = 0.96: QD1 LEU 55 + QG2 VAL 5 OK 96 96 100 100 4.2-4.2 3.1/8198=64, ~8195=60...(24) QD1 LEU 3 - QG2 VAL 5 far 0 98 0 - 5.3-5.5 HG2 ARG 81 - QG2 VAL 5 far 0 88 0 - 7.5-9.4 Violated in 0 structures by 0.00 A. Peak 8198 from cnoeabs.peaks (-0.64, 0.95, 22.19 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: HB2 LEU 55 + QG2 VAL 5 OK 100 100 100 100 1.9-3.2 3.1/8197=58...(22) Violated in 0 structures by 0.00 A. Peak 8200 from cnoeabs.peaks (9.09, 5.47, 52.09 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: H ARG 30 + HA LEU 6 OK 100 100 100 100 2.7-3.0 8698=100, 6475/6072=64...(13) 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 4.9-5.2 9333/2.9=96...(10) H VAL 5 + HA LEU 6 OK 98 98 100 100 4.6-4.8 10505/8698=87...(15) H ARG 19 - HA LEU 6 far 0 77 0 - 8.7-9.6 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 4.0-4.3 8203/1.8=91...(11) H VAL 5 + HB2 LEU 6 OK 98 98 100 100 5.6-5.8 3.0/8220=91, 8187/3.0=90...(12) Violated in 0 structures by 0.00 A. Peak 8203 from cnoeabs.peaks (8.93, 1.65, 44.10 ppm; 5.45 A): 1 out of 2 assignments used, quality = 1.00: H LEU 57 + HB3 LEU 6 OK 100 100 100 100 4.4-4.6 6932/10672=89...(9) H VAL 5 - HB3 LEU 6 far 0 98 0 - 6.4-6.6 Violated in 0 structures by 0.00 A. Peak 8204 from cnoeabs.peaks (8.92, 0.69, 24.21 ppm; 5.43 A): 1 out of 5 assignments used, quality = 1.00: H VAL 5 + QD2 LEU 6 OK 100 100 100 100 4.4-5.0 8187/2.1=94...(14) H LEU 57 - QD2 LEU 6 far 0 100 0 - 5.8-6.0 H ARG 19 - QD2 LEU 14 far 0 56 0 - 6.1-6.5 H LEU 57 - QD2 LEU 14 far 0 72 0 - 6.4-6.9 H ARG 19 - QD2 LEU 6 far 0 87 0 - 9.0-9.7 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 3 assignments used, quality = 1.00: QE PHE 45 + HG LEU 6 OK 100 100 100 100 2.3-3.0 8212/2.1=93, 8208/2.1=92...(19) QE PHE 45 - HG LEU 2 far 0 87 0 - 9.4-10.2 QE PHE 45 - HG3 ARG 79 far 0 81 0 - 9.6-12.9 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 3 assignments used, quality = 1.00: QD TYR 41 + QD2 LEU 6 OK 100 100 100 100 2.0-2.6 8210/2.1=59, 2.5/8874=56...(23) QE TYR 41 + QD2 LEU 6 OK 85 87 100 98 3.1-3.4 2.2/14618=47, 8911=39...(20) HD1 TRP 92 - QD2 LEU 14 far 0 36 0 - 7.1-7.7 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 2.5-3.2 8212/2.1=73, 2.2/8215=72...(17) Violated in 0 structures by 0.00 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 far 0 93 0 - 5.0-5.6 QE TYR 4 - QD2 LEU 6 far 0 100 0 - 6.4-7.1 Violated in 20 structures by 0.97 A. Peak 8210 from cnoeabs.peaks (6.83, 0.77, 25.58 ppm; 4.22 A): 1 out of 4 assignments used, quality = 1.00: QD TYR 41 + QD1 LEU 6 OK 100 100 100 100 2.5-3.3 2.5/8876=69, 2.5/8228=68...(21) QE TYR 41 - QD1 LEU 6 far 4 79 5 - 4.5-4.9 QD TYR 41 - QD2 LEU 57 far 0 68 0 - 8.8-9.8 QE TYR 41 - QD2 LEU 57 far 0 46 0 - 9.4-10.6 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 2.6-3.4 2.2/8212=93, ~8208=64...(10) QD PHE 45 - QD2 LEU 57 far 0 68 0 - 8.8-9.7 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 1.9-2.0 8208/2.1=67, 2.2/8214=53...(16) QE PHE 45 - QD2 LEU 57 far 0 67 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 8213 from cnoeabs.peaks (6.41, 0.77, 25.58 ppm; 5.84 A increased from 5.49 A): 1 out of 4 assignments used, quality = 0.73: QD TYR 4 + QD1 LEU 6 OK 73 85 100 86 5.4-5.8 ~8143=38, ~8146=26...(10) QE TYR 4 - QD1 LEU 6 far 0 63 0 - 6.7-7.2 QD TYR 4 - QD2 LEU 57 far 0 51 0 - 8.1-9.4 QE TYR 4 - QD2 LEU 57 far 0 36 0 - 9.9-11.2 Violated in 0 structures by 0.00 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 3.5-4.1 2.2/8212=88, 8215/2.1=86...(13) HZ PHE 45 - QD2 LEU 57 far 0 67 0 - 9.1-10.3 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 2.8-3.7 2.2/8208=66, 8214/2.1=52...(16) Violated in 0 structures by 0.00 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 4.4-4.4 3.0/6072=96, 3.0/8256=64...(9) HA VAL 5 + HA LEU 6 OK 97 97 100 100 4.4-4.4 6059/2.9=92, 8220/3.0=70...(17) HA VAL 54 - HA LEU 6 far 0 59 0 - 6.8-7.3 HA TYR 4 - HA LEU 6 far 0 88 0 - 7.0-7.3 Violated in 0 structures by 0.00 A. Peak 8219 from cnoeabs.peaks (4.89, 5.47, 52.09 ppm; 4.54 A): 3 out of 3 assignments used, quality = 1.00: HA ILE 56 + HA LEU 6 OK 98 99 100 100 4.5-4.7 8216/2.9=78, 8223/3.0=63...(15) HA THR 31 + HA LEU 6 OK 98 100 100 98 3.7-4.2 8251/6072=84...(6) HA ARG 30 + HA LEU 6 OK 53 92 60 97 4.7-4.9 3.0/8698=77, 3.0/8234=59...(5) Violated in 0 structures by 0.00 A. Peak 8220 from cnoeabs.peaks (5.13, 1.18, 44.10 ppm; 4.54 A): 1 out of 4 assignments used, quality = 0.92: HA VAL 5 + HB2 LEU 6 OK 92 93 100 99 4.2-4.4 6059/6064=70...(15) HA ILE 7 - HB2 LEU 6 far 0 100 0 - 5.1-5.2 HA VAL 54 - HB2 LEU 6 far 0 70 0 - 5.5-6.0 HA TYR 4 - HB2 LEU 6 far 0 94 0 - 7.6-7.9 Violated in 0 structures by 0.00 A. Peak 8221 from cnoeabs.peaks (4.88, 1.18, 44.10 ppm; 4.67 A): 1 out of 3 assignments used, quality = 1.00: HA ILE 56 + HB2 LEU 6 OK 100 100 100 100 2.5-2.7 8223/1.8=82, 3.2/8235=67...(13) HA THR 31 - HB2 LEU 6 far 0 99 0 - 6.0-6.5 HA ARG 30 - HB2 LEU 6 far 0 77 0 - 7.5-7.6 Violated in 0 structures by 0.00 A. Peak 8222 from cnoeabs.peaks (5.11, 1.65, 44.10 ppm; 5.24 A): 1 out of 3 assignments used, quality = 0.90: HA ILE 7 + HB3 LEU 6 OK 90 90 100 100 4.6-4.8 3.0/6074=86...(14) HA VAL 5 - HB3 LEU 6 far 0 100 0 - 5.6-5.7 HA TYR 4 - HB3 LEU 6 far 0 70 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 8223 from cnoeabs.peaks (4.88, 1.65, 44.10 ppm; 4.52 A): 1 out of 3 assignments used, quality = 1.00: HA ILE 56 + HB3 LEU 6 OK 100 100 100 100 3.5-3.8 8221/1.8=75...(11) HA THR 31 - HB3 LEU 6 poor 20 99 20 - 4.6-5.1 HA ARG 30 - HB3 LEU 6 far 0 77 0 - 6.6-6.9 Violated in 0 structures by 0.00 A. Peak 8224 from cnoeabs.peaks (5.13, 1.52, 27.00 ppm; 4.95 A): 2 out of 16 assignments used, quality = 0.94: HA VAL 5 + HG LEU 6 OK 93 93 100 100 4.0-4.4 6059/6066=82...(15) HA VAL 54 + HG LEU 6 OK 22 70 35 89 5.0-5.6 3.2/10209=44...(9) HA VAL 54 - HG3 ARG 79 far 0 49 0 - 6.0-9.1 HA LEU 3 - HG LEU 2 far 0 86 0 - 6.0-6.5 HA TYR 4 - HG LEU 6 far 0 94 0 - 6.1-6.3 HA VAL 5 - HG3 ARG 79 far 0 71 0 - 6.3-10.0 HA ILE 7 - HG LEU 6 far 0 100 0 - 6.7-6.8 HA VAL 54 - HG2 ARG 79 far 0 50 0 - 7.1-9.0 HA VAL 5 - HG2 ARG 79 far 0 72 0 - 7.4-9.7 HA LEU 3 - HG LEU 6 far 0 100 0 - 9.0-9.4 HA TYR 4 - HG LEU 2 far 0 77 0 - 9.2-9.4 HA ILE 7 - HG3 ARG 79 far 0 80 0 - 9.2-13.0 HA LEU 3 - HG3 ARG 79 far 0 81 0 - 9.3-11.5 HA LEU 3 - HG2 ARG 79 far 0 82 0 - 9.6-11.4 HA VAL 54 - HG LEU 2 far 0 54 0 - 9.6-10.7 HA TYR 4 - HG3 ARG 79 far 0 72 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 8226 from cnoeabs.peaks (5.13, 0.77, 25.58 ppm; 5.34 A): 4 out of 11 assignments used, quality = 0.99: HA VAL 5 + QD1 LEU 6 OK 87 87 100 100 4.7-5.2 8220/3.1=80, 6059/4.6=71...(12) HA ILE 7 + QD2 LEU 57 OK 68 68 100 100 3.5-4.7 8272/3.1=88, 8271/3.1=85...(8) HA VAL 54 + QD1 LEU 6 OK 66 79 100 83 4.6-5.4 ~10209=33, ~10207=28...(7) HA VAL 5 + QD2 LEU 57 OK 43 53 100 83 3.8-5.3 ~10695=33, 9261/9269=29...(8) HA VAL 54 - QD2 LEU 57 far 0 46 0 - 6.2-7.1 HA ILE 7 - QD1 LEU 6 far 0 100 0 - 6.3-6.4 HA TYR 4 - QD1 LEU 6 far 0 98 0 - 6.5-7.0 HA TYR 4 - QD2 LEU 57 far 0 63 0 - 7.3-9.0 HA LEU 3 - QD1 LEU 6 far 0 100 0 - 8.4-9.0 HA LEU 3 - QD2 LEU 57 far 0 68 0 - 8.8-10.1 HA SER 85 - QD2 LEU 57 far 0 67 0 - 10.0-10.3 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 8 assignments used, quality = 1.00: HB3 TYR 41 + QD1 LEU 6 OK 100 100 100 100 2.0-2.3 8876=99, 1.8/8228=84...(20) HD2 ARG 30 - QD1 LEU 6 far 0 61 0 - 5.7-7.1 HB VAL 58 - QD2 LEU 57 far 0 36 0 - 6.8-7.4 HD3 ARG 91 - QD2 LEU 57 far 0 49 0 - 6.9-10.5 HG3 MET 74 - QD1 LEU 6 far 0 98 0 - 7.5-10.0 HB VAL 58 - QD1 LEU 6 far 0 63 0 - 8.9-9.4 HB3 TYR 41 - QD2 LEU 57 far 0 68 0 - 9.4-10.5 HB3 ASP 77 - QD1 LEU 6 far 0 100 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 8228 from cnoeabs.peaks (2.31, 0.77, 25.58 ppm; 4.21 A): 1 out of 10 assignments used, quality = 1.00: HB2 TYR 41 + QD1 LEU 6 OK 100 100 100 100 2.3-2.9 8873=92, 1.8/8876=78...(20) HD3 ARG 81 - QD2 LEU 57 far 0 68 0 - 4.8-6.6 HB2 TYR 4 - QD1 LEU 6 far 0 95 0 - 4.8-5.5 HG2 GLU 95 - QD2 LEU 57 far 0 36 0 - 6.2-9.7 HG3 GLU 43 - QD1 LEU 6 far 0 97 0 - 7.1-8.6 HB2 TYR 4 - QD2 LEU 57 far 0 60 0 - 7.6-9.0 HG2 GLU 63 - QD2 LEU 57 far 0 63 0 - 9.3-10.4 HB2 TYR 41 - QD2 LEU 57 far 0 67 0 - 9.5-10.8 HG2 GLU 63 - QD1 LEU 6 far 0 98 0 - 9.7-10.5 HG2 GLU 48 - QD1 LEU 6 far 0 85 0 - 10.0-12.8 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 3 assignments used, quality = 1.00: HB3 TYR 41 + QD2 LEU 6 OK 98 98 100 100 2.7-2.9 8877=97, 1.8/8874=84...(19) HD2 ARG 30 + QD2 LEU 6 OK 75 88 85 100 3.7-4.9 8722=65, 3.0/8720=64...(14) HG3 MET 74 - QD2 LEU 6 far 0 82 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 8230 from cnoeabs.peaks (2.29, 0.69, 24.21 ppm; 4.43 A): 1 out of 7 assignments used, quality = 0.91: HB2 TYR 41 + QD2 LEU 6 OK 91 91 100 100 2.4-2.8 8874=87, 1.8/8877=78...(17) HB2 TYR 4 - QD2 LEU 6 far 0 100 0 - 5.7-6.2 HG2 GLU 37 - QD2 LEU 6 far 0 68 0 - 6.4-7.2 HG3 GLU 16 - QD2 LEU 14 far 0 72 0 - 7.2-8.2 HG2 GLU 63 - QD2 LEU 14 far 0 72 0 - 7.5-9.5 HG3 GLU 43 - QD2 LEU 6 far 0 79 0 - 8.0-9.8 HG2 GLU 63 - QD2 LEU 6 far 0 100 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 8231 from cnoeabs.peaks (2.30, 1.52, 27.00 ppm; 5.95 A): 5 out of 11 assignments used, quality = 1.00: HB2 TYR 4 + HG LEU 6 OK 99 100 100 100 4.8-5.4 8143=60, ~8213=59...(13) HB2 TYR 41 + HG LEU 6 OK 96 96 100 100 3.8-4.3 8230/2.1=99, 8228/2.1=97...(17) HB2 GLU 48 + HG LEU 2 OK 87 87 100 100 3.7-4.7 9038/2.1=95, ~8053=72...(24) HG2 GLU 48 + HG LEU 2 OK 49 52 95 100 5.0-6.4 ~8056=87, ~10432=83...(18) HD3 ARG 81 + HG3 ARG 79 OK 26 78 50 67 3.6-8.1 9253/9251=20, ~9694=17...(8) HD3 ARG 81 - HG2 ARG 79 poor 15 79 30 63 4.9-7.8 9253/9251=26, ~9694=17...(6) HG2 GLU 95 - HG2 ARG 79 far 3 61 5 - 6.0-11.4 HG2 GLU 95 - HG3 ARG 79 far 0 60 0 - 7.2-12.8 HB2 TYR 4 - HG LEU 2 far 0 85 0 - 8.5-9.2 HB2 TYR 4 - HG3 ARG 79 far 0 80 0 - 8.7-11.8 HB2 TYR 4 - HG2 ARG 79 far 0 81 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 8234 from cnoeabs.peaks (1.39, 5.47, 52.09 ppm; 4.79 A): 1 out of 5 assignments used, quality = 0.94: HB3 ARG 30 + HA LEU 6 OK 94 95 100 99 3.3-3.6 6484/8698=68...(10) HG12 ILE 8 - HA LEU 6 far 0 85 0 - 5.3-5.5 HG12 ILE 7 - HA LEU 6 far 0 63 0 - 6.2-6.3 QB ALA 71 - HA LEU 6 far 0 88 0 - 9.0-9.4 HG3 LYS 40 - HA LEU 6 far 0 79 0 - 9.3-10.6 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 3.2-3.4 9326=91, 10672/1.8=90...(15) QD1 ILE 7 - HB2 LEU 6 far 0 87 0 - 7.2-7.8 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 3.2-3.6 10672=100, 9326/1.8=76...(18) QD1 ILE 7 - HB3 LEU 6 far 0 87 0 - 6.3-7.2 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 2.7-2.9 9332=100, 8292/6087=54...(15) H ARG 19 - HA ILE 7 far 0 79 0 - 7.9-8.7 H VAL 5 - HA ILE 7 far 0 99 0 - 8.0-8.3 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 4 assignments used, quality = 1.00: H LEU 57 + HB ILE 7 OK 100 100 100 100 4.8-5.1 9332/3.0=96, 8246/2.9=79...(8) H ARG 19 + HB ILE 7 OK 48 87 55 100 5.5-6.2 8245/2.1=88, 3.6/8276=78...(7) H VAL 5 - HB ILE 7 far 0 100 0 - 7.3-7.8 H ARG 19 - HB2 LEU 14 far 0 74 0 - 8.5-8.8 Violated in 0 structures by 0.00 A. Peak 8244 from cnoeabs.peaks (8.66, 0.80, 16.81 ppm; 5.37 A): 1 out of 4 assignments used, quality = 1.00: H ALA 18 + QG2 ILE 7 OK 100 100 100 100 5.0-5.4 2.9/8283=93...(13) H ASP 11 - QG2 ILE 7 far 0 96 0 - 6.2-6.9 H ASN 10 - QG2 ILE 7 far 0 95 0 - 6.4-6.7 H LEU 55 - QG2 ILE 7 far 0 90 0 - 8.3-8.6 Violated in 1 structures by 0.00 A. Peak 8245 from cnoeabs.peaks (8.92, 0.80, 16.81 ppm; 5.02 A increased from 4.72 A): 1 out of 3 assignments used, quality = 0.86: H ARG 19 + QG2 ILE 7 OK 86 87 100 99 4.5-5.0 3.6/8283=79...(12) H LEU 57 - QG2 ILE 7 far 0 100 0 - 5.3-5.5 H VAL 5 - QG2 ILE 7 far 0 100 0 - 7.1-7.5 Violated in 3 structures by 0.00 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 4.4-4.6 9332/237=77...(7) H ARG 19 - HG12 ILE 7 far 0 93 0 - 6.7-7.2 H VAL 5 - HG12 ILE 7 far 0 100 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 8247 from cnoeabs.peaks (8.68, 1.42, 27.84 ppm; 6.50 A increased from 5.85 A): 1 out of 3 assignments used, quality = 0.87: H ALA 18 + HG12 ILE 7 OK 87 87 100 100 6.0-6.3 ~8278=92, ~8283=73...(12) H ASN 10 - HG12 ILE 7 far 0 61 0 - 8.0-8.5 H ASP 11 - HG12 ILE 7 far 0 100 0 - 8.1-8.9 Violated in 0 structures by 0.00 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 5.3-5.9 6101/6090=86...(6) H LYS 20 - HG12 ILE 7 far 0 93 0 - 9.4-9.9 Violated in 1 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 4.0-5.8 6101/6091=92...(10) H LYS 20 - HG13 ILE 7 far 0 87 0 - 7.7-10.3 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 3 assignments used, quality = 0.91: H LEU 57 + HG13 ILE 7 OK 91 91 100 100 5.3-6.0 8246/1.8=94...(7) H ARG 19 - HG13 ILE 7 far 10 99 10 - 5.1-7.6 H VAL 5 - HG13 ILE 7 far 0 99 0 - 9.5-10.5 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 4.4-4.5 6072/6079=87...(10) Violated in 0 structures by 0.00 A. Peak 8254 from cnoeabs.peaks (4.88, 1.52, 41.02 ppm; 4.55 A increased from 4.28 A): 1 out of 3 assignments used, quality = 0.99: HA THR 31 + HB ILE 7 OK 99 99 100 100 4.4-4.6 8255/2.1=88...(12) HA ILE 56 - HB ILE 7 far 0 100 0 - 6.2-6.3 HA ARG 30 - HB ILE 7 far 0 77 0 - 6.6-7.0 Violated in 1 structures by 0.00 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 2.0-2.2 3.2/8282=63...(12) HA ARG 30 - QG2 ILE 7 far 0 91 0 - 4.9-5.3 HA ILE 56 - QG2 ILE 7 far 0 99 0 - 6.3-6.4 Violated in 0 structures by 0.00 A. Peak 8256 from cnoeabs.peaks (5.46, 0.80, 16.81 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 6 + QG2 ILE 7 OK 99 99 100 100 4.0-4.2 6072/6080=93...(7) 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 3.2-5.1 8328=100, 1.8/8322=90...(18) HA ALA 89 - HG13 ILE 7 far 0 92 0 - 5.9-7.4 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 3.1-4.5 8322=100, 8325/2.1=91...(18) HB3 ASP 11 - HG13 ILE 7 far 0 100 0 - 7.6-8.9 HE3 LYS 33 - HG13 ILE 7 far 0 81 0 - 8.3-12.4 HE2 LYS 33 - HG13 ILE 7 far 0 81 0 - 8.4-11.2 HE3 LYS 12 - HG13 ILE 7 far 0 82 0 - 8.5-12.2 HE2 LYS 12 - HG13 ILE 7 far 0 96 0 - 8.6-12.2 Violated in 0 structures by 0.00 A. Peak 8259 from cnoeabs.peaks (3.92, 0.62, 13.69 ppm; 4.85 A): 2 out of 5 assignments used, quality = 1.00: HB3 SER 9 + QD1 ILE 7 OK 100 100 100 100 2.6-4.0 8331=99, 1.8/8325=84...(18) HA ALA 89 + QD1 ILE 7 OK 27 92 40 73 4.8-6.4 2.1/12172=39...(5) HB2 SER 85 - QD1 ILE 7 far 0 94 0 - 8.3-9.1 HA GLU 63 - QD1 ILE 7 far 0 100 0 - 9.4-11.3 HA ARG 91 - QD1 ILE 7 far 0 71 0 - 9.5-11.6 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 = 0.96: HA ALA 18 + QD1 ILE 7 OK 90 100 90 100 4.1-5.8 2.1/8278=100...(15) HA ARG 19 + QD1 ILE 7 OK 63 75 85 98 5.1-6.9 4.9/8278=77...(7) HA LEU 64 - QD1 ILE 7 far 0 81 0 - 9.3-10.6 Violated in 2 structures by 0.01 A. Peak 8261 from cnoeabs.peaks (3.26, 0.62, 13.69 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 15 + QD1 ILE 7 OK 100 100 100 100 1.9-2.3 8459=95, 12020/10272=65...(22) Violated in 0 structures by 0.00 A. Peak 8262 from cnoeabs.peaks (2.99, 0.62, 13.69 ppm; 5.34 A): 1 out of 8 assignments used, quality = 1.00: HB2 SER 9 + QD1 ILE 7 OK 100 100 100 100 1.9-3.6 8325=99, 1.8/8331=92...(21) HB3 ASP 11 - QD1 ILE 7 far 0 100 0 - 5.7-6.8 HE3 LYS 12 - QD1 ILE 7 far 0 82 0 - 6.1-9.6 HE2 LYS 12 - QD1 ILE 7 far 0 96 0 - 6.5-9.6 HE3 LYS 33 - QD1 ILE 7 far 0 81 0 - 7.0-9.9 HE2 LYS 33 - QD1 ILE 7 far 0 81 0 - 7.6-9.5 HE3 LYS 13 - QD1 ILE 7 far 0 70 0 - 8.7-11.2 HE2 LYS 13 - QD1 ILE 7 far 0 73 0 - 8.7-11.7 Violated in 0 structures by 0.00 A. Peak 8264 from cnoeabs.peaks (4.23, 0.80, 16.81 ppm; 4.76 A): 1 out of 1 assignment used, quality = 0.99: HB THR 31 + QG2 ILE 7 OK 99 99 100 100 3.4-3.6 2.1/8282=99, 3.0/8255=82...(14) Violated in 0 structures by 0.00 A. Peak 8265 from cnoeabs.peaks (3.93, 0.80, 16.81 ppm; 4.58 A increased from 4.07 A): 1 out of 3 assignments used, quality = 1.00: HB3 SER 9 + QG2 ILE 7 OK 100 100 100 100 4.1-4.4 1.8/8267=83, 8331/3.0=62...(15) HA ALA 89 - QG2 ILE 7 far 0 84 0 - 7.3-7.6 HA TYR 41 - QG2 ILE 7 far 0 100 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 8267 from cnoeabs.peaks (3.00, 0.80, 16.81 ppm; 4.36 A increased from 3.87 A): 1 out of 6 assignments used, quality = 1.00: HB2 SER 9 + QG2 ILE 7 OK 100 100 100 100 4.1-4.3 1.8/8265=72, 8325/3.0=57...(18) HE3 LYS 33 - QG2 ILE 7 far 0 87 0 - 5.7-7.9 HE2 LYS 33 - QG2 ILE 7 far 0 87 0 - 5.9-7.5 HE3 LYS 12 - QG2 ILE 7 far 0 75 0 - 5.9-9.2 HE2 LYS 12 - QG2 ILE 7 far 0 99 0 - 6.0-9.5 HB3 ASP 11 - QG2 ILE 7 far 0 100 0 - 7.1-8.2 Violated in 0 structures by 0.00 A. Peak 8271 from cnoeabs.peaks (1.20, 5.13, 58.46 ppm; 4.23 A): 1 out of 4 assignments used, quality = 0.99: HB2 LEU 57 + HA ILE 7 OK 99 99 100 100 3.6-3.9 1.8/8272=82, 9345=68...(13) QB ALA 18 - HA ILE 7 far 9 87 10 - 4.4-5.0 HB2 LEU 6 - HA ILE 7 far 0 87 0 - 5.1-5.2 QG2 THR 84 - HA ILE 7 far 0 59 0 - 10.0-10.4 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 3 assignments used, quality = 1.00: HB3 LEU 57 + HA ILE 7 OK 100 100 100 100 2.2-2.8 1.8/8271=69, 9344=68...(15) HB2 GLU 88 - HA ILE 7 far 0 98 0 - 9.3-10.0 HB ILE 93 - HA ILE 7 far 0 94 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 8273 from cnoeabs.peaks (1.90, 5.13, 58.46 ppm; 4.50 A): 1 out of 6 assignments used, quality = 0.89: HB ILE 8 + HA ILE 7 OK 89 100 90 100 4.4-4.8 6094/6087=83, 8299=74...(10) HB VAL 32 - HA ILE 7 far 0 61 0 - 5.4-5.8 HB3 LEU 14 - HA ILE 7 far 0 100 0 - 8.0-8.8 HB3 ARG 19 - HA ILE 7 far 0 82 0 - 9.6-10.4 HB VAL 54 - HA ILE 7 far 0 95 0 - 9.8-10.3 HB2 ARG 19 - HA ILE 7 far 0 99 0 - 9.9-10.9 Violated in 3 structures by 0.05 A. Peak 8275 from cnoeabs.peaks (1.14, 1.52, 41.02 ppm; 4.00 A): 1 out of 4 assignments used, quality = 1.00: QG2 THR 31 + HB ILE 7 OK 100 100 100 100 3.8-3.9 8732=99, 8282/2.1=88...(11) HB2 LEU 29 - HB ILE 7 far 0 95 0 - 5.9-6.6 HB2 LEU 6 - HB ILE 7 far 0 63 0 - 6.4-6.5 QG2 THR 31 - HB2 LEU 14 far 0 91 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 8276 from cnoeabs.peaks (1.22, 1.52, 41.02 ppm; 4.62 A): 1 out of 5 assignments used, quality = 0.99: QB ALA 18 + HB ILE 7 OK 99 99 100 100 2.7-3.2 8283/2.1=89, 8278/3.2=85...(14) HB2 LEU 57 - HB ILE 7 far 4 87 5 - 4.9-5.5 QB ALA 18 - HB2 LEU 14 far 0 89 0 - 5.9-6.2 QG2 THR 84 - HB2 LEU 14 far 0 75 0 - 7.8-8.1 HB2 LEU 57 - HB2 LEU 14 far 0 74 0 - 8.4-8.9 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 6 assignments used, quality = 0.97: HB3 LEU 57 + HB ILE 7 OK 97 97 100 100 3.6-4.3 8272/3.0=70, 8287/3.2=62...(19) HB2 GLU 88 - HB2 LEU 14 far 0 91 0 - 7.5-8.1 HB ILE 93 - HB ILE 7 far 0 100 0 - 8.1-8.6 HB3 LEU 57 - HB2 LEU 14 far 0 85 0 - 9.2-9.8 HB2 LYS 90 - HB2 LEU 14 far 0 91 0 - 9.5-10.4 HB2 GLU 88 - HB ILE 7 far 0 100 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 8278 from cnoeabs.peaks (1.22, 0.62, 13.69 ppm; 3.17 A): 1 out of 3 assignments used, quality = 0.98: QB ALA 18 + QD1 ILE 7 OK 98 100 100 98 1.8-3.2 8483=47, 8283/3.0=40...(18) HB2 LEU 57 - QD1 ILE 7 far 0 79 0 - 4.2-4.5 QG2 THR 84 - QD1 ILE 7 far 0 94 0 - 7.8-8.3 Violated in 2 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 3.5-3.9 8282/3.0=70, 8732/3.2=61...(16) HB2 LEU 29 - QD1 ILE 7 far 0 63 0 - 6.5-8.3 HG3 LYS 82 - QD1 ILE 7 far 0 96 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. Peak 8280 from cnoeabs.peaks (1.13, 0.89, 27.84 ppm; 5.15 A): 1 out of 3 assignments used, quality = 0.98: QG2 THR 31 + HG13 ILE 7 OK 98 98 100 100 4.5-4.8 8279/2.1=90, 8282/3.2=87...(12) HB2 LEU 29 - HG13 ILE 7 far 0 73 0 - 7.8-9.6 HG3 LYS 82 - HG13 ILE 7 far 0 99 0 - 9.9-11.4 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 4.3-4.9 1.8/8285=77, 9353/2.1=73...(13) QB ALA 18 + HG13 ILE 7 OK 93 93 100 100 2.1-4.4 8278/2.1=89, 8283/3.2=69...(11) HB2 LEU 6 - HG13 ILE 7 far 0 79 0 - 7.8-8.4 QG2 THR 84 - HG13 ILE 7 far 0 70 0 - 9.1-10.2 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 4 assignments used, quality = 0.98: QG2 THR 31 + QG2 ILE 7 OK 98 100 100 98 1.8-1.9 8730=52, 8275/2.1=43...(14) HB2 LEU 29 - QG2 ILE 7 far 0 95 0 - 5.9-6.4 HB2 LEU 6 - QG2 ILE 7 far 0 63 0 - 6.0-6.1 QG2 THR 34 - QG2 ILE 7 far 0 73 0 - 8.4-8.8 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 = 0.99: QB ALA 18 + QG2 ILE 7 OK 99 100 100 99 2.9-3.4 8278/3.0=69, 8276/2.1=51...(14) HB2 LEU 57 - QG2 ILE 7 far 0 79 0 - 5.5-5.9 QG2 THR 84 - QG2 ILE 7 far 0 94 0 - 9.6-10.0 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 5 assignments used, quality = 1.00: HB3 LEU 57 + HG12 ILE 7 OK 100 100 100 100 2.5-3.1 12134=80, 8287/2.1=66...(13) HB VAL 5 - HG12 ILE 7 far 0 77 0 - 7.1-7.6 HB2 GLU 88 - HG12 ILE 7 far 0 90 0 - 7.6-8.2 HB ILE 93 - HG12 ILE 7 far 0 81 0 - 8.4-9.0 HB2 LYS 90 - HG12 ILE 7 far 0 93 0 - 9.8-10.5 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 3.9-4.5 12133=95, 8287/2.1=81...(12) HB2 GLU 88 - HG13 ILE 7 far 0 100 0 - 8.3-9.2 HB ILE 93 - HG13 ILE 7 far 0 99 0 - 8.4-10.6 HB3 GLU 63 - HG13 ILE 7 far 0 65 0 - 9.1-11.3 HB2 LYS 90 - HG13 ILE 7 far 0 100 0 - 9.6-11.7 HB3 LYS 90 - HG13 ILE 7 far 0 92 0 - 9.7-12.2 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 15 assignments used, quality = 1.00: HG12 ILE 15 + QD1 ILE 7 OK 96 96 100 100 2.4-3.2 2.1/8469=79, 1.8/8470=74...(16) HB ILE 15 + QD1 ILE 7 OK 91 91 100 100 4.2-4.3 3.0/8459=75, 3.2/8469=65...(22) HD3 LYS 90 - QD1 ILE 7 far 0 98 0 - 6.2-8.6 HD2 LYS 12 - QD1 ILE 7 far 0 99 0 - 6.6-8.8 HD3 LYS 12 - QD1 ILE 7 far 0 99 0 - 6.8-8.8 HG2 PRO 86 - QD1 ILE 7 far 0 96 0 - 7.2-8.2 HD2 LYS 90 - QD1 ILE 7 far 0 75 0 - 7.2-9.4 HD2 LYS 20 - QD1 ILE 7 far 0 75 0 - 7.2-8.7 HG3 LYS 20 - QD1 ILE 7 far 0 70 0 - 7.3-9.4 HD3 LYS 33 - QD1 ILE 7 far 0 96 0 - 7.3-10.1 HD3 LYS 20 - QD1 ILE 7 far 0 70 0 - 7.5-9.7 HD2 LYS 13 - QD1 ILE 7 far 0 99 0 - 8.4-10.3 HD3 LYS 13 - QD1 ILE 7 far 0 100 0 - 8.6-10.4 HD2 LYS 33 - QD1 ILE 7 far 0 96 0 - 8.6-10.5 HB3 ARG 91 - QD1 ILE 7 far 0 84 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 8287 from cnoeabs.peaks (1.82, 0.62, 13.69 ppm; 4.46 A increased from 4.20 A): 1 out of 6 assignments used, quality = 0.99: HB3 LEU 57 + QD1 ILE 7 OK 99 99 100 100 4.0-4.5 1.8/9353=72, 8284/2.1=69...(14) HB2 GLU 88 - QD1 ILE 7 far 0 100 0 - 6.6-7.6 HB ILE 93 - QD1 ILE 7 far 0 98 0 - 7.0-9.1 HB2 LYS 90 - QD1 ILE 7 far 0 100 0 - 7.4-9.7 HB3 LYS 90 - QD1 ILE 7 far 0 94 0 - 7.6-10.0 HB3 GLU 63 - QD1 ILE 7 far 0 61 0 - 8.0-9.9 Violated in 1 structures by 0.00 A. Peak 8293 from cnoeabs.peaks (8.48, 1.90, 37.66 ppm; 6.00 A): 1 out of 4 assignments used, quality = 1.00: H VAL 32 + HB ILE 8 OK 100 100 100 100 5.5-5.9 10147/3.0=94...(6) H ILE 7 - HB ILE 8 far 9 92 10 - 6.3-6.7 H ALA 67 - HB ILE 8 far 0 100 0 - 7.5-8.0 H THR 31 - HB ILE 8 far 0 94 0 - 9.7-10.0 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 3.2-4.4 6509/12204=82...(10) H ILE 7 + HG12 ILE 8 OK 75 75 100 99 4.6-4.8 4.7/6096=69, 3.0/8303=61...(9) H THR 31 - HG12 ILE 8 far 0 100 0 - 7.2-8.1 H ALA 67 - HG12 ILE 8 far 0 99 0 - 7.8-8.2 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 3.6-4.8 10513/1.8=90...(9) H ILE 7 + HG13 ILE 8 OK 41 82 50 100 5.0-6.1 3.0/8305=69, ~8303=55...(8) H ALA 67 - HG13 ILE 8 far 0 100 0 - 7.3-8.4 H THR 31 - HG13 ILE 8 far 0 99 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 8297 from cnoeabs.peaks (8.49, 0.71, 13.69 ppm; 4.92 A increased from 4.63 A): 4 out of 12 assignments used, quality = 1.00: H VAL 32 + QD1 ILE 8 OK 99 99 100 100 4.5-5.1 6509/12200=80...(10) H ALA 67 + QD1 ILE 56 OK 95 95 100 100 4.8-5.1 3.0/8306=55, ~10677=54...(13) H ARG 79 + QD1 ILE 56 OK 83 96 100 87 4.3-5.1 9697/2593=52...(4) H ALA 67 + QD1 ILE 8 OK 71 99 100 72 4.6-5.0 3.0/8306=23...(6) H VAL 54 - QD1 ILE 56 far 0 98 0 - 5.6-6.2 H ILE 7 - QD1 ILE 8 far 0 73 0 - 5.6-6.0 H ILE 7 - QD1 ILE 56 far 0 68 0 - 7.3-7.6 H THR 31 - QD1 ILE 8 far 0 100 0 - 7.7-8.3 H VAL 32 - QD1 ILE 56 far 0 95 0 - 8.1-8.4 H ARG 79 - QD1 ILE 8 far 0 99 0 - 8.9-9.3 H LYS 53 - QD1 ILE 56 far 0 83 0 - 8.9-9.5 H THR 31 - QD1 ILE 56 far 0 97 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 8299 from cnoeabs.peaks (5.13, 1.90, 37.66 ppm; 4.97 A): 1 out of 2 assignments used, quality = 1.00: HA ILE 7 + HB ILE 8 OK 100 100 100 100 4.4-4.8 8273=99, 6087/6094=92...(10) HA VAL 5 - HB ILE 8 far 0 87 0 - 9.8-10.6 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 2.0-2.4 9374=100, 10703/2.1=62...(24) 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 3.0-3.9 2.1/10224=96, 10701=95...(21) Violated in 0 structures by 0.00 A. Peak 8302 from cnoeabs.peaks (5.26, 0.79, 17.45 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: HA VAL 58 + QG2 ILE 8 OK 100 100 100 100 3.0-3.9 9374/2.1=93, 10703=82...(24) HA VAL 58 - QG2 ILE 15 far 0 70 0 - 8.4-9.2 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 3.8-4.2 6087/6096=98...(10) HA VAL 5 - HG12 ILE 8 far 0 87 0 - 8.2-8.9 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 4.2-4.9 9369=100, 9374/2.9=99...(24) 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 3.4-5.5 8273/2.9=89, 6087/4.6=88...(8) HA VAL 5 - HG13 ILE 8 far 0 97 0 - 8.3-10.3 Violated in 0 structures by 0.00 A. Peak 8306 from cnoeabs.peaks (3.86, 0.71, 13.69 ppm; 4.21 A): 2 out of 12 assignments used, quality = 0.98: HA ALA 67 + QD1 ILE 56 OK 96 97 100 100 3.0-3.3 9525=49, ~10677=48...(17) HA ALA 67 + QD1 ILE 8 OK 40 100 100 40 4.0-4.5 2.1/10681=21...(4) HA GLU 35 - QD1 ILE 8 far 8 82 10 - 4.5-5.2 HA LEU 38 - QD1 ILE 8 far 0 97 0 - 4.6-5.0 HA ALA 71 - QD1 ILE 56 far 0 93 0 - 4.6-4.9 HA LEU 38 - QD1 ILE 56 far 0 93 0 - 5.0-5.6 HA GLU 35 - QD1 ILE 56 far 0 77 0 - 7.0-7.5 HA ALA 71 - QD1 ILE 8 far 0 97 0 - 8.7-9.1 HA GLU 43 - QD1 ILE 56 far 0 83 0 - 9.2-9.7 HA LYS 40 - QD1 ILE 56 far 0 97 0 - 9.2-9.8 HA2 GLY 101 - QD1 ILE 56 far 0 97 0 - 9.9-15.8 HA LYS 40 - QD1 ILE 8 far 0 100 0 - 10.0-10.4 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 3.3-4.0 10701/3.2=77, ~10224=65...(25) HB VAL 58 - QD1 ILE 56 far 0 92 0 - 7.3-7.5 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 2.6-3.0 10744/3.0=73, ~10746=55...(13) HG3 GLU 35 - QD1 ILE 8 far 0 100 0 - 5.7-7.6 HG2 GLU 35 - QD1 ILE 8 far 0 100 0 - 6.1-7.8 HB3 GLN 72 - QD1 ILE 56 far 0 55 0 - 6.7-7.1 HB2 GLU 63 - QD1 ILE 56 far 0 98 0 - 6.8-7.2 HG3 GLU 35 - QD1 ILE 56 far 0 98 0 - 6.9-8.7 HG2 GLU 35 - QD1 ILE 56 far 0 98 0 - 7.3-8.9 HB2 GLN 72 - QD1 ILE 56 far 0 67 0 - 7.9-8.3 HG2 GLU 43 - QD1 ILE 56 far 0 96 0 - 8.9-9.8 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 12 assignments used, quality = 0.99: HB2 GLU 63 + QG2 ILE 8 OK 99 99 100 100 2.5-3.0 10744=99, 3.0/10425=77...(16) HB3 GLU 16 + QG2 ILE 15 OK 33 56 60 99 4.8-5.4 3.0/8530=82, 6238/4.4=61...(8) HB3 GLN 50 - QG2 ILE 52 poor 19 63 30 - 5.2-6.0 HG2 MET 1 - QG2 ILE 52 far 0 66 0 - 6.4-6.8 HG3 GLU 35 - QG2 ILE 8 far 0 99 0 - 7.2-9.1 HB3 GLU 75 - QG2 ILE 52 far 0 68 0 - 7.4-8.4 HG2 GLU 35 - QG2 ILE 8 far 0 99 0 - 7.7-9.2 HG3 PRO 86 - QG2 ILE 15 far 0 69 0 - 9.0-10.3 HB3 GLU 23 - QG2 ILE 15 far 0 40 0 - 9.0-9.9 HG2 GLU 75 - QG2 ILE 52 far 0 61 0 - 9.2-10.4 HG2 GLU 43 - QG2 ILE 52 far 0 69 0 - 9.2-10.2 HG3 GLU 75 - QG2 ILE 52 far 0 63 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 8310 from cnoeabs.peaks (2.29, 0.79, 17.45 ppm; 4.49 A): 3 out of 12 assignments used, quality = 1.00: HG2 GLU 63 + QG2 ILE 8 OK 100 100 100 100 2.3-3.8 10425=94, 3.0/10744=59...(11) HB2 GLU 48 + QG2 ILE 52 OK 67 67 100 100 3.2-4.5 10645/2.1=66...(29) HG3 GLU 16 + QG2 ILE 15 OK 32 69 50 93 4.5-5.3 6240/4.4=59, 4.1/8530=57...(6) HB2 TYR 4 - QG2 ILE 52 far 3 68 5 - 4.8-5.6 HG2 GLU 37 - QG2 ILE 8 far 0 73 0 - 7.0-8.9 HG2 GLU 23 - QG2 ILE 15 far 0 59 0 - 7.5-8.5 HG2 GLU 62 - QG2 ILE 8 far 0 82 0 - 7.6-9.1 HB2 TYR 41 - QG2 ILE 52 far 0 53 0 - 8.2-8.9 HG3 GLU 62 - QG2 ILE 8 far 0 82 0 - 8.5-9.3 HB2 TYR 41 - QG2 ILE 8 far 0 87 0 - 9.4-10.4 HG3 GLU 43 - QG2 ILE 52 far 0 43 0 - 9.4-10.7 HG2 GLU 37 - QG2 ILE 15 far 0 44 0 - 9.5-11.1 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 2.9-3.7 10673/2.9=67...(13) QD1 ILE 7 - HG12 ILE 8 far 10 97 10 - 4.6-6.4 QD2 LEU 29 - HG12 ILE 8 far 0 65 0 - 7.2-8.3 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 98 1.9-2.1 3.0=87, 9734/10682=28...(14) QG2 ILE 56 + QD1 ILE 8 OK 76 100 100 76 2.1-2.6 8312/2.1=23...(12) QD1 ILE 7 - QD1 ILE 8 far 0 87 0 - 5.3-6.8 QD1 ILE 7 - QD1 ILE 56 far 0 82 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 8317 from cnoeabs.peaks (0.70, 4.43, 58.48 ppm; 4.25 A): 1 out of 11 assignments used, quality = 0.86: QD2 LEU 14 + HA SER 9 OK 86 86 100 100 3.9-4.1 8414/3.0=71, 6107/2.9=57...(20) QD1 LEU 14 - HA SER 9 far 0 72 0 - 5.2-5.9 QG2 VAL 78 - HA ILE 76 far 0 91 0 - 5.6-6.0 QG1 VAL 58 - HA SER 9 far 0 76 0 - 6.0-6.4 QD1 ILE 8 - HA SER 9 far 0 85 0 - 6.1-6.2 QD1 LEU 42 - HA ILE 76 far 0 98 0 - 6.4-6.7 QD1 ILE 52 - HA ILE 76 far 0 100 0 - 6.6-7.4 QG2 VAL 58 - HA SER 9 far 0 69 0 - 6.7-7.3 QD1 ILE 56 - HA ILE 76 far 0 100 0 - 7.7-8.0 QD2 LEU 6 - HA SER 9 far 0 82 0 - 9.7-9.8 QG1 VAL 5 - HA SER 9 far 0 67 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 8318 from cnoeabs.peaks (-0.15, 4.43, 58.48 ppm; 4.91 A): 0 out of 0 assignments used, quality = 0.00: Peak 8319 from cnoeabs.peaks (1.89, 2.99, 64.26 ppm; 5.90 A): 2 out of 8 assignments used, quality = 0.98: HB3 LEU 14 + HB2 SER 9 OK 98 98 100 100 3.2-4.5 3.1/8414=98, 3.0/8410=82...(23) HB ILE 8 + HB2 SER 9 OK 34 100 35 99 5.0-6.5 4.4/6109=85, ~8344=47...(6) HB2 LYS 13 - HB2 SER 9 far 0 82 0 - 7.3-8.9 HB3 LYS 12 - HB2 SER 9 far 0 88 0 - 7.9-9.8 HB2 LYS 12 - HB2 SER 9 far 0 85 0 - 8.0-10.0 HB3 LYS 13 - HB2 SER 9 far 0 85 0 - 8.3-9.7 HB3 LYS 33 - HB2 SER 9 far 0 84 0 - 8.4-9.5 HB2 LYS 33 - HB2 SER 9 far 0 81 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 8320 from cnoeabs.peaks (1.71, 2.99, 64.26 ppm; 4.64 A): 1 out of 8 assignments used, quality = 0.98: HG12 ILE 15 + HB2 SER 9 OK 98 98 100 100 3.1-4.6 1.8/8444=77, 8326/1.8=56...(19) HB ILE 15 - HB2 SER 9 far 4 87 5 - 4.9-6.7 HD2 LYS 12 - HB2 SER 9 far 0 100 0 - 6.1-11.1 HD3 LYS 12 - HB2 SER 9 far 0 100 0 - 6.2-9.5 HD3 LYS 33 - HB2 SER 9 far 0 93 0 - 8.0-10.0 HD2 LYS 33 - HB2 SER 9 far 0 93 0 - 9.3-10.8 HG2 PRO 86 - HB2 SER 9 far 0 98 0 - 9.3-10.5 HD2 LYS 13 - HB2 SER 9 far 0 100 0 - 9.5-12.2 Violated in 0 structures by 0.00 A. Peak 8321 from cnoeabs.peaks (1.43, 2.99, 64.26 ppm; 5.66 A increased from 5.33 A): 1 out of 4 assignments used, quality = 1.00: HG12 ILE 7 + HB2 SER 9 OK 100 100 100 100 4.2-5.5 10375=99, 1.8/8322=97...(15) HG2 LYS 12 - HB2 SER 9 far 0 96 0 - 7.1-9.5 HG2 LYS 13 - HB2 SER 9 far 0 100 0 - 9.1-11.4 HG LEU 29 - HB2 SER 9 far 0 100 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 8322 from cnoeabs.peaks (0.89, 2.99, 64.26 ppm; 4.75 A): 1 out of 3 assignments used, quality = 1.00: HG13 ILE 7 + HB2 SER 9 OK 100 100 100 100 3.1-4.5 2.1/8325=77, 8328/1.8=74...(18) HG13 ILE 8 - HB2 SER 9 far 0 100 0 - 6.3-7.6 QG1 VAL 32 - HB2 SER 9 far 0 94 0 - 7.9-8.5 Violated in 0 structures by 0.00 A. Peak 8323 from cnoeabs.peaks (0.78, 2.99, 64.26 ppm; 3.97 A increased from 3.53 A): 3 out of 8 assignments used, quality = 0.99: QG2 ILE 7 + HB2 SER 9 OK 81 96 85 100 4.1-4.3 8267=71, 8265/1.8=56...(18) HG13 ILE 15 + HB2 SER 9 OK 80 81 100 99 2.3-4.0 1.8/8320=58, 8444=43...(19) QD1 ILE 15 + HB2 SER 9 OK 70 88 80 99 2.8-4.6 2.1/8320=55, 2.1/8444=53...(19) QG2 ILE 8 - HB2 SER 9 far 0 100 0 - 4.5-5.5 QG2 ILE 15 - HB2 SER 9 far 0 82 0 - 4.7-5.9 QD2 LEU 57 - HB2 SER 9 far 0 98 0 - 7.7-9.4 QD1 ILE 93 - HB2 SER 9 far 0 98 0 - 8.2-8.9 QD2 LEU 38 - HB2 SER 9 far 0 57 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 8324 from cnoeabs.peaks (0.71, 2.99, 64.26 ppm; 3.74 A): 2 out of 9 assignments used, quality = 1.00: QD2 LEU 14 + HB2 SER 9 OK 100 100 100 100 1.9-2.4 8414=100, 10408/1.8=57...(27) QD1 LEU 14 + HB2 SER 9 OK 21 71 30 99 3.8-4.6 2.1/8414=71, 2.1/8410=36...(19) QG1 VAL 58 - HB2 SER 9 far 0 99 0 - 6.2-7.8 QD1 ILE 8 - HB2 SER 9 far 0 100 0 - 6.6-7.5 QG2 VAL 58 - HB2 SER 9 far 0 68 0 - 6.8-8.4 QG1 VAL 5 - HB2 SER 9 far 0 96 0 - 8.2-9.2 QD2 LEU 6 - HB2 SER 9 far 0 87 0 - 9.1-9.6 QD1 LEU 64 - HB2 SER 9 far 0 75 0 - 9.7-11.4 HG3 ARG 81 - HB2 SER 9 far 0 79 0 - 10.0-15.1 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 1.9-3.6 10272/8414=79...(21) QG2 ILE 56 - HB2 SER 9 far 0 97 0 - 7.8-9.0 QD2 LEU 29 - HB2 SER 9 far 0 79 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 8326 from cnoeabs.peaks (1.71, 3.92, 64.26 ppm; 5.05 A): 2 out of 13 assignments used, quality = 0.98: HG12 ILE 15 + HB3 SER 9 OK 98 98 100 100 2.5-5.0 8320/1.8=89...(14) HB ILE 15 + HB3 SER 9 OK 22 87 25 99 4.7-6.9 3.2/10417=63, ~8320=55...(17) HG2 PRO 86 - HB2 SER 85 far 0 67 0 - 5.5-6.4 HD2 LYS 12 - HB3 SER 9 far 0 100 0 - 6.1-11.0 HD3 LYS 12 - HB3 SER 9 far 0 100 0 - 6.2-10.7 HD2 LYS 90 - HB2 SER 85 far 0 43 0 - 6.9-8.7 HD3 LYS 90 - HB2 SER 85 far 0 70 0 - 7.1-9.3 HD3 LYS 33 - HB3 SER 9 far 0 93 0 - 7.8-10.3 HB3 ARG 91 - HB2 SER 85 far 0 57 0 - 7.8-9.1 HD2 LYS 33 - HB3 SER 9 far 0 93 0 - 9.2-11.0 HG2 PRO 86 - HB3 SER 9 far 0 98 0 - 9.2-10.4 HD2 LYS 13 - HB3 SER 9 far 0 100 0 - 9.8-12.2 HD3 LYS 13 - HB3 SER 9 far 0 100 0 - 10.0-12.6 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 4.5-5.8 1.8/8328=100...(15) HG2 LYS 12 - HB3 SER 9 far 0 65 0 - 7.0-9.6 HG2 LYS 13 - HB3 SER 9 far 0 91 0 - 9.6-11.3 HG LEU 29 - HB3 SER 9 far 0 84 0 - 9.9-10.5 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 3 assignments used, quality = 1.00: HG13 ILE 7 + HB3 SER 9 OK 100 100 100 100 3.2-5.1 8257=87, 8322/1.8=85...(18) HG13 ILE 8 - HB3 SER 9 far 0 100 0 - 6.3-7.7 QG1 VAL 32 - HB3 SER 9 far 0 98 0 - 7.8-8.7 Violated in 2 structures by 0.01 A. Peak 8329 from cnoeabs.peaks (0.78, 3.92, 64.26 ppm; 4.11 A increased from 3.65 A): 3 out of 11 assignments used, quality = 0.99: QG2 ILE 7 + HB3 SER 9 OK 89 90 100 100 4.1-4.4 8265=62, 8267/1.8=60...(15) HG13 ILE 15 + HB3 SER 9 OK 88 90 100 99 2.1-4.2 8444/1.8=51...(20) QD1 ILE 15 + HB3 SER 9 OK 42 95 45 99 2.6-4.8 10417=48, ~8320=43...(20) QG2 ILE 8 - HB3 SER 9 far 0 99 0 - 4.4-5.5 QG2 ILE 15 - HB3 SER 9 far 0 71 0 - 4.6-6.2 QD2 LEU 57 - HB3 SER 9 far 0 93 0 - 8.0-9.4 QD1 ILE 93 - HB3 SER 9 far 0 100 0 - 8.2-9.1 QD1 ILE 93 - HB2 SER 85 far 0 71 0 - 8.8-10.4 HG3 ARG 81 - HB2 SER 85 far 0 38 0 - 9.3-12.9 QD1 LEU 64 - HB3 SER 9 far 0 68 0 - 9.7-11.5 QD2 LEU 57 - HB2 SER 85 far 0 62 0 - 9.8-10.3 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 1.9-2.3 8414/1.8=80, 10408=75...(24) QD1 LEU 14 + HB3 SER 9 OK 46 71 65 99 3.8-4.6 2.1/10408=54, ~8414=50...(16) QD1 LEU 14 - HB2 SER 85 far 0 44 0 - 4.5-4.7 QG1 VAL 58 - HB3 SER 9 far 0 99 0 - 6.3-7.9 QD1 ILE 8 - HB3 SER 9 far 0 100 0 - 6.6-7.7 QG2 VAL 58 - HB3 SER 9 far 0 68 0 - 6.7-8.6 QD2 LEU 14 - HB2 SER 85 far 0 72 0 - 6.9-7.2 QG1 VAL 5 - HB3 SER 9 far 0 96 0 - 8.3-9.3 QD2 LEU 6 - HB3 SER 9 far 0 87 0 - 9.2-9.8 HG3 ARG 81 - HB2 SER 85 far 0 50 0 - 9.3-12.9 QD1 LEU 64 - HB3 SER 9 far 0 75 0 - 9.7-11.5 QG2 VAL 58 - HB2 SER 85 far 0 41 0 - 9.8-10.2 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 2.6-4.0 8325/1.8=81, 8259=72...(18) QG2 ILE 56 - HB3 SER 9 far 0 97 0 - 7.7-9.1 QD2 LEU 29 - HB3 SER 9 far 0 79 0 - 8.0-8.8 QD1 ILE 7 - HB2 SER 85 far 0 71 0 - 8.3-9.1 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 2.0-3.5 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 = 0.99: HA ILE 8 + HB2 SER 9 OK 99 99 100 100 4.4-5.0 6102/6109=98...(12) HA ASP 11 + HB2 SER 9 OK 55 85 65 100 5.5-7.1 10385/6115=75, ~10388=71...(11) 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): 2 out of 4 assignments used, quality = 1.00: HA ILE 8 + HB3 SER 9 OK 100 100 100 100 4.5-5.2 6102/6110=91...(13) HA THR 84 + HB2 SER 85 OK 35 45 95 81 4.7-5.8 3.0/9833=58, ~9834=39 HA ASP 11 - HB3 SER 9 poor 19 96 20 - 5.3-7.0 HA THR 84 - HB3 SER 9 far 0 73 0 - 6.8-8.6 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 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 8347 from cnoeabs.peaks (8.79, 4.43, 58.24 ppm; 5.33 A increased from 5.01 A): 2 out of 2 assignments used, quality = 1.00: H ILE 8 + HA SER 9 OK 99 99 100 100 5.1-5.2 6101/2.9=87, ~6102=62...(9) H SER 59 + HA SER 9 OK 97 99 100 98 4.8-5.4 9403=76, 6964/9405=65...(6) Violated in 0 structures by 0.00 A. Peak 8349 from cnoeabs.peaks (8.79, 3.92, 64.26 ppm; 5.65 A increased from 5.31 A): 2 out of 2 assignments used, quality = 1.00: H ILE 8 + HB3 SER 9 OK 100 100 100 100 4.0-5.4 6101/6110=81...(11) H SER 59 + HB3 SER 9 OK 52 100 65 80 5.2-7.3 9403/3.0=67, 9402=26 Violated in 0 structures by 0.00 A. Peak 8351 from cnoeabs.peaks (6.00, 2.93, 39.13 ppm; 5.30 A): 0 out of 0 assignments used, quality = 0.00: Peak 8352 from cnoeabs.peaks (4.43, 2.75, 39.13 ppm; 6.01 A increased from 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=98...(4) Violated in 0 structures by 0.00 A. Peak 8353 from cnoeabs.peaks (4.60, 2.75, 39.13 ppm; 5.87 A increased from 5.52 A): 1 out of 2 assignments used, quality = 1.00: HA ASP 11 + HB3 ASN 10 OK 100 100 100 100 4.3-5.6 3.0/6139=93, 8355/1.8=86...(12) HA ILE 8 - HB3 ASN 10 far 0 98 0 - 7.4-8.9 Violated in 0 structures by 0.00 A. Peak 8354 from cnoeabs.peaks (4.43, 2.93, 39.13 ppm; 5.38 A increased from 5.07 A): 1 out of 1 assignment used, quality = 1.00: HA SER 9 + HB2 ASN 10 OK 100 100 100 100 4.3-5.2 6114/6118=90...(4) Violated in 0 structures by 0.00 A. Peak 8355 from cnoeabs.peaks (4.60, 2.93, 39.13 ppm; 5.73 A): 1 out of 3 assignments used, quality = 1.00: HA ASP 11 + HB2 ASN 10 OK 100 100 100 100 4.2-5.0 3.0/6138=98, 3.0/8360=82...(12) HA ILE 8 - HB2 ASN 10 far 0 98 0 - 7.9-8.7 HA THR 84 - HB2 ASN 10 far 0 93 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 8356 from cnoeabs.peaks (0.76, 4.94, 52.22 ppm; 3.78 A): 1 out of 4 assignments used, quality = 0.95: QD1 ILE 15 + HA ASN 10 OK 95 100 100 95 3.2-3.5 8449=76, 10389/3.6=36...(8) HG13 ILE 15 - HA ASN 10 far 0 99 0 - 5.2-5.9 QG2 ILE 8 - HA ASN 10 far 0 88 0 - 5.9-6.1 QG2 ILE 7 - HA ASN 10 far 0 68 0 - 6.5-6.8 Violated in 0 structures by 0.00 A. Peak 8357 from cnoeabs.peaks (0.78, 2.93, 39.13 ppm; 5.61 A increased from 4.99 A): 1 out of 5 assignments used, quality = 0.92: QD1 ILE 15 + HB2 ASN 10 OK 92 93 100 99 5.2-5.4 8356/3.0=88...(5) QG2 ILE 8 - HB2 ASN 10 far 0 99 0 - 6.2-7.3 HG13 ILE 15 - HB2 ASN 10 far 0 87 0 - 7.0-8.0 QG2 ILE 7 - HB2 ASN 10 far 0 92 0 - 8.2-8.8 QG2 ILE 15 - HB2 ASN 10 far 0 75 0 - 8.3-8.5 Violated in 0 structures by 0.00 A. Peak 8358 from cnoeabs.peaks (2.43, 2.75, 39.13 ppm; 5.83 A increased from 5.49 A): 1 out of 1 assignment used, quality = 1.00: HB2 ASP 11 + HB3 ASN 10 OK 100 100 100 100 5.1-5.8 8360/1.8=93...(5) Violated in 0 structures by 0.00 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 5.0-5.5 8356/3.0=92, 8357/1.8=58...(5) QG2 ILE 8 - HB3 ASN 10 far 7 73 10 - 5.7-7.5 HG13 ILE 15 - HB3 ASN 10 far 0 100 0 - 7.2-7.8 QG1 VAL 58 - HB3 ASN 10 far 0 70 0 - 9.0-11.1 Violated in 0 structures by 0.00 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 4.2-5.3 6143/6138=85...(5) Violated in 3 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 2.7-4.0 8406=69, 1.8/8363=63...(15) HB2 LYS 13 + HB2 ASP 11 OK 32 96 40 84 4.3-5.0 4.6/8377=31, 8365/1.8=25...(17) HB3 LYS 13 - HB2 ASP 11 far 0 98 0 - 5.6-6.5 HB3 LYS 12 - HB2 ASP 11 far 0 68 0 - 6.4-6.6 HB2 LYS 12 - HB2 ASP 11 far 0 63 0 - 7.2-7.6 HB ILE 8 - HB2 ASP 11 far 0 100 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 8363 from cnoeabs.peaks (1.52, 2.43, 40.97 ppm; 4.61 A): 1 out of 3 assignments used, quality = 1.00: HB2 LEU 14 + HB2 ASP 11 OK 100 100 100 100 3.4-4.4 8431=96, 8432/1.8=84...(15) HG3 LYS 13 - HB2 ASP 11 far 0 84 0 - 5.6-7.1 HB ILE 7 - HB2 ASP 11 far 0 100 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 8364 from cnoeabs.peaks (0.70, 2.43, 40.97 ppm; 4.89 A increased from 4.35 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 14 + HB2 ASP 11 OK 99 99 100 100 3.5-4.8 2.1/8417=74, 8415=73...(19) QD1 LEU 14 + HB2 ASP 11 OK 92 92 100 100 4.1-4.7 8417=83, 3.1/8363=69...(18) Violated in 0 structures by 0.00 A. Peak 8365 from cnoeabs.peaks (1.90, 2.99, 40.97 ppm; 4.18 A): 3 out of 5 assignments used, quality = 1.00: HB3 LEU 14 + HB3 ASP 11 OK 100 100 100 100 2.4-3.7 1.8/8432=71, 8406/1.8=64...(16) HB2 LYS 13 + HB3 ASP 11 OK 75 92 100 82 2.7-3.7 4.6/12269=41...(10) HB3 LYS 13 + HB3 ASP 11 OK 44 94 60 78 4.2-4.9 4.6/12269=41...(9) HB3 LYS 12 - HB3 ASP 11 far 0 77 0 - 5.2-5.9 HB2 LYS 12 - HB3 ASP 11 far 0 73 0 - 6.1-6.6 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 99 99 100 100 2.9-3.9 8432=98, 8363/1.8=79...(16) HG3 LYS 13 + HB3 ASP 11 OK 40 65 80 76 4.0-5.8 4.8/6171=37, 3.0/8365=25...(8) HB ILE 7 - HB3 ASP 11 far 0 99 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 8367 from cnoeabs.peaks (0.69, 2.99, 40.97 ppm; 5.01 A increased from 4.45 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 14 + HB3 ASP 11 OK 96 96 100 100 4.1-5.1 8417/1.8=76, 3.1/8432=76...(17) QD2 LEU 14 + HB3 ASP 11 OK 96 96 100 100 3.6-5.0 3.1/8432=76, 8369/4.0=62...(16) Violated in 0 structures by 0.00 A. Peak 8368 from cnoeabs.peaks (1.89, 4.60, 53.23 ppm; 4.49 A increased from 4.23 A): 1 out of 5 assignments used, quality = 0.87: HB3 LYS 12 + HA ASP 11 OK 87 92 100 95 4.2-4.4 6153/369=79...(6) HB2 LYS 13 - HA ASP 11 poor 20 77 30 86 4.7-5.1 6175/8390=41...(14) HB3 LEU 14 - HA ASP 11 far 0 96 0 - 5.0-5.4 HB2 LYS 12 - HA ASP 11 far 0 90 0 - 5.6-5.7 HB3 LYS 13 - HA ASP 11 far 0 81 0 - 6.4-6.7 Violated in 0 structures by 0.00 A. Peak 8374 from cnoeabs.peaks (6.06, 2.43, 40.97 ppm; 4.98 A): 1 out of 1 assignment used, quality = 0.99: HG SER 9 + HB2 ASP 11 OK 99 100 100 99 2.5-4.5 8372/6143=83...(7) Violated in 0 structures by 0.00 A. Peak 8375 from cnoeabs.peaks (6.05, 2.99, 40.97 ppm; 5.81 A): 1 out of 1 assignment used, quality = 0.99: HG SER 9 + HB3 ASP 11 OK 99 99 100 100 3.4-5.7 8374/1.8=94, 8372/4.0=85...(7) 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 4.3-4.9 8390/3.0=77, 6171/1.8=76...(8) H ILE 15 + HB2 ASP 11 OK 85 100 85 100 4.5-5.6 6212/8406=75...(7) H GLU 17 - HB2 ASP 11 far 0 98 0 - 8.0-9.1 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 3.2-4.1 12269/1.8=94, 8418=84...(13) 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 ILE 15 + HB3 ASP 11 OK 100 100 100 100 3.7-4.5 6209/12269=91...(10) H LYS 13 + HB3 ASP 11 OK 100 100 100 100 2.7-3.5 6171=96, 6182/12269=93...(11) H GLU 17 - HB3 ASP 11 far 0 100 0 - 7.1-7.6 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 2.3-2.7 12269=96, 8418/1.8=88...(18) Violated in 0 structures by 0.00 A. Peak 8381 from cnoeabs.peaks (0.76, 3.85, 59.58 ppm; 3.18 A): 1 out of 12 assignments used, quality = 0.99: QD1 ILE 15 + HA LYS 12 OK 99 100 100 99 1.9-2.5 8446=73, 3.2/644=40...(19) QG2 ILE 93 - HA LYS 94 poor 19 64 30 - 3.3-3.6 HG13 ILE 15 - HA LYS 12 far 0 99 0 - 3.6-4.9 QD1 LEU 27 - HA LYS 94 far 0 69 0 - 4.2-5.0 QD1 ILE 93 - HA LYS 94 far 0 68 0 - 5.7-5.9 QG2 ILE 7 - HA LYS 12 far 0 68 0 - 6.1-6.3 QD2 LEU 27 - HA LYS 94 far 0 41 0 - 6.2-7.0 HG13 ILE 93 - HA LYS 94 far 0 58 0 - 6.4-6.4 QG1 VAL 5 - HA LYS 94 far 0 37 0 - 7.5-7.9 QD2 LEU 57 - HA LYS 94 far 0 43 0 - 8.5-9.5 QG2 ILE 8 - HA LYS 12 far 0 88 0 - 9.2-9.7 QD1 ILE 93 - HA LYS 12 far 0 100 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 8385 from cnoeabs.peaks (0.86, 4.15, 58.53 ppm; 6.35 A increased from 5.35 A): 1 out of 3 assignments used, quality = 0.48: QG2 ILE 76 + HA GLN 72 OK 48 51 100 95 6.0-6.1 4.0/9650=85, ~9556=39...(4) QD1 LEU 38 - HA GLN 72 far 0 69 0 - 7.9-8.5 HG13 ILE 7 - HA LYS 13 far 0 63 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 8386 from cnoeabs.peaks (0.71, 4.15, 58.53 ppm; 4.86 A increased from 4.57 A): 1 out of 7 assignments used, quality = 0.63: QG2 VAL 78 + HA GLN 72 OK 63 68 100 92 4.6-5.0 9558/3.0=51, 9566/3.9=33...(7) QG1 VAL 78 - HA GLN 72 far 2 45 5 - 5.1-5.8 QD1 LEU 42 - HA GLN 72 far 0 52 0 - 6.0-6.6 QD2 LEU 14 - HA LYS 13 far 0 100 0 - 6.5-6.8 QD1 LEU 14 - HA LYS 13 far 0 63 0 - 6.7-7.0 QD1 ILE 56 - HA GLN 72 far 0 68 0 - 6.8-7.1 QD1 LEU 64 - HA GLN 72 far 0 51 0 - 9.9-10.6 Violated in 3 structures by 0.01 A. Peak 8387 from cnoeabs.peaks (0.68, 1.91, 31.45 ppm; 6.02 A increased from 5.35 A): 3 out of 4 assignments used, quality = 1.00: QD1 LEU 14 + HB2 LYS 13 OK 89 100 100 90 5.3-5.9 618/4.6=77, 4.0/8393=35...(5) QD1 LEU 14 + HB3 LYS 13 OK 87 100 100 87 5.6-6.1 618/4.6=77, 4.0/8393=35...(4) QD2 LEU 14 + HB2 LYS 13 OK 73 87 100 84 5.8-6.2 626/4.6=65, 4.0/8393=35...(5) QD2 LEU 14 - HB3 LYS 13 far 0 87 0 - 6.4-6.8 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=62, ~6182=57...(15) HB THR 80 - HA GLN 72 far 0 69 0 - 9.5-10.7 HA LEU 42 - HA GLN 72 far 0 47 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 8392 from cnoeabs.peaks (3.87, 4.15, 58.53 ppm; 4.94 A increased from 4.39 A): 2 out of 4 assignments used, quality = 0.99: HA LYS 12 + HA LYS 13 OK 98 99 100 100 4.8-4.9 6186/3.6=53, ~6166=49...(12) HA ALA 71 + HA GLN 72 OK 59 59 100 100 4.7-4.8 ~7170=63, 9579/3.6=61...(15) HA ALA 67 - HA GLN 72 far 0 66 0 - 9.0-9.2 HB3 SER 49 - HA GLN 72 far 0 68 0 - 9.8-11.8 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 4.3-4.7 8391/3.0=70...(17) HA LEU 14 + HB3 LYS 13 OK 90 91 100 100 4.0-4.4 8391/3.0=70, 8389/4.0=56...(15) 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 4.3-4.6 6262=100, 6269/593=61...(10) H ASP 11 - HA LEU 14 far 0 98 0 - 6.7-6.9 H ASN 10 - HA LEU 14 far 0 92 0 - 8.0-8.5 H ALA 18 - HA GLU 88 far 0 55 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 8396 from cnoeabs.peaks (8.68, 1.90, 41.23 ppm; 5.27 A): 2 out of 3 assignments used, quality = 1.00: H ASP 11 + HB3 LEU 14 OK 100 100 100 100 3.9-4.1 8370=100, 8369/3.1=81...(14) H ASN 10 + HB3 LEU 14 OK 65 68 100 96 5.0-5.5 4.6/8370=67, 8333/3.1=40...(10) H ALA 18 - HB3 LEU 14 far 0 91 0 - 6.1-6.3 Violated in 0 structures by 0.00 A. Peak 8397 from cnoeabs.peaks (8.68, 1.52, 41.23 ppm; 5.46 A): 1 out of 6 assignments used, quality = 1.00: H ASP 11 + HB2 LEU 14 OK 100 100 100 100 5.0-5.5 8371=100, 8370/1.8=100...(11) H ALA 18 - HB ILE 7 far 0 78 0 - 5.8-6.2 H ASN 10 - HB2 LEU 14 far 0 68 0 - 6.1-6.9 H ALA 18 - HB2 LEU 14 far 0 91 0 - 6.4-6.6 H ASP 11 - HB ILE 7 far 0 91 0 - 9.1-10.0 H ASN 10 - HB ILE 7 far 0 56 0 - 9.4-9.7 Violated in 2 structures by 0.00 A. Peak 8398 from cnoeabs.peaks (8.68, 0.68, 25.64 ppm; 5.52 A increased from 4.65 A): 3 out of 3 assignments used, quality = 1.00: H ASP 11 + QD1 LEU 14 OK 100 100 100 100 5.0-5.4 8369/2.1=96, 8370/3.1=90...(10) H ASN 10 + QD1 LEU 14 OK 57 68 90 94 5.4-5.9 8333/2.1=46...(6) H ALA 18 + QD1 LEU 14 OK 22 91 25 98 5.7-6.1 ~12013=66, 6262/619=66...(7) Violated in 0 structures by 0.00 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 4.7-4.9 9830=94, 4.0/10402=90...(10) H ILE 56 - QD1 LEU 42 far 0 96 0 - 7.0-7.6 H GLU 35 - QD1 LEU 42 far 0 93 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 8400 from cnoeabs.peaks (8.68, 0.71, 24.35 ppm; 4.27 A): 2 out of 3 assignments used, quality = 1.00: H ASP 11 + QD2 LEU 14 OK 100 100 100 100 3.6-4.2 8369=90, 8370/3.1=64...(15) H ASN 10 + QD2 LEU 14 OK 66 68 100 98 4.1-4.5 3.6/8317=55, 4.6/8414=49...(12) H ALA 18 - QD2 LEU 14 far 0 91 0 - 4.7-5.2 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 2.0-3.2 2.8/8414=88...(20) 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 3 assignments used, quality = 1.00: H ALA 89 + QD1 LEU 14 OK 100 100 100 100 3.6-4.2 9925=90, 9780/10402=65...(14) HE22 GLN 72 - QD1 LEU 42 far 0 92 0 - 7.4-8.8 HE ARG 19 - QD1 LEU 14 far 0 87 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 8403 from cnoeabs.peaks (6.06, 0.68, 25.64 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: HG SER 9 + QD1 LEU 14 OK 100 100 100 100 2.7-4.5 8401/2.1=59, ~8414=55...(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 3 assignments used, quality = 0.99: H ALA 89 + HG LEU 14 OK 99 99 100 100 4.8-5.3 9925/2.1=97...(9) H ARG 91 - HG LEU 14 far 0 63 0 - 8.3-9.0 HE ARG 19 - HG LEU 14 far 0 93 0 - 9.0-11.7 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 3.2-4.5 8414/3.1=74, 8410/3.0=45...(23) HB3 ASP 11 + HB3 LEU 14 OK 96 96 100 100 2.4-3.7 1.8/8406=73, 8432/1.8=69...(16) HE3 LYS 12 - HB3 LEU 14 far 0 97 0 - 6.9-10.2 HE3 LYS 13 - HB3 LEU 14 far 0 91 0 - 7.3-9.7 HE2 LYS 12 - HB3 LEU 14 far 0 81 0 - 7.4-10.2 HE2 LYS 13 - HB3 LEU 14 far 0 93 0 - 7.6-9.8 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 2.7-4.0 8363/1.8=80, 8362=76...(15) HG3 GLU 17 - HB3 LEU 14 far 0 100 0 - 6.0-8.2 Violated in 0 structures by 0.00 A. Peak 8407 from cnoeabs.peaks (4.09, 1.35, 28.11 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: HA PRO 86 + HG LEU 14 OK 100 100 100 100 2.5-3.2 8411/2.1=77, 8412/2.1=50...(16) HA GLU 17 - HG LEU 14 far 0 61 0 - 6.8-7.5 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 4.3-4.9 3.6/8407=88...(24) HD2 PRO 86 + HG LEU 14 OK 45 99 45 100 5.6-6.1 3.6/8407=88, ~9889=62...(23) 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 3.9-4.5 8413/2.1=96, 3.0/6213=90...(22) Violated in 0 structures by 0.00 A. Peak 8410 from cnoeabs.peaks (3.00, 1.35, 28.11 ppm; 5.22 A): 1 out of 6 assignments used, quality = 1.00: HB2 SER 9 + HG LEU 14 OK 100 100 100 100 4.7-5.0 8414/2.1=97, ~10408=62...(18) HB3 ASP 11 - HG LEU 14 poor 20 100 20 - 5.3-6.3 HE3 LYS 13 - HG LEU 14 far 0 63 0 - 8.2-11.2 HE3 LYS 12 - HG LEU 14 far 0 77 0 - 8.3-12.3 HE2 LYS 13 - HG LEU 14 far 0 68 0 - 8.7-11.2 HE2 LYS 12 - HG LEU 14 far 0 98 0 - 9.1-12.4 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 2.2-3.0 9881=86, 8407/2.1=58...(23) HA ARG 46 - QD1 LEU 42 far 0 89 0 - 6.8-7.2 HA LYS 66 - QD1 LEU 42 far 0 92 0 - 6.9-7.6 HA GLU 17 - QD1 LEU 14 far 0 61 0 - 7.2-8.0 HB2 SER 49 - QD1 LEU 42 far 0 65 0 - 8.3-9.9 Violated in 0 structures by 0.00 A. Peak 8412 from cnoeabs.peaks (4.10, 0.71, 24.35 ppm; 4.66 A increased from 4.38 A): 1 out of 1 assignment used, quality = 1.00: HA PRO 86 + QD2 LEU 14 OK 100 100 100 100 4.1-4.7 8411/2.1=95, 8407/2.1=90...(16) Violated in 1 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 2.9-3.3 12020=100, 3.0/6215=69...(22) HA ILE 15 - QD2 LEU 6 far 0 72 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 8414 from cnoeabs.peaks (2.99, 0.71, 24.35 ppm; 3.67 A): 1 out of 13 assignments used, quality = 1.00: HB2 SER 9 + QD2 LEU 14 OK 100 100 100 100 1.9-2.4 8324=78, 1.8/10408=55...(27) HB3 ASP 11 - QD2 LEU 14 far 15 99 15 - 3.6-5.0 HB2 PHE 45 - QD2 LEU 6 far 0 72 0 - 6.4-7.1 HE3 LYS 12 - QD2 LEU 14 far 0 91 0 - 6.5-9.8 HE2 LYS 12 - QD2 LEU 14 far 0 91 0 - 6.8-9.5 HB3 PHE 45 - QD2 LEU 6 far 0 62 0 - 6.9-7.5 HE2 LYS 33 - QD2 LEU 14 far 0 70 0 - 7.6-9.6 HE2 LYS 33 - QD2 LEU 6 far 0 43 0 - 7.7-9.5 HE3 LYS 33 - QD2 LEU 14 far 0 70 0 - 7.8-10.8 HE3 LYS 33 - QD2 LEU 6 far 0 43 0 - 7.9-9.5 HE3 LYS 13 - QD2 LEU 14 far 0 81 0 - 8.1-10.2 HE2 LYS 13 - QD2 LEU 14 far 0 84 0 - 8.3-10.2 HB2 SER 9 - QD2 LEU 6 far 0 72 0 - 9.1-9.6 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 = 1.00: HB2 ASP 11 + QD2 LEU 14 OK 100 100 100 100 3.5-4.8 8417/2.1=66...(19) HB3 TYR 4 + QD2 LEU 6 OK 33 55 70 86 4.7-5.1 ~8213=36, ~8143=27...(11) HG3 GLU 17 - QD2 LEU 14 far 0 100 0 - 6.0-7.7 HB3 MET 21 - QD2 LEU 14 far 0 70 0 - 9.1-9.9 HG3 MET 21 - QD2 LEU 14 far 0 71 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 8416 from cnoeabs.peaks (2.98, 0.68, 25.64 ppm; 4.70 A increased from 4.18 A): 2 out of 11 assignments used, quality = 1.00: HB2 SER 9 + QD1 LEU 14 OK 100 100 100 100 3.8-4.6 8414/2.1=94, 2.8/8403=67...(19) HB3 ASP 11 + QD1 LEU 14 OK 69 99 70 100 4.1-5.1 1.8/8417=72, 8432/3.1=65...(18) HB2 PHE 45 - QD1 LEU 42 far 0 97 0 - 5.4-5.7 HE3 LYS 73 - QD1 LEU 42 far 0 56 0 - 5.5-9.6 HE2 LYS 73 - QD1 LEU 42 far 0 65 0 - 6.4-9.7 HB3 PHE 45 - QD1 LEU 42 far 0 89 0 - 6.5-6.9 HE3 LYS 13 - QD1 LEU 14 far 0 84 0 - 6.9-9.6 HE2 LYS 13 - QD1 LEU 14 far 0 87 0 - 7.6-9.9 HE3 LYS 12 - QD1 LEU 14 far 0 93 0 - 8.5-11.4 HE2 LYS 12 - QD1 LEU 14 far 0 88 0 - 9.0-11.3 HE2 LYS 33 - QD1 LEU 14 far 0 65 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 8417 from cnoeabs.peaks (2.43, 0.68, 25.64 ppm; 5.00 A increased from 4.71 A): 1 out of 6 assignments used, quality = 1.00: HB2 ASP 11 + QD1 LEU 14 OK 100 100 100 100 4.1-4.7 8363/3.1=72, 8406/3.1=71...(18) HG3 GLU 17 - QD1 LEU 14 poor 20 100 20 - 5.2-7.0 HG2 GLN 72 - QD1 LEU 42 far 0 96 0 - 7.2-8.0 HB3 TYR 4 - QD1 LEU 42 far 0 71 0 - 8.5-9.0 HB3 MET 21 - QD1 LEU 14 far 0 79 0 - 9.4-10.1 HG3 MET 21 - QD1 LEU 14 far 0 81 0 - 9.6-10.2 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 5.0-5.4 8422/3.0=97, 9881/3.1=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 5.0-5.4 3.0/8370=98, 3.0/8406=94...(23) HA THR 84 - HB3 LEU 14 far 0 82 0 - 7.1-7.5 HA ILE 8 - HB3 LEU 14 far 0 100 0 - 7.9-8.6 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 3.0-3.5 9885=91, 8411/619=63...(16) HA PRO 86 - HA GLU 88 far 0 52 0 - 6.3-6.6 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 5 assignments used, quality = 1.00: HA SER 85 + QD1 LEU 14 OK 100 100 100 100 2.4-2.8 9867=97, 3.0/10413=63...(18) HA ILE 7 - QD1 LEU 14 far 0 100 0 - 6.5-6.9 HA VAL 54 - QD1 LEU 42 far 0 76 0 - 7.5-8.2 HA VAL 5 - QD1 LEU 42 far 0 77 0 - 8.7-9.3 HA ILE 7 - QD1 LEU 42 far 0 97 0 - 9.8-10.3 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 = 0.96: HA THR 84 + QD1 LEU 14 OK 96 98 100 98 3.8-3.9 3.6/10413=60...(7) HA ASP 11 - QD1 LEU 14 far 0 100 0 - 6.5-6.9 HA ILE 8 - QD1 LEU 14 far 0 92 0 - 7.4-7.7 HA ASP 77 - QD1 LEU 42 far 0 83 0 - 7.6-8.1 HA ILE 8 - QD1 LEU 42 far 0 86 0 - 9.9-10.4 HB THR 34 - QD1 LEU 42 far 0 96 0 - 10.0-10.3 Violated in 0 structures by 0.00 A. Peak 8426 from cnoeabs.peaks (4.59, 0.71, 24.35 ppm; 5.39 A): 2 out of 5 assignments used, quality = 1.00: HA THR 84 + QD2 LEU 14 OK 98 98 100 100 5.2-5.5 8425/2.1=94...(6) HA ILE 8 + QD2 LEU 14 OK 87 92 100 95 5.2-5.5 6102/6107=79...(6) HA ASP 11 - QD2 LEU 14 poor 20 100 20 - 5.5-6.1 HA ILE 8 - QD2 LEU 6 far 0 61 0 - 6.0-6.2 HB THR 34 - QD2 LEU 6 far 0 72 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 8427 from cnoeabs.peaks (5.13, 0.71, 24.35 ppm; 4.96 A): 3 out of 8 assignments used, quality = 1.00: HA ILE 7 + QD2 LEU 14 OK 99 100 100 99 4.7-5.2 239/10272=82...(9) HA VAL 5 + QD2 LEU 6 OK 39 60 65 100 4.9-5.4 8220/3.1=72, 6059/4.6=67...(10) HA SER 85 + QD2 LEU 14 OK 35 99 35 100 5.0-5.5 8424/2.1=89, ~10413=53...(12) HA ILE 7 - QD2 LEU 6 far 0 72 0 - 5.4-5.6 HA VAL 54 - QD2 LEU 6 far 0 46 0 - 6.2-6.7 HA TYR 4 - QD2 LEU 6 far 0 65 0 - 6.3-6.7 HA LEU 3 - QD2 LEU 6 far 0 72 0 - 9.3-9.7 HA VAL 5 - QD2 LEU 14 far 0 91 0 - 9.5-10.3 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 = 0.95: HG3 GLU 17 + HA LEU 14 OK 87 87 100 100 3.0-5.2 1.8/8477=87, 8478=82...(10) HB2 ASP 11 + HA LEU 14 OK 41 91 45 100 5.3-6.3 8418/3.0=79, 8363/3.0=71...(18) HD2 ARG 91 + HA GLU 88 OK 33 33 100 100 3.1-4.3 3.5/4034=69, 3.5/4024=68...(17) HG3 GLU 17 - HA GLU 88 far 0 42 0 - 9.4-10.9 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 7 assignments used, quality = 0.95: QG2 ILE 15 + HB3 LEU 14 OK 78 98 80 100 5.5-5.7 4.0/6212=87, 3.2/8458=71...(16) QD1 ILE 15 + HB3 LEU 14 OK 61 61 100 100 4.1-4.5 5.0/6212=73, 2.1/8465=67...(17) QG2 ILE 7 + HB3 LEU 14 OK 35 100 35 99 5.5-6.2 ~10272=56, ~10273=50...(13) QG2 ILE 8 - HB3 LEU 14 far 0 99 0 - 7.7-8.2 QD1 LEU 57 - HB3 LEU 14 far 0 77 0 - 7.9-8.9 QD1 ILE 93 - HB3 LEU 14 far 0 81 0 - 8.0-8.5 QD2 LEU 57 - HB3 LEU 14 far 0 100 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 8430 from cnoeabs.peaks (1.73, 1.90, 41.23 ppm; 5.39 A increased from 4.79 A): 2 out of 10 assignments used, quality = 1.00: HB ILE 15 + HB3 LEU 14 OK 100 100 100 100 4.9-5.2 6217/6212=98...(18) HG12 ILE 15 + HB3 LEU 14 OK 71 71 100 100 3.2-5.5 4.6/6212=78, 1.8/8465=70...(15) HG2 PRO 86 - HB3 LEU 14 far 0 70 0 - 5.9-7.3 HD3 LYS 12 - HB3 LEU 14 far 0 84 0 - 6.7-8.5 HD2 LYS 12 - HB3 LEU 14 far 0 84 0 - 6.8-9.3 HD2 LYS 13 - HB3 LEU 14 far 0 84 0 - 6.9-8.6 HD3 LYS 13 - HB3 LEU 14 far 0 87 0 - 7.3-8.7 HD3 LYS 90 - HB3 LEU 14 far 0 77 0 - 8.0-11.0 HG3 ARG 19 - HB3 LEU 14 far 0 70 0 - 8.3-9.3 HD2 LYS 90 - HB3 LEU 14 far 0 98 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 8431 from cnoeabs.peaks (2.43, 1.52, 41.23 ppm; 4.68 A): 1 out of 6 assignments used, quality = 1.00: HB2 ASP 11 + HB2 LEU 14 OK 100 100 100 100 3.4-4.4 8363=100, 1.8/8432=85...(15) HG3 GLU 17 - HB2 LEU 14 far 0 100 0 - 5.1-7.4 HB3 MET 21 - HB ILE 7 far 0 63 0 - 8.6-9.2 HB3 TYR 4 - HB ILE 7 far 0 68 0 - 9.2-9.7 HG3 GLU 17 - HB ILE 7 far 0 91 0 - 10.0-11.0 HB2 ASP 11 - HB ILE 7 far 0 91 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 8432 from cnoeabs.peaks (3.00, 1.52, 41.23 ppm; 4.38 A): 1 out of 12 assignments used, quality = 1.00: HB3 ASP 11 + HB2 LEU 14 OK 100 100 100 100 2.9-3.9 1.8/8363=72...(16) HB2 SER 9 - HB2 LEU 14 far 0 100 0 - 4.8-5.7 HB2 SER 9 - HB ILE 7 far 0 90 0 - 6.1-6.6 HE3 LYS 13 - HB2 LEU 14 far 0 59 0 - 6.4-9.1 HE2 LYS 13 - HB2 LEU 14 far 0 63 0 - 6.9-9.5 HE3 LYS 12 - HB2 LEU 14 far 0 73 0 - 8.3-11.4 HE2 LYS 12 - HB2 LEU 14 far 0 99 0 - 8.7-11.6 HE3 LYS 12 - HB ILE 7 far 0 61 0 - 8.9-13.3 HE3 LYS 33 - HB ILE 7 far 0 75 0 - 9.3-11.9 HE2 LYS 12 - HB ILE 7 far 0 88 0 - 9.3-13.5 HE2 LYS 33 - HB ILE 7 far 0 75 0 - 9.5-11.5 HB3 ASP 11 - HB ILE 7 far 0 91 0 - 9.8-11.1 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 4 assignments used, quality = 0.99: H ALA 89 + QD2 LEU 14 OK 99 99 100 100 5.2-5.9 8402/2.1=99, 8404/2.1=87...(9) HE ARG 19 - QD2 LEU 6 far 3 64 5 - 6.2-10.3 HE ARG 19 - QD2 LEU 14 far 0 95 0 - 7.0-9.7 H ARG 91 - QD2 LEU 14 far 0 68 0 - 8.3-9.2 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 4.0-4.4 6277=100, 6283/643=89...(12) H LEU 57 - HA ILE 15 far 0 71 0 - 8.8-9.0 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 ASP 11 + HG13 ILE 15 OK 99 100 100 100 3.8-5.6 10389/2.1=72...(11) H ALA 18 + HG13 ILE 15 OK 98 99 100 100 5.8-6.2 6263/639=93, 6264/676=72...(5) H ASN 10 + HG13 ILE 15 OK 85 85 100 100 4.9-5.8 ~8356=80, ~8449=77...(9) 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 3.1-4.2 8316/2.1=55...(9) H LYS 20 - QD1 ILE 15 far 0 100 0 - 8.3-8.8 HE ARG 30 - QD1 ILE 15 far 0 100 0 - 8.4-12.5 Violated in 0 structures by 0.00 A. Peak 8437 from cnoeabs.peaks (7.56, 0.76, 13.00 ppm; 5.73 A): 1 out of 1 assignment used, quality = 1.00: H LEU 14 + QD1 ILE 15 OK 100 100 100 100 4.3-4.9 6209/677=95...(13) 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 3.2-4.0 8380=100, 2.9/8381=98...(23) H VAL 58 - QD1 ILE 15 far 0 95 0 - 9.5-10.6 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 2.9-3.5 3.6/8356=73, 10389=72...(18) H ASN 10 + QD1 ILE 15 OK 85 85 100 100 3.9-4.3 3.0/8356=81, 4.6/8436=47...(13) H ALA 18 - QD1 ILE 15 far 0 99 0 - 6.4-6.7 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 4.7-5.0 6209/6217=99...(10) 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...(9) H GLU 88 - HA ILE 15 far 0 98 0 - 9.8-10.7 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 3.9-5.3 2.8/10417=84, ~8320=66...(18) 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 0 assignments used, quality = 0.00: Peak 8444 from cnoeabs.peaks (2.99, 0.75, 29.43 ppm; 4.74 A): 1 out of 8 assignments used, quality = 1.00: HB2 SER 9 + HG13 ILE 15 OK 100 100 100 100 2.3-4.0 8320/1.8=81, ~10417=51...(19) HB3 ASP 11 - HG13 ILE 15 poor 20 100 20 - 4.3-6.3 HE2 LYS 12 - HG13 ILE 15 far 5 94 5 - 4.8-8.4 HE3 LYS 12 - HG13 ILE 15 far 4 87 5 - 4.5-8.0 HE3 LYS 33 - HG13 ILE 15 far 0 75 0 - 6.0-9.9 HE2 LYS 33 - HG13 ILE 15 far 0 75 0 - 6.4-8.8 HE3 LYS 13 - HG13 ILE 15 far 0 75 0 - 8.3-11.6 HE2 LYS 13 - HG13 ILE 15 far 0 79 0 - 8.6-12.2 Violated in 0 structures by 0.00 A. Peak 8445 from cnoeabs.peaks (2.99, 0.76, 13.00 ppm; 4.38 A increased from 3.89 A): 4 out of 8 assignments used, quality = 1.00: HB2 SER 9 + QD1 ILE 15 OK 100 100 100 100 2.8-4.6 8320/2.1=67, 8444/2.1=65...(19) HB3 ASP 11 + QD1 ILE 15 OK 86 100 90 95 4.3-4.8 4.5/8380=46...(9) HE2 LYS 12 + QD1 ILE 15 OK 78 98 80 99 2.0-5.3 1.8/10393=67...(13) HE3 LYS 12 + QD1 ILE 15 OK 66 79 85 99 2.6-4.9 10393=55, 4.0/8468=53...(12) HE2 LYS 33 - QD1 ILE 15 poor 9 84 45 24 3.9-5.6 10392=8, 8729/8447=7...(4) HE3 LYS 33 - QD1 ILE 15 poor 6 84 30 22 3.6-6.7 1.8/10392=8, 8729/8447=6...(4) HE3 LYS 13 - QD1 ILE 15 far 0 65 0 - 7.0-9.5 HE2 LYS 13 - QD1 ILE 15 far 0 70 0 - 7.7-9.9 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 1.9-2.5 8381=99, 644/3.2=49...(20) HA ALA 89 - QD1 ILE 15 far 0 61 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 8447 from cnoeabs.peaks (4.24, 0.76, 13.00 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: HB THR 31 + QD1 ILE 15 OK 100 100 100 100 4.1-4.8 2.1/8467=97, ~10123=62...(11) 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 3.7-4.4 369/8380=90...(17) HA ILE 8 + QD1 ILE 15 OK 80 92 100 87 4.6-5.7 3.6/8436=78...(3) HA THR 84 - QD1 ILE 15 far 0 98 0 - 9.5-10.0 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 3.2-3.5 8356=100, 3.6/10389=42...(8) HA ARG 30 - QD1 ILE 15 far 0 88 0 - 8.2-8.8 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 3.6-4.9 8446/2.1=98, 644/2.9=85...(11) HA ALA 89 - HG13 ILE 15 far 0 71 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 8451 from cnoeabs.peaks (3.02, 3.26, 65.94 ppm; 5.91 A): 1 out of 5 assignments used, quality = 0.87: HB2 SER 9 + HA ILE 15 OK 87 87 100 100 4.4-5.4 8325/8261=65...(12) HE2 LYS 12 - HA ILE 15 far 5 99 5 - 6.0-9.7 HB3 ASP 11 - HA ILE 15 far 5 91 5 - 6.2-7.2 HE2 LYS 33 - HA ILE 15 far 0 100 0 - 8.4-10.3 HE3 LYS 33 - HA ILE 15 far 0 100 0 - 8.4-11.3 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 = 0.98: HA ARG 19 + HA ILE 15 OK 95 100 95 100 6.0-6.5 3.0/6277=95, 8511/643=90...(11) HA ALA 18 + HA ILE 15 OK 65 65 100 100 5.4-6.0 2.1/643=100, 2.9/6263=97...(11) Violated in 0 structures by 0.00 A. Peak 8453 from cnoeabs.peaks (4.06, 3.26, 65.94 ppm; 6.16 A): 2 out of 5 assignments used, quality = 0.99: HA GLU 16 + HA ILE 15 OK 99 99 100 100 4.8-4.8 8530/3.2=96...(20) HA PRO 86 + HA ILE 15 OK 25 70 50 71 6.1-6.7 8407/8409=31...(6) HA GLU 17 - HA ILE 15 far 0 100 0 - 6.6-6.9 HB3 SER 59 - HA ILE 15 far 0 93 0 - 8.7-10.3 HA LYS 20 - HA ILE 15 far 0 100 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 8454 from cnoeabs.peaks (4.06, 1.73, 37.98 ppm; 6.07 A): 1 out of 4 assignments used, quality = 0.99: HA GLU 16 + HB ILE 15 OK 99 99 100 100 4.2-4.4 3.0/6231=100...(15) HA GLU 17 - HB ILE 15 far 0 100 0 - 7.6-7.8 HA PRO 86 - HB ILE 15 far 0 70 0 - 8.3-8.6 HA LYS 20 - HB ILE 15 far 0 100 0 - 9.8-10.5 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 2 assignments used, quality = 1.00: QG2 THR 31 + HA ILE 15 OK 100 100 100 100 3.7-4.4 10123/3.2=91...(12) HB2 LEU 29 - HA ILE 15 far 0 97 0 - 8.5-9.3 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 3 assignments used, quality = 1.00: HG LEU 14 + HA ILE 15 OK 100 100 100 100 3.9-4.5 2.1/12020=98...(22) QB ALA 89 + HA ILE 15 OK 68 100 95 72 4.8-5.4 9940/6263=54...(4) HG12 ILE 8 - HA ILE 15 far 0 94 0 - 8.6-9.0 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: HB ILE 7 + HA ILE 15 OK 96 96 100 100 4.4-4.7 3.2/8459=95, 8276/643=75...(11) HB2 LEU 14 + HA ILE 15 OK 96 96 100 100 5.6-5.6 3.1/12020=97...(18) HG LEU 57 - HA ILE 15 far 0 63 0 - 7.7-8.8 HG3 LYS 33 - HA ILE 15 far 0 70 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 8458 from cnoeabs.peaks (1.91, 3.26, 65.94 ppm; 5.13 A): 1 out of 10 assignments used, quality = 0.99: HB3 LEU 14 + HA ILE 15 OK 99 99 100 100 4.3-4.5 6212/3.0=95...(21) HB3 ARG 19 - HA ILE 15 far 14 93 15 - 5.3-6.0 HB2 GLU 17 - HA ILE 15 far 0 75 0 - 6.5-6.8 HB2 ARG 19 - HA ILE 15 far 0 94 0 - 6.7-7.1 HB2 LYS 13 - HA ILE 15 far 0 100 0 - 7.4-7.7 HB3 LYS 13 - HA ILE 15 far 0 100 0 - 7.6-8.0 HB3 LYS 20 - HA ILE 15 far 0 87 0 - 8.2-10.3 HB ILE 8 - HA ILE 15 far 0 96 0 - 8.5-9.0 HB2 LYS 20 - HA ILE 15 far 0 91 0 - 9.1-10.2 HB VAL 32 - HA ILE 15 far 0 77 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 8459 from cnoeabs.peaks (0.63, 3.26, 65.94 ppm; 3.67 A): 1 out of 4 assignments used, quality = 0.97: QD1 ILE 7 + HA ILE 15 OK 97 97 100 100 1.9-2.3 8261=79, 8278/643=55...(19) QD2 LEU 29 - HA ILE 15 far 0 99 0 - 4.7-5.4 QD1 LEU 29 - HA ILE 15 far 0 93 0 - 4.8-5.6 QG2 ILE 56 - HA ILE 15 far 0 68 0 - 9.5-9.8 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 4.0-4.4 10123/2.1=90...(11) 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 3.3-4.4 8467/2.1=88...(12) HB2 LEU 29 - HG13 ILE 15 far 0 77 0 - 9.8-11.4 Violated in 2 structures by 0.00 A. Peak 8464 from cnoeabs.peaks (1.51, 0.75, 29.43 ppm; 5.55 A): 1 out of 6 assignments used, quality = 0.94: HB2 LEU 14 + HG13 ILE 15 OK 94 99 95 100 4.9-6.4 1.8/8465=87, 6211/669=78...(12) HB ILE 7 - HG13 ILE 15 far 5 99 5 - 4.7-6.3 HG3 LYS 33 - HG13 ILE 15 far 0 99 0 - 7.0-8.3 HG3 LYS 13 - HG13 ILE 15 far 0 96 0 - 7.4-9.6 HG2 LYS 33 - HG13 ILE 15 far 0 65 0 - 8.6-9.9 HG LEU 57 - HG13 ILE 15 far 0 99 0 - 9.2-10.3 Violated in 1 structures by 0.04 A. Peak 8465 from cnoeabs.peaks (1.88, 0.75, 29.43 ppm; 5.29 A): 1 out of 9 assignments used, quality = 0.88: HB3 LEU 14 + HG13 ILE 15 OK 88 88 100 100 3.2-4.7 6212/669=77, 1.8/8464=76...(15) HB2 LYS 12 - HG13 ILE 15 far 0 96 0 - 6.1-7.4 HB3 LYS 12 - HG13 ILE 15 far 0 98 0 - 6.4-7.8 HB2 LYS 13 - HG13 ILE 15 far 0 63 0 - 6.5-8.4 HB ILE 8 - HG13 ILE 15 far 0 96 0 - 7.3-8.4 HB3 LYS 13 - HG13 ILE 15 far 0 68 0 - 7.4-8.9 HB2 ARG 19 - HG13 ILE 15 far 0 98 0 - 8.3-9.2 HB3 LYS 33 - HG13 ILE 15 far 0 65 0 - 8.7-9.9 HB2 LYS 33 - HG13 ILE 15 far 0 61 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 8466 from cnoeabs.peaks (1.87, 0.76, 13.00 ppm; 4.46 A increased from 4.20 A): 3 out of 7 assignments used, quality = 1.00: HB2 LYS 12 + QD1 ILE 15 OK 94 99 95 100 4.0-4.8 3.0/8381=85, 3.0/8468=67...(19) HB3 LYS 12 + QD1 ILE 15 OK 89 99 90 100 4.2-4.9 3.0/8381=85, 3.0/8468=67...(19) HB3 LEU 14 + QD1 ILE 15 OK 80 81 100 99 4.1-4.5 6212/677=60, 8465/2.1=55...(18) HB3 LYS 13 - QD1 ILE 15 far 0 57 0 - 6.7-7.2 HB ILE 8 - QD1 ILE 15 far 0 91 0 - 6.7-7.9 HB2 ARG 19 - QD1 ILE 15 far 0 94 0 - 7.6-8.1 HB2 LYS 20 - QD1 ILE 15 far 0 96 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 8467 from cnoeabs.peaks (1.14, 0.76, 13.00 ppm; 3.50 A increased from 3.29 A): 1 out of 4 assignments used, quality = 0.99: QG2 THR 31 + QD1 ILE 15 OK 99 100 100 99 2.9-3.5 10123/680=72...(11) QG2 THR 34 - QD1 ILE 15 far 0 70 0 - 8.0-8.6 HB2 LEU 29 - QD1 ILE 15 far 0 93 0 - 9.8-10.6 HB2 LEU 6 - QD1 ILE 15 far 0 59 0 - 9.9-10.7 Violated in 1 structures by 0.00 A. Peak 8468 from cnoeabs.peaks (1.45, 0.76, 13.00 ppm; 4.26 A): 1 out of 6 assignments used, quality = 1.00: HG2 LYS 12 + QD1 ILE 15 OK 100 100 100 100 2.8-3.4 384/8381=75...(12) HG12 ILE 7 - QD1 ILE 15 far 0 90 0 - 6.1-6.6 HG2 LYS 13 - QD1 ILE 15 far 0 96 0 - 6.8-8.1 HG LEU 29 - QD1 ILE 15 far 0 99 0 - 7.9-9.0 QB ALA 22 - QD1 ILE 15 far 0 99 0 - 8.5-9.1 HG2 LYS 20 - QD1 ILE 15 far 0 99 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 8469 from cnoeabs.peaks (0.63, 0.76, 13.00 ppm; 4.27 A increased from 3.79 A): 1 out of 4 assignments used, quality = 0.99: QD1 ILE 7 + QD1 ILE 15 OK 99 99 100 100 3.5-4.1 8459/678=59, 8471/2.1=58...(16) QD2 LEU 29 - QD1 ILE 15 far 0 98 0 - 5.9-6.4 QD1 LEU 29 - QD1 ILE 15 far 0 87 0 - 6.5-7.4 QG2 ILE 56 - QD1 ILE 15 far 0 77 0 - 8.4-9.2 Violated in 0 structures by 0.00 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 2.4-3.0 8261/639=73...(17) QD2 LEU 29 - HG13 ILE 15 far 0 71 0 - 5.7-6.9 QG2 ILE 56 - HG13 ILE 15 far 0 99 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 8471 from cnoeabs.peaks (0.63, 1.69, 29.43 ppm; 4.92 A): 1 out of 23 assignments used, quality = 0.99: QD1 ILE 7 + HG12 ILE 15 OK 99 99 100 100 2.4-3.2 8469/2.1=88, 8459/4.1=71...(17) QD2 LEU 29 - HG12 ILE 15 far 0 98 0 - 5.4-6.8 QD2 LEU 29 - HD3 LYS 20 far 0 64 0 - 5.9-9.3 QD1 LEU 29 - HG12 ILE 15 far 0 87 0 - 6.1-7.0 QD1 ILE 7 - HD3 LYS 90 far 0 99 0 - 6.2-8.6 QD1 LEU 29 - HD3 LYS 20 far 0 53 0 - 6.5-8.9 QD1 ILE 7 - HD2 LYS 12 far 0 65 0 - 6.6-8.8 QD1 ILE 7 - HD3 LYS 12 far 0 65 0 - 6.8-8.8 QD2 LEU 29 - HD2 LYS 20 far 0 69 0 - 6.8-8.8 QD1 LEU 29 - HD2 LYS 20 far 0 58 0 - 7.1-8.7 QD1 ILE 7 - HD2 LYS 20 far 0 72 0 - 7.2-8.7 QD1 ILE 7 - HD3 LYS 20 far 0 66 0 - 7.5-9.7 QD1 LEU 29 - HD3 LYS 90 far 0 86 0 - 7.6-9.2 QD2 LEU 29 - HD3 LYS 12 far 0 63 0 - 7.8-11.1 QG2 VAL 54 - HD3 LYS 47 far 0 71 0 - 8.5-9.9 QD2 LEU 29 - HD2 LYS 12 far 0 63 0 - 8.6-9.9 QG2 ILE 56 - HG12 ILE 15 far 0 77 0 - 8.7-9.9 QD1 LEU 29 - HD3 LYS 12 far 0 52 0 - 8.8-12.2 QD2 LEU 29 - HD3 LYS 90 far 0 97 0 - 9.0-11.0 QD1 ILE 7 - HB3 ARG 91 far 0 88 0 - 9.0-10.7 QG2 VAL 54 - HD2 LYS 47 far 0 70 0 - 9.1-10.4 QD1 LEU 29 - HB3 ARG 91 far 0 74 0 - 9.6-10.2 QD1 LEU 29 - HD2 LYS 12 far 0 52 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 8477 from cnoeabs.peaks (3.68, 2.24, 36.00 ppm; 5.08 A): 1 out of 6 assignments used, quality = 0.99: HA LEU 14 + HG2 GLU 17 OK 99 100 100 99 3.7-5.1 8478/1.8=79, 593/748=67...(6) HA3 GLY 100 - HG2 GLU 99 poor 8 39 20 - 3.7-6.9 HA LYS 90 - HG2 GLU 17 far 0 99 0 - 6.7-8.3 HA3 GLY 100 - HG2 GLU 98 far 0 30 0 - 7.7-8.5 HA GLU 88 - HG2 GLU 17 far 0 94 0 - 9.0-11.1 HA LYS 90 - HG2 GLU 23 far 0 53 0 - 9.7-10.6 Violated in 1 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 3.0-5.2 8477/1.8=82, 593/3.0=67...(10) HA3 GLY 100 - HG3 GLU 99 far 10 67 15 - 3.6-7.2 HA LYS 90 - HG3 GLU 17 far 0 98 0 - 6.7-8.2 HA GLU 88 - HG3 GLU 17 far 0 88 0 - 9.4-10.9 HA LEU 42 - HG3 GLU 48 far 0 70 0 - 10.0-11.6 Violated in 2 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 = 0.87: HA LYS 13 + HG3 GLU 16 OK 77 88 100 87 2.7-4.0 493/3.0=61, 6226/6240=53...(5) HA GLU 23 + HG2 GLU 23 OK 45 45 100 100 3.5-3.8 4.2=100 HB2 SER 59 - HG2 GLU 63 far 0 82 0 - 4.8-6.6 HA GLU 62 - HG2 GLU 63 far 0 99 0 - 5.7-7.3 HA LYS 24 - HG2 GLU 23 far 0 32 0 - 6.2-6.6 HA LYS 47 - HG3 GLU 43 far 0 45 0 - 8.9-10.3 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 9 assignments used, quality = 0.99: QD1 ILE 93 + HA ALA 18 OK 99 100 100 100 1.9-2.2 10026=81, 10020/2.1=68...(19) HG13 ILE 93 - HA ALA 18 far 0 93 0 - 4.1-4.9 QG2 ILE 93 - HA ALA 18 far 0 98 0 - 4.4-4.7 QG1 VAL 5 - HA ALA 18 far 0 65 0 - 5.0-5.8 QG2 ILE 7 - HA ALA 18 far 0 65 0 - 5.6-6.1 QD2 LEU 57 - HA ALA 18 far 0 71 0 - 6.3-7.9 QD1 LEU 27 - HA ALA 18 far 0 100 0 - 7.6-8.4 HG13 ILE 15 - HA ALA 18 far 0 99 0 - 7.9-8.5 QD1 ILE 15 - HA ALA 18 far 0 100 0 - 8.3-8.7 Violated in 0 structures by 0.00 A. Peak 8481 from cnoeabs.peaks (0.65, 3.77, 54.96 ppm; 4.27 A): 2 out of 5 assignments used, quality = 1.00: QD1 LEU 29 + HA ALA 18 OK 99 100 100 99 3.5-3.9 8672/2.1=92, 8691/3.6=54...(9) QD1 ILE 7 + HA ALA 18 OK 69 77 90 99 4.1-5.8 8278/2.1=65, ~8283=41...(14) QD2 LEU 29 - HA ALA 18 far 0 99 0 - 5.0-5.7 QD1 LEU 14 - HA ALA 18 far 0 82 0 - 6.5-7.2 QD2 LEU 6 - HA ALA 18 far 0 65 0 - 9.8-10.3 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 = 0.98: QD1 ILE 93 + QB ALA 18 OK 96 100 100 96 1.8-2.4 10020=75, 8480/2.1=50...(13) QG2 ILE 7 + QB ALA 18 OK 36 75 55 88 2.9-3.4 3.0/8278=42, 8283=30...(13) HG13 ILE 93 - QB ALA 18 far 0 87 0 - 3.6-4.4 QG2 ILE 93 - QB ALA 18 far 0 95 0 - 4.2-4.8 QD2 LEU 57 - QB ALA 18 far 0 81 0 - 4.4-5.9 HG13 ILE 15 - QB ALA 18 far 0 98 0 - 4.7-5.4 QD1 ILE 15 - QB ALA 18 far 0 99 0 - 5.4-5.9 QD1 LEU 27 - QB ALA 18 far 0 100 0 - 6.8-7.4 QG2 ILE 8 - QB ALA 18 far 0 93 0 - 7.4-7.9 QG1 VAL 54 - QB ALA 18 far 0 100 0 - 7.7-8.4 QD1 LEU 6 - QB ALA 18 far 0 100 0 - 8.2-8.5 HG3 ARG 81 - QB ALA 18 far 0 81 0 - 8.4-10.3 QD2 LEU 27 - QB ALA 18 far 0 61 0 - 8.8-9.3 QD1 LEU 64 - QB ALA 18 far 0 84 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 8483 from cnoeabs.peaks (0.64, 1.23, 17.96 ppm; 2.86 A): 2 out of 5 assignments used, quality = 0.98: QD1 LEU 29 + QB ALA 18 OK 86 94 100 91 1.9-2.5 8672=61, 8691/6283=22...(15) QD1 ILE 7 + QB ALA 18 OK 84 96 90 97 1.8-3.2 8278=70, 3.0/8283=31...(18) QD2 LEU 29 - QB ALA 18 far 10 100 10 - 3.0-3.7 QG2 ILE 56 - QB ALA 18 far 0 65 0 - 7.4-7.8 QG2 VAL 54 - QB ALA 18 far 0 93 0 - 9.5-10.2 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: QB ALA 22 + QB ALA 18 OK 96 99 100 98 3.9-4.3 10327/10020=59...(12) HG12 ILE 7 + QB ALA 18 OK 89 90 100 100 3.2-3.6 2.1/8278=89, 3.2/8283=60...(11) HG LEU 29 + QB ALA 18 OK 38 99 40 97 4.1-4.6 2.1/12032=91, ~8481=25...(7) HG2 LYS 20 - QB ALA 18 far 0 99 0 - 5.2-7.8 HB2 LEU 27 - QB ALA 18 far 0 99 0 - 7.6-8.2 HG2 LYS 12 - QB ALA 18 far 0 100 0 - 8.2-9.4 HG2 LYS 13 - QB ALA 18 far 0 96 0 - 9.3-10.1 HG3 ARG 91 - QB ALA 18 far 0 100 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 8485 from cnoeabs.peaks (1.94, 1.23, 17.96 ppm; 4.88 A increased from 4.34 A): 2 out of 11 assignments used, quality = 1.00: HB2 GLU 17 + QB ALA 18 OK 100 100 100 100 4.4-4.8 742/2.9=75, ~6269=62...(12) HB3 ARG 19 + QB ALA 18 OK 98 98 100 100 4.3-4.8 6286/6283=91, 10440=84...(9) HB3 LEU 14 - QB ALA 18 far 0 59 0 - 5.4-5.9 HB3 LYS 20 - QB ALA 18 far 0 100 0 - 5.9-7.5 HB3 LYS 13 - QB ALA 18 far 0 82 0 - 7.8-8.3 HB2 LYS 13 - QB ALA 18 far 0 85 0 - 8.0-8.5 HB2 LYS 24 - QB ALA 18 far 0 91 0 - 8.2-8.8 HG3 GLU 88 - QB ALA 18 far 0 100 0 - 8.3-9.1 HB2 LYS 94 - QB ALA 18 far 0 93 0 - 8.4-10.2 HB VAL 32 - QB ALA 18 far 0 100 0 - 8.4-9.0 HB3 LYS 24 - QB ALA 18 far 0 91 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 8486 from cnoeabs.peaks (1.88, 1.23, 17.96 ppm; 5.61 A increased from 4.49 A): 3 out of 8 assignments used, quality = 1.00: HB2 ARG 19 + QB ALA 18 OK 95 95 100 100 5.2-5.4 3.9/6283=93, 10439=92...(9) HB VAL 5 + QB ALA 18 OK 91 97 100 94 5.0-5.6 8192/8672=86...(5) HB3 LEU 14 + QB ALA 18 OK 82 82 100 100 5.4-5.9 3.1/12013=90, ~6262=50...(11) HB2 LYS 20 - QB ALA 18 far 0 97 0 - 7.0-7.4 HB ILE 8 - QB ALA 18 far 0 92 0 - 7.5-8.3 HB3 LYS 13 - QB ALA 18 far 0 59 0 - 7.8-8.3 HB2 LYS 12 - QB ALA 18 far 0 99 0 - 8.3-8.7 HB3 LYS 12 - QB ALA 18 far 0 99 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 8487 from cnoeabs.peaks (1.72, 1.23, 17.96 ppm; 5.18 A increased from 4.88 A): 2 out of 13 assignments used, quality = 0.98: HB ILE 15 + QB ALA 18 OK 88 98 90 100 5.0-5.6 3.0/643=94, 6231/8472=54...(11) HG12 ILE 15 + QB ALA 18 OK 85 87 100 98 4.7-5.4 4.1/643=80, 8471/8278=57...(10) HD3 LYS 90 - QB ALA 18 poor 11 91 30 41 5.1-7.2 10433/10437=16...(5) HD2 LYS 90 - QB ALA 18 far 0 90 0 - 6.0-6.9 HG2 PRO 86 - QB ALA 18 far 0 85 0 - 7.3-7.8 HD3 LYS 12 - QB ALA 18 far 0 95 0 - 7.6-10.3 HB3 ARG 91 - QB ALA 18 far 0 68 0 - 8.1-8.5 HD2 LYS 24 - QB ALA 18 far 0 90 0 - 8.4-10.3 HD2 LYS 12 - QB ALA 18 far 0 95 0 - 8.4-9.9 HD3 LYS 24 - QB ALA 18 far 0 91 0 - 8.4-11.0 HD3 LYS 13 - QB ALA 18 far 0 96 0 - 8.5-10.9 HD2 LYS 13 - QB ALA 18 far 0 95 0 - 8.7-11.0 HB2 GLU 28 - QB ALA 18 far 0 85 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 8488 from cnoeabs.peaks (1.57, 1.23, 17.96 ppm; 4.81 A increased from 4.53 A): 1 out of 10 assignments used, quality = 0.95: HG2 ARG 19 + QB ALA 18 OK 95 96 100 99 3.8-5.0 6287/6283=72...(8) HG3 LYS 90 - QB ALA 18 far 5 96 5 - 4.9-5.7 HB3 LEU 29 - QB ALA 18 far 4 82 5 - 5.1-5.7 HB2 ARG 30 - QB ALA 18 far 0 70 0 - 8.3-8.7 HG3 ARG 30 - QB ALA 18 far 0 59 0 - 8.7-10.1 HG LEU 27 - QB ALA 18 far 0 79 0 - 9.0-9.8 HD3 LYS 94 - QB ALA 18 far 0 79 0 - 9.0-11.3 HG2 LYS 24 - QB ALA 18 far 0 95 0 - 9.2-11.2 HG3 LYS 12 - QB ALA 18 far 0 85 0 - 9.5-10.3 HG12 ILE 56 - QB ALA 18 far 0 61 0 - 9.7-10.2 Violated in 3 structures by 0.02 A. Peak 8489 from cnoeabs.peaks (1.81, 3.77, 54.96 ppm; 5.44 A): 2 out of 5 assignments used, quality = 1.00: HB ILE 93 + HA ALA 18 OK 100 100 100 100 4.4-5.0 3.2/8480=96, ~10020=69...(14) HB3 LYS 90 + HA ALA 18 OK 49 85 95 60 5.1-5.8 4.1/8497=30...(5) HB2 LYS 90 - HA ALA 18 far 5 100 5 - 5.7-6.2 HB3 LEU 57 - HA ALA 18 far 0 96 0 - 7.0-7.7 HB2 GLU 88 - HA ALA 18 far 0 100 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 8490 from cnoeabs.peaks (2.93, 3.77, 54.96 ppm; 5.48 A): 1 out of 7 assignments used, quality = 0.97: HG2 MET 21 + HA ALA 18 OK 97 97 100 100 3.8-5.0 3.0/770=94, 8545=79...(12) HE3 LYS 90 - HA ALA 18 far 5 99 5 - 5.7-6.6 HE2 LYS 20 - HA ALA 18 far 5 97 5 - 5.7-9.0 HE3 LYS 20 - HA ALA 18 far 0 98 0 - 6.4-9.1 HE3 LYS 24 - HA ALA 18 far 0 65 0 - 7.6-12.7 HE2 LYS 24 - HA ALA 18 far 0 65 0 - 8.8-12.5 HE3 LYS 12 - HA ALA 18 far 0 59 0 - 9.9-15.0 Violated in 0 structures by 0.00 A. Peak 8491 from cnoeabs.peaks (4.06, 1.23, 17.96 ppm; 4.86 A): 3 out of 5 assignments used, quality = 1.00: HA GLU 17 + QB ALA 18 OK 100 100 100 100 5.0-5.0 5.0=92, 8492/2.1=70...(13) HA GLU 16 + QB ALA 18 OK 98 99 100 100 4.7-5.1 6280/6283=84...(15) HA PRO 86 + QB ALA 18 OK 39 70 100 55 4.5-4.9 9854/10976=25...(6) HA LYS 20 - QB ALA 18 far 0 100 0 - 6.6-6.9 HB3 SER 59 - QB ALA 18 far 0 93 0 - 8.1-9.8 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...(13) HA PRO 86 - HA ALA 18 far 0 87 0 - 5.6-6.3 HA GLU 16 - HA ALA 18 far 0 91 0 - 6.3-6.7 HA LYS 20 - HA ALA 18 far 0 97 0 - 6.4-7.0 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 5.4-5.9 3.0/770=98, 3.0/6319=95...(10) Violated in 2 structures by 0.00 A. Peak 8494 from cnoeabs.peaks (8.07, 1.23, 17.96 ppm; 4.68 A increased from 4.40 A): 3 out of 4 assignments used, quality = 1.00: H GLU 17 + QB ALA 18 OK 100 100 100 100 4.4-4.6 6259/2.9=90...(11) H ILE 15 + QB ALA 18 OK 75 100 75 100 4.7-5.2 3.0/643=86...(11) H LYS 90 + QB ALA 18 OK 72 88 100 82 4.3-4.9 9942/10020=52...(7) H LYS 13 - QB ALA 18 far 0 100 0 - 7.9-8.3 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 4.4-5.0 8526=97, 6291/6283=97...(14) H SER 9 - QB ALA 18 far 0 95 0 - 6.7-7.3 HE ARG 30 - QB ALA 18 far 0 100 0 - 8.9-11.5 H GLU 28 - QB ALA 18 far 0 100 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 8496 from cnoeabs.peaks (7.70, 1.23, 17.96 ppm; 5.11 A): 1 out of 3 assignments used, quality = 0.94: H MET 21 + QB ALA 18 OK 94 94 100 100 4.6-5.1 8560=88, 6321/2.1=86...(11) H SER 85 - QB ALA 18 far 0 97 0 - 7.4-7.9 H ALA 25 - QB ALA 18 far 0 99 0 - 8.2-8.7 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 99 100 100 99 4.3-4.7 7415/12030=85...(6) H GLU 17 + HA ALA 18 OK 97 97 100 100 5.3-5.5 6266/2.9=95, 2.9/8492=78...(6) H GLU 16 - HA ALA 18 far 0 71 0 - 6.9-7.1 H ILE 15 - HA ALA 18 far 0 85 0 - 7.4-7.7 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 4.1-5.1 6291/3.6=94, 8526/2.1=88...(7) Violated in 0 structures by 0.00 A. Peak 8502 from cnoeabs.peaks (4.03, 3.18, 43.16 ppm; 4.90 A increased from 4.13 A): 2 out of 6 assignments used, quality = 0.99: HA GLU 16 + HD2 ARG 19 OK 93 98 95 100 2.3-5.5 798/3.6=73, 8503/3.0=66...(17) HA GLU 16 + HD3 ARG 19 OK 88 98 90 100 2.2-5.7 798/3.6=73, 8503/3.0=66...(17) HA LYS 20 - HD3 ARG 19 far 0 92 0 - 5.9-7.8 HA LYS 20 - HD2 ARG 19 far 0 92 0 - 6.1-7.9 HA GLU 17 - HD3 ARG 19 far 0 91 0 - 6.7-9.2 HA GLU 17 - HD2 ARG 19 far 0 91 0 - 6.7-9.1 Violated in 0 structures by 0.00 A. Peak 8503 from cnoeabs.peaks (4.04, 1.58, 27.71 ppm; 4.88 A increased from 4.59 A): 1 out of 4 assignments used, quality = 0.99: HA GLU 16 + HG2 ARG 19 OK 99 100 100 100 2.4-4.9 798/3.0=84, 6278/6287=70...(17) HA LEU 70 - HD2 LYS 66 far 0 77 0 - 6.0-8.5 HA LYS 20 - HG2 ARG 19 far 0 97 0 - 6.1-6.5 HA GLU 17 - HG2 ARG 19 far 0 96 0 - 6.2-8.5 Violated in 2 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 2.0-2.8 8685=66, 8674/3.0=39...(23) QD1 LEU 29 + HA ARG 19 OK 94 96 100 99 2.0-2.7 2.1/8685=52, 8691/3.0=30...(25) QD1 ILE 7 - HA ARG 19 far 0 95 0 - 5.1-6.9 QG2 ILE 56 - HA LYS 68 far 0 60 0 - 5.1-5.4 QG2 VAL 58 - HA LYS 68 far 0 60 0 - 7.3-8.0 QG2 VAL 54 - HA LYS 68 far 0 94 0 - 7.9-8.5 Violated in 0 structures by 0.00 A. Peak 8509 from cnoeabs.peaks (0.75, 3.81, 59.98 ppm; 3.59 A): 1 out of 17 assignments used, quality = 0.53: QG2 VAL 78 + HA LYS 68 OK 53 70 100 75 2.7-3.3 8182=27, 2.1/9687=21...(11) QD1 ILE 93 - HA ARG 19 far 0 96 0 - 4.1-4.9 QG1 VAL 78 - HA LYS 68 far 0 99 0 - 4.8-5.6 QG2 ILE 93 - HA ARG 19 far 0 100 0 - 5.1-5.9 QD1 LEU 64 - HA LYS 68 far 0 97 0 - 5.2-6.1 QG1 VAL 5 - HA ARG 19 far 0 81 0 - 5.4-6.5 QD2 LEU 42 - HA LYS 68 far 0 97 0 - 5.8-6.2 QG1 VAL 58 - HA LYS 68 far 0 69 0 - 6.6-6.8 QG1 VAL 54 - HA LYS 68 far 0 99 0 - 7.0-7.5 HG13 ILE 93 - HA ARG 19 far 0 99 0 - 7.3-7.9 QD1 LEU 6 - HA LYS 68 far 0 95 0 - 7.3-7.8 QD1 LEU 27 - HA ARG 19 far 0 97 0 - 7.5-8.4 QD1 ILE 15 - HA ARG 19 far 0 100 0 - 7.7-8.4 HG13 ILE 15 - HA ARG 19 far 0 100 0 - 7.7-8.9 QD2 LEU 27 - HA ARG 19 far 0 85 0 - 9.1-9.7 QG1 VAL 54 - HA ARG 19 far 0 100 0 - 9.7-10.7 QG2 ILE 8 - HA LYS 68 far 0 72 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 8510 from cnoeabs.peaks (0.97, 3.81, 59.98 ppm; 4.24 A): 1 out of 4 assignments used, quality = 0.97: QG2 THR 80 + HA LYS 68 OK 97 97 100 100 2.8-3.5 9529/2.9=65, 9732/4.9=49...(19) QG2 VAL 5 - HA ARG 19 far 0 91 0 - 6.2-7.0 HB2 ARG 81 - HA LYS 68 far 0 67 0 - 9.6-11.3 QG2 VAL 83 - HA ARG 19 far 0 100 0 - 9.8-10.2 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 2 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...(18) HB2 LEU 6 - HA LYS 68 far 0 58 0 - 8.7-9.2 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 3 assignments used, quality = 1.00: HB2 LEU 29 + HA ARG 19 OK 100 100 100 100 3.9-4.5 3.1/8685=86, 1.8/781=49...(15) QG2 THR 31 + HA ARG 19 OK 38 95 45 89 5.1-5.6 8731/8685=79...(5) HB2 LEU 6 - HA LYS 68 far 0 89 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 8513 from cnoeabs.peaks (2.50, 3.81, 59.98 ppm; 5.56 A): 2 out of 3 assignments used, quality = 0.99: HG3 GLU 23 + HA ARG 19 OK 98 99 100 99 4.3-4.9 12338=93, 10459/787=55...(6) HG3 GLN 72 + HA LYS 68 OK 60 60 100 99 3.7-4.1 1.8/12325=60...(16) HG2 MET 74 - HA LYS 68 far 0 80 0 - 8.7-9.5 Violated in 0 structures by 0.00 A. Peak 8514 from cnoeabs.peaks (0.80, 1.89, 29.57 ppm; 4.87 A increased from 4.58 A): 1 out of 14 assignments used, quality = 0.98: QG2 ILE 15 + HB2 ARG 19 OK 98 99 100 99 4.5-4.9 10415/789=63...(11) QD2 LEU 103 - HB3 GLU 104 far 0 42 0 - 5.6-7.5 QD1 ILE 76 - HB2 GLU 43 far 0 62 0 - 5.8-6.4 QG2 ILE 7 - HB2 ARG 19 far 0 100 0 - 5.9-6.6 QD1 ILE 93 - HB2 ARG 19 far 0 75 0 - 6.1-6.9 QD2 LEU 42 - HB2 GLU 43 far 0 36 0 - 7.3-7.4 QD1 LEU 6 - HB2 GLU 43 far 0 41 0 - 8.7-9.0 QD2 LEU 70 - HB2 GLU 43 far 0 61 0 - 9.0-9.9 QG2 ILE 52 - HB2 GLU 43 far 0 50 0 - 9.1-9.5 QD1 LEU 27 - HB2 ARG 19 far 0 73 0 - 9.2-10.2 QG1 VAL 54 - HB2 GLU 43 far 0 30 0 - 9.7-10.4 QG2 ILE 52 - HB3 GLU 104 far 0 46 0 - 9.7-17.2 QD1 LEU 70 - HB2 GLU 43 far 0 56 0 - 9.9-10.7 QD2 LEU 57 - HB2 ARG 19 far 0 100 0 - 9.9-12.0 Violated in 1 structures by 0.00 A. Peak 8515 from cnoeabs.peaks (0.65, 1.89, 29.57 ppm; 4.14 A): 2 out of 6 assignments used, quality = 1.00: QD2 LEU 29 + HB2 ARG 19 OK 100 100 100 100 3.0-4.0 8674=95, 8685/3.0=70...(25) QD1 LEU 29 + HB2 ARG 19 OK 65 100 65 100 4.1-4.9 2.1/8674=77...(23) QD1 ILE 7 - HB2 ARG 19 far 0 82 0 - 6.3-7.7 QG2 VAL 54 - HB2 GLU 43 far 0 61 0 - 8.8-9.2 QD2 LEU 6 - HB2 ARG 19 far 0 59 0 - 8.9-9.9 QD2 LEU 6 - HB2 GLU 43 far 0 30 0 - 9.5-9.9 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 12 assignments used, quality = 0.99: QG2 ILE 15 + HB3 ARG 19 OK 99 99 100 99 3.6-4.2 8530/798=64...(12) QG2 ILE 7 - HB3 ARG 19 far 0 100 0 - 5.4-6.2 QD1 ILE 76 - HB2 GLU 43 far 0 47 0 - 5.8-6.4 QD1 ILE 93 - HB3 ARG 19 far 0 75 0 - 5.8-6.5 QD2 LEU 42 - HB2 GLU 43 far 0 27 0 - 7.3-7.4 QD1 LEU 6 - HB2 GLU 43 far 0 30 0 - 8.7-9.0 QD2 LEU 70 - HB2 GLU 43 far 0 46 0 - 9.0-9.9 QG2 ILE 52 - HB2 GLU 43 far 0 37 0 - 9.1-9.5 QG1 VAL 54 - HB2 GLU 43 far 0 22 0 - 9.7-10.4 QD2 LEU 57 - HB3 ARG 19 far 0 100 0 - 9.7-11.7 QD1 LEU 70 - HB2 GLU 43 far 0 42 0 - 9.9-10.7 QD1 LEU 27 - HB3 ARG 19 far 0 73 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 8517 from cnoeabs.peaks (0.65, 1.93, 29.57 ppm; 4.38 A increased from 4.12 A): 2 out of 7 assignments used, quality = 1.00: QD2 LEU 29 + HB3 ARG 19 OK 100 100 100 100 3.9-4.4 8674/1.8=91, 8685/3.0=76...(24) QD1 LEU 29 + HB3 ARG 19 OK 70 100 70 100 4.2-5.0 8691/6286=62, ~8674=61...(21) QD1 ILE 7 - HB3 ARG 19 far 0 82 0 - 5.5-7.1 QG2 VAL 54 - HB2 GLU 43 far 0 46 0 - 8.8-9.2 QD1 LEU 14 - HB3 ARG 19 far 0 77 0 - 9.1-9.8 QD2 LEU 6 - HB3 ARG 19 far 0 59 0 - 9.4-10.3 QD2 LEU 6 - HB2 GLU 43 far 0 22 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 8518 from cnoeabs.peaks (0.66, 1.58, 27.71 ppm; 3.72 A): 2 out of 6 assignments used, quality = 0.94: QD2 LEU 29 + HG2 ARG 19 OK 91 92 100 100 1.9-3.7 8673/1.8=65, 8674/3.0=50...(20) QD1 LEU 29 + HG2 ARG 19 OK 34 99 35 99 3.5-4.7 10499/1.8=46, ~8673=45...(19) QD2 LEU 6 - HG2 ARG 19 far 0 87 0 - 7.2-9.2 QD1 LEU 42 - HD2 LYS 66 far 0 67 0 - 7.6-10.1 QD1 LEU 14 - HG2 ARG 19 far 0 96 0 - 8.5-10.4 QG2 VAL 58 - HD2 LYS 66 far 0 82 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 8519 from cnoeabs.peaks (0.80, 1.76, 27.71 ppm; 4.32 A): 2 out of 11 assignments used, quality = 0.99: QG2 ILE 15 + HG3 ARG 19 OK 96 97 100 99 2.4-3.3 8516/3.0=58, 8514/3.0=53...(10) QG2 ILE 7 + HG3 ARG 19 OK 78 100 100 78 3.5-4.1 10501/8673=51...(6) QD1 ILE 93 - HG3 ARG 19 far 0 84 0 - 5.2-6.2 QD1 ILE 15 - HG3 ARG 19 far 0 65 0 - 5.7-6.5 QD2 LEU 57 - HG3 ARG 19 far 0 100 0 - 8.1-10.4 QG2 VAL 32 - HG3 ARG 19 far 0 65 0 - 8.3-9.4 QD1 LEU 27 - HG3 ARG 19 far 0 82 0 - 9.1-10.4 QD1 LEU 57 - HG3 ARG 19 far 0 73 0 - 9.4-9.9 QD1 LEU 6 - HG3 ARG 19 far 0 85 0 - 9.6-10.9 QG1 VAL 54 - HG3 ARG 19 far 0 70 0 - 9.6-11.5 QD2 LEU 38 - HG3 ARG 19 far 0 82 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 8520 from cnoeabs.peaks (0.64, 1.76, 27.71 ppm; 3.77 A): 2 out of 4 assignments used, quality = 1.00: QD2 LEU 29 + HG3 ARG 19 OK 100 100 100 100 1.9-2.9 8673=100, 8674/3.0=57...(21) QD1 LEU 29 + HG3 ARG 19 OK 93 99 95 100 2.7-4.1 2.1/8673=70, 10499=46...(19) QD1 ILE 7 - HG3 ARG 19 far 4 90 5 - 4.0-5.5 QD1 LEU 14 - HG3 ARG 19 far 0 68 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 8521 from cnoeabs.peaks (0.80, 3.18, 43.16 ppm; 3.96 A): 3 out of 19 assignments used, quality = 1.00: QG2 ILE 15 + HD3 ARG 19 OK 95 97 100 98 1.9-4.2 8516/3.6=44, 8514/3.6=39...(14) QG2 ILE 15 + HD2 ARG 19 OK 94 97 100 97 1.9-4.0 8516/3.6=44, 8514/3.6=39...(12) QG2 ILE 7 + HD2 ARG 19 OK 20 100 30 67 3.8-5.8 8519/3.0=23, 8245/6.3=20...(7) QG2 ILE 7 - HD3 ARG 19 far 5 100 5 - 4.2-5.9 QD1 ILE 15 - HD2 ARG 19 far 0 65 0 - 4.8-7.0 QD1 ILE 15 - HD3 ARG 19 far 0 65 0 - 4.9-7.3 QD1 ILE 93 - HD3 ARG 19 far 0 84 0 - 6.7-8.1 QD1 ILE 93 - HD2 ARG 19 far 0 84 0 - 6.9-8.2 QG2 VAL 32 - HD2 ARG 19 far 0 65 0 - 7.9-9.8 QG2 VAL 32 - HD3 ARG 19 far 0 65 0 - 8.0-10.6 QD1 LEU 6 - HD3 ARG 19 far 0 85 0 - 9.5-12.3 QD2 LEU 57 - HD2 ARG 19 far 0 100 0 - 9.6-12.1 QD1 LEU 27 - HD2 ARG 19 far 0 82 0 - 9.6-11.8 QD1 LEU 6 - HD2 ARG 19 far 0 85 0 - 9.7-11.5 QG2 ILE 8 - HD2 ARG 19 far 0 99 0 - 9.8-11.9 QD1 LEU 27 - HD3 ARG 19 far 0 82 0 - 9.8-12.1 QG2 ILE 8 - HD3 ARG 19 far 0 99 0 - 9.9-12.0 QG1 VAL 54 - HD3 ARG 19 far 0 70 0 - 9.9-13.2 QD2 LEU 38 - HD2 ARG 19 far 0 82 0 - 9.9-11.7 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 2.0-3.8 8673/3.0=66, 8674/3.6=58...(24) QD2 LEU 29 + HD3 ARG 19 OK 95 100 95 100 2.2-4.6 8673/3.0=66, 8674/3.6=58...(23) QD1 LEU 29 - HD3 ARG 19 far 15 99 15 - 4.3-6.1 QD1 LEU 29 - HD2 ARG 19 far 10 99 10 - 3.8-5.7 QD1 ILE 7 - HD2 ARG 19 far 0 90 0 - 4.9-7.5 QD1 ILE 7 - HD3 ARG 19 far 0 90 0 - 5.1-6.8 QD1 LEU 14 - HD2 ARG 19 far 0 68 0 - 8.5-11.1 QD1 LEU 14 - HD3 ARG 19 far 0 68 0 - 8.9-11.0 Violated in 0 structures by 0.00 A. Peak 8523 from cnoeabs.peaks (1.44, 3.18, 43.16 ppm; 6.50 A increased from 5.47 A): 4 out of 13 assignments used, quality = 1.00: QB ALA 22 + HD2 ARG 19 OK 99 99 100 100 4.7-6.6 10456/3.0=94...(6) QB ALA 22 + HD3 ARG 19 OK 99 99 100 100 5.0-6.6 10456/3.0=94...(6) HG LEU 29 + HD2 ARG 19 OK 89 99 90 100 4.7-6.9 ~8673=86, ~10499=76...(13) HG LEU 29 + HD3 ARG 19 OK 50 99 50 100 4.8-7.9 ~8673=86, ~10499=76...(13) HG2 LYS 20 - HD3 ARG 19 poor 14 97 35 40 6.1-8.7 6309/6305=34, 10461/8525=6 HG2 LYS 12 - HD3 ARG 19 far 10 100 10 - 6.0-9.6 HG2 LYS 12 - HD2 ARG 19 far 10 100 10 - 6.3-9.8 HG2 LYS 20 - HD2 ARG 19 far 0 97 0 - 7.1-8.8 HG12 ILE 7 - HD2 ARG 19 far 0 93 0 - 7.7-9.9 HG12 ILE 7 - HD3 ARG 19 far 0 93 0 - 8.2-9.9 HB2 LEU 27 - HD2 ARG 19 far 0 97 0 - 9.4-11.8 HB2 LEU 27 - HD3 ARG 19 far 0 97 0 - 9.7-12.2 HG2 LYS 13 - HD3 ARG 19 far 0 98 0 - 9.7-14.7 Violated in 0 structures by 0.00 A. Peak 8524 from cnoeabs.peaks (1.14, 3.18, 43.16 ppm; 5.81 A): 2 out of 4 assignments used, quality = 0.99: QG2 THR 31 + HD2 ARG 19 OK 90 100 100 90 2.2-4.4 8731/8522=48...(6) QG2 THR 31 + HD3 ARG 19 OK 89 100 100 89 2.4-4.8 10123/10120=46...(5) HB2 LEU 29 - HD3 ARG 19 far 13 90 15 - 5.9-8.6 HB2 LEU 29 - HD2 ARG 19 far 9 90 10 - 5.3-7.9 Violated in 0 structures by 0.00 A. Peak 8525 from cnoeabs.peaks (2.14, 3.18, 43.16 ppm; 6.50 A increased from 5.99 A): 2 out of 10 assignments used, quality = 0.68: HB3 GLU 16 + HD3 ARG 19 OK 48 81 60 99 4.5-8.1 ~8503=64, 3.0/8502=46...(12) HB3 GLU 16 + HD2 ARG 19 OK 40 81 50 98 4.8-7.9 ~8503=64, 3.0/8502=49...(11) HB3 GLU 23 - HD2 ARG 19 far 0 96 0 - 7.4-9.9 HB3 GLU 23 - HD3 ARG 19 far 0 96 0 - 7.6-9.9 HB2 PRO 86 - HD2 ARG 19 far 0 94 0 - 9.0-12.2 HB2 PRO 86 - HD3 ARG 19 far 0 94 0 - 9.0-12.1 QE MET 21 - HD2 ARG 19 far 0 59 0 - 9.5-11.1 QE MET 21 - HD3 ARG 19 far 0 59 0 - 9.7-10.8 HB3 PRO 86 - HD3 ARG 19 far 0 71 0 - 9.8-12.7 HB3 PRO 86 - HD2 ARG 19 far 0 71 0 - 9.9-12.7 Violated in 4 structures by 0.00 A. Peak 8529 from cnoeabs.peaks (3.18, 4.04, 59.03 ppm; 4.98 A increased from 4.43 A): 2 out of 7 assignments used, quality = 0.99: HD2 ARG 19 + HA GLU 16 OK 95 100 95 100 2.3-5.5 3.6/798=79, 3.0/8503=68...(17) HD3 ARG 19 + HA GLU 16 OK 90 100 90 100 2.2-5.7 3.6/798=79, 3.0/8503=68...(17) HD3 ARG 19 - HA LYS 20 far 0 81 0 - 5.9-7.8 HD2 ARG 19 - HA LYS 20 far 0 81 0 - 6.1-7.9 HD3 ARG 19 - HA GLU 17 far 0 55 0 - 6.7-9.2 HD2 ARG 19 - HA GLU 17 far 0 55 0 - 6.7-9.1 HB3 TRP 92 - HA GLU 95 far 0 41 0 - 7.4-7.8 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 18 assignments used, quality = 0.98: QG2 ILE 15 + HA GLU 16 OK 98 98 100 100 3.1-3.7 10122=73, 660/3.0=58...(24) QD2 LEU 103 - HA GLU 95 far 0 32 0 - 5.5-15.5 QD1 ILE 93 - HA GLU 17 far 0 38 0 - 5.5-6.0 QD1 ILE 15 - HA GLU 16 far 0 61 0 - 5.7-5.9 QG2 ILE 7 - HA GLU 16 far 0 100 0 - 5.9-6.2 QD1 ILE 93 - HA LYS 20 far 0 58 0 - 6.2-7.2 QD1 LEU 27 - HA GLU 95 far 0 32 0 - 6.4-7.3 QG2 ILE 15 - HA GLU 17 far 0 52 0 - 6.6-6.8 QD1 ILE 93 - HA GLU 16 far 0 81 0 - 6.8-7.6 QG2 ILE 15 - HA LYS 20 far 0 76 0 - 7.4-7.9 QG2 ILE 7 - HA GLU 17 far 0 55 0 - 7.9-8.3 QD1 ILE 93 - HA GLU 95 far 0 33 0 - 8.2-8.9 QD1 ILE 15 - HA GLU 17 far 0 27 0 - 8.4-8.6 QG2 ILE 7 - HA LYS 20 far 0 81 0 - 8.8-9.3 QD2 LEU 57 - HA GLU 95 far 0 48 0 - 9.0-9.6 QD1 LEU 27 - HA LYS 20 far 0 57 0 - 9.1-9.7 QD1 LEU 57 - HA GLU 95 far 0 31 0 - 9.2-9.8 QD1 LEU 57 - HA GLU 17 far 0 36 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 8532 from cnoeabs.peaks (8.27, 4.41, 57.01 ppm; 5.30 A): 1 out of 4 assignments used, quality = 0.99: H GLU 23 + HA MET 21 OK 99 99 100 100 4.3-4.6 6360=99, 6354/3.6=90...(9) H LYS 94 - HA MET 21 far 0 100 0 - 6.2-7.2 H LEU 103 - HA HIS 106 far 0 89 0 - 7.3-11.3 H LEU 27 - HA MET 21 far 0 84 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 8533 from cnoeabs.peaks (8.27, 2.40, 32.03 ppm; 5.36 A): 2 out of 6 assignments used, quality = 1.00: H LYS 94 + HB3 MET 21 OK 99 99 100 100 4.1-4.9 10034=95, 7508/10013=79...(9) H GLU 23 + HB3 MET 21 OK 99 100 100 99 5.2-5.4 6354/4.6=78, 6360/3.0=74...(5) H LYS 94 - HG3 MET 21 far 0 97 0 - 5.7-6.7 H GLU 23 - HG3 MET 21 far 0 98 0 - 6.4-6.7 H LEU 27 - HB3 MET 21 far 0 75 0 - 7.4-7.9 H LEU 27 - HG3 MET 21 far 0 71 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 8534 from cnoeabs.peaks (8.27, 2.94, 31.91 ppm; 5.33 A increased from 4.74 A): 1 out of 3 assignments used, quality = 1.00: H LYS 94 + HG2 MET 21 OK 100 100 100 100 4.3-5.2 8536/997=85...(10) H GLU 23 - HG2 MET 21 far 0 99 0 - 7.1-7.3 H LEU 27 - HG2 MET 21 far 0 84 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 8535 from cnoeabs.peaks (8.37, 2.10, 17.93 ppm; 4.64 A): 2 out of 3 assignments used, quality = 0.99: H ILE 93 + QE MET 21 OK 97 99 100 98 4.0-4.8 7498/8536=65...(9) H GLU 95 + QE MET 21 OK 62 97 65 99 4.4-5.0 4.6/995=71, 7528/8536=68...(8) H TYR 4 - QE MET 21 far 0 97 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 8536 from cnoeabs.peaks (8.26, 2.10, 17.93 ppm; 3.91 A): 1 out of 3 assignments used, quality = 0.99: H LYS 94 + QE MET 21 OK 99 100 100 100 2.4-3.2 7509/995=80...(16) H GLU 23 - QE MET 21 far 0 93 0 - 5.0-5.2 H LEU 27 - QE MET 21 far 0 96 0 - 5.9-6.6 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 - 5.7-6.3 H GLU 17 - QE MET 21 far 0 99 0 - 8.7-9.5 Violated in 20 structures by 1.30 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 3.9-4.2 6397/8612=81...(11) H GLU 88 - QE MET 21 far 0 100 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 8539 from cnoeabs.peaks (7.48, 2.10, 17.93 ppm; 6.09 A increased from 5.13 A): 1 out of 3 assignments used, quality = 0.99: H ARG 91 + QE MET 21 OK 99 99 100 100 5.3-5.9 3.6/8543=93...(10) HD22 ASN 26 - QE MET 21 far 0 99 0 - 6.9-8.9 HE ARG 19 - QE MET 21 far 0 84 0 - 8.8-11.5 Violated in 0 structures by 0.00 A. Peak 8540 from cnoeabs.peaks (4.07, 2.10, 17.93 ppm; 5.65 A increased from 4.52 A): 1 out of 5 assignments used, quality = 0.79: HA LYS 24 + QE MET 21 OK 79 79 100 100 5.1-5.4 3.6/8612=84, 4.8/8551=82...(7) HA LYS 20 - QE MET 21 far 0 92 0 - 6.2-6.6 HA GLU 17 - QE MET 21 far 0 93 0 - 6.9-7.9 HA PRO 86 - QE MET 21 far 0 94 0 - 8.7-9.4 HA GLU 16 - QE MET 21 far 0 82 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 8541 from cnoeabs.peaks (3.86, 2.10, 17.93 ppm; 3.71 A): 2 out of 5 assignments used, quality = 1.00: HA LYS 94 + QE MET 21 OK 98 99 100 99 2.5-3.1 3.0/995=79, 3.0/8536=53...(17) HA ALA 22 + QE MET 21 OK 74 77 100 96 3.5-3.8 3.0/6351=50...(16) HA ARG 91 - QE MET 21 far 0 75 0 - 4.4-5.3 HA3 GLY 101 - QE MET 21 far 0 65 0 - 9.6-13.4 HA2 GLY 101 - QE MET 21 far 0 99 0 - 9.8-14.0 Violated in 0 structures by 0.00 A. Peak 8542 from cnoeabs.peaks (3.79, 2.10, 17.93 ppm; 4.33 A): 1 out of 4 assignments used, quality = 0.73: HA ALA 22 + QE MET 21 OK 73 73 100 99 3.5-3.8 3.0/6351=66...(18) HA ALA 18 - QE MET 21 far 0 93 0 - 4.9-5.6 HA SER 97 - QE MET 21 far 0 90 0 - 6.2-7.5 HA ARG 19 - QE MET 21 far 0 96 0 - 6.6-7.2 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 2 assignments used, quality = 0.99: HA LYS 90 + QE MET 21 OK 99 100 100 100 3.3-4.0 10312=72, 3920/997=59...(22) HA GLU 88 - QE MET 21 far 0 100 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 8545 from cnoeabs.peaks (3.80, 2.94, 31.91 ppm; 4.91 A): 1 out of 3 assignments used, quality = 0.87: HA ALA 18 + HG2 MET 21 OK 87 87 100 100 3.8-5.0 770/3.0=70, 6321/6335=63...(12) HA ALA 22 - HG2 MET 21 far 0 82 0 - 6.2-6.6 HA ARG 19 - HG2 MET 21 far 0 99 0 - 7.3-8.4 Violated in 1 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 2.0-2.7 3920=99, 9948/3.0=67...(21) HA GLU 88 - HG2 MET 21 far 0 100 0 - 8.1-8.6 HA LEU 14 - HG2 MET 21 far 0 92 0 - 8.6-10.2 Violated in 0 structures by 0.00 A. Peak 8547 from cnoeabs.peaks (3.79, 2.40, 31.91 ppm; 4.95 A): 3 out of 7 assignments used, quality = 0.99: HA ALA 18 + HB3 MET 21 OK 89 89 100 100 3.6-4.3 770/1.8=89, 8545/3.0=67...(11) HA ALA 18 + HG3 MET 21 OK 79 93 85 100 4.6-5.4 8545/1.8=81, 770/3.0=77...(11) HA ALA 22 + HB3 MET 21 OK 69 69 100 100 3.8-3.9 2.1/12043=70, ~6347=67...(17) HA ARG 19 - HB3 MET 21 far 0 93 0 - 5.8-6.7 HA ALA 22 - HG3 MET 21 far 0 73 0 - 6.2-6.6 HA ARG 19 - HG3 MET 21 far 0 96 0 - 7.5-8.0 HA SER 97 - HB3 MET 21 far 0 85 0 - 8.9-9.9 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 3.6-4.3 3920/1.8=92, 9948/3.0=74...(23) HA LYS 90 + HB3 MET 21 OK 98 98 100 100 3.1-3.3 9948/1.8=90, 3920/3.0=75...(22) HA LEU 14 - HG3 MET 21 far 0 99 0 - 9.3-10.2 HA GLU 88 - HG3 MET 21 far 0 98 0 - 9.5-10.1 HA GLU 88 - HB3 MET 21 far 0 94 0 - 9.6-10.0 HA LEU 14 - HB3 MET 21 far 0 96 0 - 10.0-10.7 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 2.8-3.4 9948=100, 3920/3.0=79...(20) HA LYS 90 + HB3 LYS 94 OK 28 53 55 96 4.4-5.7 8543/995=84...(5) HA GLU 88 - HB3 LYS 94 far 0 51 0 - 8.3-9.6 HA LEU 14 - HB2 MET 21 far 0 96 0 - 8.5-9.2 HA GLU 88 - HB2 MET 21 far 0 99 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 8551 from cnoeabs.peaks (1.32, 2.10, 17.93 ppm; 3.18 A): 1 out of 6 assignments used, quality = 0.86: QB ALA 25 + QE MET 21 OK 86 96 100 90 2.2-3.0 8624=44, 2.9/8612=33...(12) HG2 LYS 94 - QE MET 21 far 0 96 0 - 4.0-4.9 HG2 LYS 90 - QE MET 21 far 0 65 0 - 5.1-5.8 QB ALA 89 - QE MET 21 far 0 96 0 - 5.8-6.3 HB3 LEU 27 - QE MET 21 far 0 91 0 - 6.8-7.8 HG LEU 14 - QE MET 21 far 0 82 0 - 9.8-10.3 Violated in 0 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 99 100 100 100 1.9-2.7 10319=64, 7508/8536=36...(23) QD1 ILE 93 + QE MET 21 OK 77 98 80 98 3.0-3.8 3.1/10319=42, 10318=41...(18) QD1 LEU 27 - QE MET 21 far 0 98 0 - 4.4-5.0 HG13 ILE 93 - QE MET 21 far 0 98 0 - 4.5-5.5 QG1 VAL 5 - QE MET 21 far 0 77 0 - 5.7-6.6 QD2 LEU 27 - QE MET 21 far 0 82 0 - 6.0-6.7 QD2 LEU 57 - QE MET 21 far 0 59 0 - 7.2-8.5 QG1 VAL 54 - QE MET 21 far 0 100 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 8553 from cnoeabs.peaks (1.81, 2.40, 32.03 ppm; 4.14 A): 3 out of 7 assignments used, quality = 1.00: HB ILE 93 + HB3 MET 21 OK 99 99 100 100 2.4-3.2 2.1/10013=73...(19) HB3 LYS 90 + HG3 MET 21 OK 85 85 100 100 2.8-3.4 ~3920=42, ~8546=39...(37) HB3 LYS 90 + HB3 MET 21 OK 85 90 95 99 4.2-4.5 ~9948=42, ~3920=29...(34) HB2 LYS 90 - HG3 MET 21 far 0 98 0 - 4.5-5.1 HB ILE 93 - HG3 MET 21 far 0 96 0 - 4.7-5.7 HB2 LYS 90 - HB3 MET 21 far 0 100 0 - 5.7-5.8 HB3 LEU 57 - HB3 MET 21 far 0 98 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 8554 from cnoeabs.peaks (1.33, 2.40, 32.03 ppm; 4.88 A increased from 4.60 A): 1 out of 9 assignments used, quality = 0.95: QB ALA 25 + HB3 MET 21 OK 95 99 100 96 4.1-4.6 8551/4.3=74...(7) QB ALA 89 - HB3 MET 21 far 0 99 0 - 5.5-5.8 QB ALA 25 - HG3 MET 21 far 0 95 0 - 5.8-6.5 HG2 LYS 94 - HB3 MET 21 far 0 99 0 - 6.0-8.2 QB ALA 89 - HG3 MET 21 far 0 95 0 - 6.0-6.5 HG2 LYS 94 - HG3 MET 21 far 0 95 0 - 6.8-8.9 HB3 LEU 27 - HB3 MET 21 far 0 96 0 - 8.1-9.2 HG LEU 14 - HB3 MET 21 far 0 90 0 - 9.6-10.2 HG LEU 14 - HG3 MET 21 far 0 85 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 8555 from cnoeabs.peaks (0.75, 2.40, 32.03 ppm; 3.57 A): 2 out of 11 assignments used, quality = 1.00: QG2 ILE 93 + HB3 MET 21 OK 100 100 100 100 2.3-3.0 10013=67, 10012/3.0=36...(24) QD1 ILE 93 + HB3 MET 21 OK 93 94 100 99 2.1-3.1 8558/3.0=48...(23) QD1 ILE 93 - HG3 MET 21 far 0 90 0 - 4.0-4.8 HG13 ILE 93 - HB3 MET 21 far 0 99 0 - 4.4-5.5 QG2 ILE 93 - HG3 MET 21 far 0 98 0 - 4.8-5.6 QG1 VAL 5 - HB3 MET 21 far 0 85 0 - 5.7-6.6 QD1 LEU 27 - HB3 MET 21 far 0 95 0 - 5.8-6.4 HG13 ILE 93 - HG3 MET 21 far 0 97 0 - 6.7-7.9 QD2 LEU 27 - HB3 MET 21 far 0 90 0 - 8.0-8.5 QG1 VAL 5 - HG3 MET 21 far 0 81 0 - 8.0-9.0 QD1 LEU 27 - HG3 MET 21 far 0 91 0 - 8.1-8.9 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 4 assignments used, quality = 1.00: HB ILE 93 + HG2 MET 21 OK 100 100 100 100 3.2-4.2 10011=67, 3.2/8558=59...(20) HB2 LYS 90 + HG2 MET 21 OK 100 100 100 100 3.6-3.7 3.0/3920=64, 2.8/8557=50...(25) HB3 LYS 90 + HG2 MET 21 OK 82 82 100 100 2.0-2.2 3.0/3920=64, 2.8/8557=50...(24) HB2 GLU 88 - HG2 MET 21 far 0 100 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 8557 from cnoeabs.peaks (1.32, 2.94, 31.91 ppm; 4.73 A): 1 out of 5 assignments used, quality = 0.65: HG2 LYS 90 + HG2 MET 21 OK 65 65 100 100 2.9-3.7 4.0/3920=66...(17) QB ALA 89 - HG2 MET 21 far 10 96 10 - 4.9-5.7 QB ALA 25 - HG2 MET 21 far 0 96 0 - 5.5-6.7 HG2 LYS 94 - HG2 MET 21 far 0 96 0 - 5.5-7.7 HG LEU 14 - HG2 MET 21 far 0 82 0 - 8.5-9.9 Violated in 0 structures by 0.00 A. Peak 8558 from cnoeabs.peaks (0.75, 2.94, 31.91 ppm; 3.94 A increased from 3.71 A): 1 out of 7 assignments used, quality = 0.88: QD1 ILE 93 + HG2 MET 21 OK 88 88 100 100 3.0-3.9 9947/3920=49, 10024=47...(25) QG2 ILE 93 - HG2 MET 21 far 5 100 5 - 4.0-4.8 HG13 ILE 93 - HG2 MET 21 far 0 100 0 - 5.2-6.6 QG1 VAL 5 - HG2 MET 21 far 0 92 0 - 7.2-8.1 QD1 LEU 27 - HG2 MET 21 far 0 90 0 - 7.5-8.4 QD2 LEU 14 - HG2 MET 21 far 0 61 0 - 8.7-9.9 QD2 LEU 27 - HG2 MET 21 far 0 95 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 8559 from cnoeabs.peaks (0.76, 2.05, 32.03 ppm; 3.75 A): 2 out of 14 assignments used, quality = 0.99: QD1 ILE 93 + HB2 MET 21 OK 98 98 100 100 2.2-3.2 8558/3.0=52, 8480/770=52...(23) QG2 ILE 93 + HB2 MET 21 OK 70 100 70 100 3.6-4.2 10013/1.8=66...(21) QG2 ILE 93 - HB3 LYS 94 far 0 52 0 - 4.1-4.7 HG13 ILE 93 - HB2 MET 21 far 0 98 0 - 4.8-6.0 QD1 ILE 93 - HB3 LYS 94 far 0 49 0 - 5.2-6.0 QD1 LEU 27 - HB3 LYS 94 far 0 49 0 - 6.0-6.8 QG1 VAL 5 - HB2 MET 21 far 0 77 0 - 6.2-7.1 HG13 ILE 93 - HB3 LYS 94 far 0 49 0 - 6.3-6.9 QD1 LEU 27 - HB2 MET 21 far 0 98 0 - 7.1-7.7 QD2 LEU 27 - HB3 LYS 94 far 0 37 0 - 8.0-9.1 QD2 LEU 57 - HB2 MET 21 far 0 59 0 - 8.0-9.6 QG1 VAL 5 - HB3 LYS 94 far 0 34 0 - 8.1-8.8 QD2 LEU 57 - HB3 LYS 94 far 0 25 0 - 8.7-10.0 QD2 LEU 27 - HB2 MET 21 far 0 82 0 - 9.2-9.7 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 6 assignments used, quality = 0.96: HD2 LYS 24 + HA MET 21 OK 89 96 95 98 2.4-5.0 3.6/1072=79, 11063=55...(12) HD3 LYS 24 + HA MET 21 OK 65 95 70 98 2.2-5.3 3.6/1072=79...(13) HG3 LYS 20 - HA MET 21 far 15 100 15 - 3.6-6.5 HD3 LYS 20 - HA MET 21 far 0 100 0 - 5.9-7.8 HD2 LYS 20 - HA MET 21 far 0 100 0 - 6.4-7.9 HD3 LYS 90 - HA MET 21 far 0 95 0 - 7.2-8.1 Violated in 0 structures by 0.00 A. Peak 8565 from cnoeabs.peaks (1.60, 4.41, 57.01 ppm; 5.42 A increased from 4.81 A): 2 out of 9 assignments used, quality = 1.00: HG2 LYS 24 + HA MET 21 OK 98 98 100 100 2.9-5.6 2.9/1072=98...(12) HG3 LYS 90 + HA MET 21 OK 95 97 100 98 5.0-5.3 10441/3.0=56, ~8561=52...(13) HD2 LYS 94 - HA MET 21 far 0 84 0 - 6.7-8.1 HG LEU 103 - HA HIS 106 far 0 93 0 - 6.9-13.6 HD3 LYS 94 - HA MET 21 far 0 100 0 - 7.3-9.4 HB2 LEU 103 - HA HIS 106 far 0 95 0 - 7.7-12.1 HG LEU 27 - HA MET 21 far 0 100 0 - 8.0-8.7 HB3 LEU 29 - HA MET 21 far 0 100 0 - 8.3-8.6 HG2 ARG 19 - HA MET 21 far 0 98 0 - 8.8-9.5 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 7 assignments used, quality = 1.00: QG2 ILE 93 + HA MET 21 OK 100 100 100 100 4.2-4.9 10013/3.0=80...(20) QD1 ILE 93 + HA MET 21 OK 79 88 90 100 4.4-5.4 8562/3.0=74, 8558/3.9=70...(19) QD1 LEU 27 - HA MET 21 far 0 90 0 - 7.1-7.7 HG13 ILE 93 - HA MET 21 far 0 100 0 - 7.1-8.2 QG1 VAL 5 - HA MET 21 far 0 92 0 - 7.8-8.6 QD2 LEU 27 - HA MET 21 far 0 95 0 - 8.7-9.2 QD2 LEU 27 - HA HIS 106 far 0 92 0 - 9.2-20.8 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 19 assignments used, quality = 0.56: HB ILE 76 + HA ALA 71 OK 34 35 100 99 2.9-3.9 2.1/9651=49, 4.0/9649=43...(18) HG LEU 27 + HA ALA 22 OK 34 98 35 98 4.1-4.7 3.0/8636=58...(9) HG3 LYS 73 - HA ALA 71 far 0 57 0 - 4.6-7.2 HB3 LEU 29 - HA ALA 22 far 0 97 0 - 4.8-5.6 HG2 LYS 68 - HA ALA 67 far 0 41 0 - 5.4-5.7 HD2 LYS 66 - HA ALA 67 far 0 63 0 - 6.3-7.9 HG2 LYS 24 - HA ALA 22 far 0 87 0 - 6.8-8.0 HD3 LYS 39 - HA ALA 71 far 0 39 0 - 7.1-8.5 HB3 LEU 6 - HA ALA 67 far 0 33 0 - 7.1-7.7 HG2 ARG 19 - HA ALA 22 far 0 85 0 - 7.7-9.2 HD2 LYS 94 - HA ALA 22 far 0 97 0 - 7.9-9.9 HG3 LYS 90 - HA ALA 22 far 0 84 0 - 7.9-8.4 HG3 LYS 73 - HA ALA 67 far 0 61 0 - 8.3-9.9 HG2 LYS 68 - HA ALA 71 far 0 37 0 - 8.5-9.0 HB ILE 76 - HA ALA 67 far 0 38 0 - 8.7-9.1 HD3 LYS 94 - HA ALA 22 far 0 98 0 - 9.1-10.8 HD3 LYS 39 - HA ALA 67 far 0 42 0 - 9.3-10.6 HB3 LEU 6 - HA ALA 71 far 0 30 0 - 9.9-10.4 HD2 LYS 66 - HA ALA 71 far 0 58 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 8574 from cnoeabs.peaks (2.08, 3.83, 55.43 ppm; 4.80 A): 3 out of 12 assignments used, quality = 0.99: QE MET 21 + HA ALA 22 OK 93 93 100 100 3.5-3.8 6351/3.0=72, 8542=59...(17) HB2 MET 21 + HA ALA 22 OK 79 79 100 100 4.8-5.0 6347/3.0=71, ~12043=50...(14) HB2 MET 74 + HA ALA 71 OK 53 53 100 99 4.0-5.0 2.9/9613=60...(12) HB3 LEU 38 - HA ALA 67 poor 16 64 25 - 4.1-5.5 HB3 GLU 35 - HA ALA 67 far 0 65 0 - 6.4-7.3 HB2 GLU 23 - HA ALA 22 far 0 100 0 - 6.6-6.6 HB3 LEU 38 - HA ALA 71 far 0 59 0 - 6.9-9.4 HB2 LEU 64 - HA ALA 67 far 0 39 0 - 7.8-8.1 HG3 GLU 28 - HA ALA 22 far 0 96 0 - 8.9-10.4 HG2 GLU 28 - HA ALA 22 far 0 96 0 - 9.0-10.7 HB3 GLU 43 - HA ALA 71 far 0 55 0 - 9.5-10.2 HB2 MET 74 - HA ALA 67 far 0 57 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 8575 from cnoeabs.peaks (0.76, 3.83, 55.43 ppm; 3.09 A): 2 out of 26 assignments used, quality = 0.97: QG2 ILE 93 + HA ALA 22 OK 95 99 100 96 2.0-2.3 10028=36, 8579/2.1=34...(22) QD2 LEU 42 + HA ALA 71 OK 48 59 100 82 2.7-3.3 8924=33, ~12014=29...(14) QD1 LEU 27 - HA ALA 22 far 0 99 0 - 3.4-4.1 QD1 ILE 93 - HA ALA 22 far 0 99 0 - 3.5-4.6 QG1 VAL 78 - HA ALA 71 far 0 56 0 - 3.8-4.1 QG2 VAL 78 - HA ALA 71 far 0 31 0 - 3.9-4.3 QG1 VAL 58 - HA ALA 67 far 0 33 0 - 4.6-4.9 QG1 VAL 5 - HA ALA 22 far 0 73 0 - 4.8-5.7 QG2 VAL 78 - HA ALA 67 far 0 34 0 - 5.2-5.4 QD2 LEU 27 - HA ALA 22 far 0 79 0 - 5.4-5.8 QD2 LEU 42 - HA ALA 67 far 0 64 0 - 5.6-6.1 HG13 ILE 93 - HA ALA 22 far 0 96 0 - 5.6-6.1 QD1 LEU 6 - HA ALA 67 far 0 61 0 - 5.7-6.2 QD1 LEU 64 - HA ALA 67 far 0 57 0 - 6.1-6.8 QG2 ILE 8 - HA ALA 67 far 0 46 0 - 6.3-6.9 QD1 LEU 6 - HA ALA 71 far 0 57 0 - 6.4-6.9 QG1 VAL 78 - HA ALA 67 far 0 61 0 - 6.4-7.1 QG1 VAL 54 - HA ALA 71 far 0 60 0 - 6.5-7.1 QG1 VAL 54 - HA ALA 67 far 0 65 0 - 6.9-7.5 QG2 ILE 52 - HA ALA 71 far 0 51 0 - 7.6-8.6 QD2 LEU 57 - HA ALA 22 far 0 63 0 - 7.7-9.3 QD2 LEU 57 - HA ALA 67 far 0 34 0 - 8.4-8.8 QG1 VAL 54 - HA ALA 22 far 0 100 0 - 9.1-10.0 QG1 VAL 58 - HA ALA 71 far 0 30 0 - 9.6-9.9 QD1 LEU 64 - HA ALA 71 far 0 53 0 - 9.7-10.5 QG1 VAL 5 - HA ALA 67 far 0 41 0 - 9.8-10.5 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 5 assignments used, quality = 0.95: QG2 VAL 5 + HA ALA 22 OK 95 96 100 100 4.1-4.6 8578/2.1=86...(11) QG1 VAL 32 - HA ALA 67 far 0 50 0 - 5.6-6.3 HG LEU 55 - HA ALA 22 far 0 70 0 - 8.9-10.1 QG1 VAL 32 - HA ALA 71 far 0 46 0 - 9.2-9.7 HG13 ILE 7 - HA ALA 22 far 0 61 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 8577 from cnoeabs.peaks (1.18, 1.44, 18.06 ppm; 3.84 A): 1 out of 5 assignments used, quality = 0.95: HB2 LEU 29 + QB ALA 22 OK 95 95 100 100 1.9-2.1 1.8/8581=79, 1275=46...(19) QG2 THR 31 - QB ALA 22 far 0 65 0 - 5.9-6.4 HB3 LEU 3 - QB ALA 22 far 0 82 0 - 6.7-7.6 HB2 LEU 6 - QB ALA 22 far 0 100 0 - 8.4-8.7 HB2 LEU 57 - QB ALA 22 far 0 93 0 - 8.8-9.1 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 = 0.88: QG2 VAL 5 + QB ALA 22 OK 88 91 100 98 3.2-3.7 8576/2.1=63...(10) HG13 ILE 7 - QB ALA 22 far 0 71 0 - 6.6-8.7 HG LEU 55 - QB ALA 22 far 0 59 0 - 7.3-8.4 QG2 VAL 83 - QB ALA 22 far 0 61 0 - 8.5-8.9 Violated in 0 structures by 0.00 A. Peak 8579 from cnoeabs.peaks (0.76, 1.44, 18.06 ppm; 3.19 A): 2 out of 11 assignments used, quality = 0.99: QG2 ILE 93 + QB ALA 22 OK 97 99 100 97 2.2-2.9 8575/2.1=44...(22) QD1 ILE 93 + QB ALA 22 OK 71 99 75 97 2.7-3.6 10327=61, 11004/6353=28...(23) QG1 VAL 5 - QB ALA 22 far 4 73 5 - 3.5-4.1 QD1 LEU 27 - QB ALA 22 far 0 99 0 - 3.6-4.4 HG13 ILE 93 - QB ALA 22 far 0 96 0 - 4.7-5.3 QD2 LEU 27 - QB ALA 22 far 0 79 0 - 5.0-5.6 QD2 LEU 57 - QB ALA 22 far 0 63 0 - 6.1-7.6 QG1 VAL 54 - QB ALA 22 far 0 100 0 - 7.0-7.8 QD1 LEU 6 - QB ALA 22 far 0 98 0 - 8.2-8.4 QD1 ILE 15 - QB ALA 22 far 0 100 0 - 8.5-9.1 HG13 ILE 15 - QB ALA 22 far 0 100 0 - 8.7-9.7 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 2.9-3.5 3.1/8581=44, 3.1/8577=41...(20) QD1 LEU 29 + QB ALA 22 OK 97 98 100 100 1.8-2.0 1307=48, 3.1/8581=44...(22) QD1 ILE 7 - QB ALA 22 far 0 92 0 - 5.5-7.2 QG2 VAL 54 - QB ALA 22 far 0 97 0 - 8.0-8.9 QD1 LEU 14 - QB ALA 22 far 0 63 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 8581 from cnoeabs.peaks (1.60, 1.44, 18.06 ppm; 3.65 A): 1 out of 8 assignments used, quality = 0.99: HB3 LEU 29 + QB ALA 22 OK 99 99 100 100 2.2-2.7 1.8/8577=68...(21) HG LEU 27 - QB ALA 22 far 0 100 0 - 4.4-5.2 HG2 ARG 19 - QB ALA 22 far 0 92 0 - 4.4-5.9 HG2 LYS 24 - QB ALA 22 far 0 93 0 - 6.5-7.9 HG3 LYS 90 - QB ALA 22 far 0 91 0 - 7.0-7.5 HB2 ARG 30 - QB ALA 22 far 0 100 0 - 7.8-8.1 HD2 LYS 94 - QB ALA 22 far 0 93 0 - 8.5-9.9 HD3 LYS 94 - QB ALA 22 far 0 100 0 - 9.2-10.7 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 3 assignments used, quality = 1.00: HB VAL 5 + QB ALA 22 OK 96 97 100 99 3.1-3.7 2.1/8578=72, 10193=46...(11) HB2 ARG 19 + QB ALA 22 OK 94 95 100 99 4.1-4.6 3.0/10456=57, 3.0/787=56...(12) HB2 LYS 20 - QB ALA 22 far 0 97 0 - 6.2-6.8 Violated in 0 structures by 0.00 A. Peak 8583 from cnoeabs.peaks (2.05, 1.44, 18.06 ppm; 4.78 A): 2 out of 7 assignments used, quality = 1.00: HB2 MET 21 + QB ALA 22 OK 100 100 100 100 4.3-4.6 6347/6353=92...(16) HG12 ILE 93 + QB ALA 22 OK 98 98 100 100 3.2-4.2 2.1/10327=94...(13) HB2 GLU 23 - QB ALA 22 far 0 63 0 - 5.1-5.3 HG3 GLU 28 - QB ALA 22 far 0 97 0 - 6.0-7.7 HG2 GLU 28 - QB ALA 22 far 0 97 0 - 6.4-7.8 HB3 LYS 94 - QB ALA 22 far 0 82 0 - 7.2-8.0 HB2 GLU 16 - QB ALA 22 far 0 84 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 8584 from cnoeabs.peaks (2.16, 1.44, 18.06 ppm; 5.04 A): 1 out of 3 assignments used, quality = 0.99: HB3 GLU 23 + QB ALA 22 OK 99 99 100 100 4.5-4.8 6366/6363=89...(7) HB3 GLU 16 - QB ALA 22 far 0 100 0 - 8.1-9.3 HB3 GLU 95 - QB ALA 22 far 0 100 0 - 9.7-11.5 Violated in 0 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 3.2-3.8 10459=99, 1042/6363=94...(9) HG3 GLU 95 - QB ALA 22 far 0 82 0 - 8.9-11.7 HG3 GLU 98 - QB ALA 22 far 0 85 0 - 9.7-10.8 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 4 assignments used, quality = 1.00: H LEU 29 + QB ALA 22 OK 100 100 100 100 3.0-3.4 6470=100, 6469/8581=76...(11) H ILE 7 - QB ALA 22 far 0 100 0 - 6.4-6.9 H VAL 32 - QB ALA 22 far 0 81 0 - 9.3-9.7 H LYS 53 - QB ALA 22 far 0 96 0 - 9.9-10.7 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 5 assignments used, quality = 1.00: H ASN 26 + QB ALA 22 OK 90 92 100 98 4.9-5.4 8608/2.1=76...(8) H GLU 28 + QB ALA 22 OK 88 90 100 98 5.0-5.6 4.5/6470=76...(5) H LYS 20 + QB ALA 22 OK 81 81 100 100 4.4-5.1 6343/6353=71...(14) HE ARG 30 - QB ALA 22 far 0 75 0 - 7.4-9.5 H LEU 3 - QB ALA 22 far 0 87 0 - 8.2-9.0 Violated in 0 structures by 0.00 A. Peak 8588 from cnoeabs.peaks (7.68, 1.44, 18.06 ppm; 5.29 A): 2 out of 3 assignments used, quality = 1.00: H MET 21 + QB ALA 22 OK 100 100 100 100 4.1-4.4 6345/6353=99...(13) H ALA 25 + QB ALA 22 OK 81 81 100 100 4.2-4.6 6394/2.1=72...(16) H GLU 98 - QB ALA 22 far 0 82 0 - 8.7-9.6 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 4.3-4.4 6376/6363=92...(12) Violated in 0 structures by 0.00 A. Peak 8590 from cnoeabs.peaks (7.57, 3.83, 55.43 ppm; 4.71 A): 2 out of 6 assignments used, quality = 1.00: H LYS 24 + HA ALA 22 OK 100 100 100 100 4.0-4.3 6376/3.6=79, 6375=78...(11) H ILE 76 + HA ALA 71 OK 58 58 100 100 4.0-4.6 9649=97, 7254/9648=58...(13) H LEU 38 - HA ALA 67 far 0 32 0 - 6.7-7.5 H GLU 44 - HA ALA 71 far 0 39 0 - 9.4-9.9 H LEU 38 - HA ALA 71 far 0 29 0 - 9.6-10.5 H ILE 76 - HA ALA 67 far 0 63 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 8594 from cnoeabs.peaks (4.41, 1.59, 25.00 ppm; 5.27 A increased from 4.68 A): 3 out of 5 assignments used, quality = 0.99: HA MET 21 + HG2 LYS 24 OK 95 100 95 100 2.9-5.6 1072/2.9=97...(12) HA MET 21 + HG3 LYS 90 OK 77 79 100 98 5.0-5.3 3.0/10441=64, ~8561=49...(13) HA MET 74 + HG3 LYS 73 OK 33 94 35 100 3.6-6.5 3.0/7220=72...(18) HA ALA 25 - HG2 LYS 24 far 15 100 15 - 4.4-6.7 HA ILE 76 - HG3 LYS 73 far 0 87 0 - 8.6-10.9 Violated in 0 structures by 0.00 A. Peak 8595 from cnoeabs.peaks (4.42, 1.51, 25.00 ppm; 4.13 A): 1 out of 7 assignments used, quality = 0.92: HA VAL 32 + HG3 LYS 33 OK 92 93 100 99 3.6-3.9 10145=76, 6515/6523=70...(6) HA MET 21 - HG3 LYS 24 poor 20 99 20 - 2.6-5.5 HA ALA 25 - HG3 LYS 24 far 5 99 5 - 3.8-6.7 HA MET 74 - HG2 LYS 73 far 0 81 0 - 5.2-6.7 HA GLU 48 - HG2 LYS 47 far 0 87 0 - 6.3-6.8 HA SER 9 - HG3 LYS 33 far 0 94 0 - 7.5-7.7 HA ILE 76 - HG2 LYS 47 far 0 87 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 8605 from cnoeabs.peaks (8.24, 4.41, 51.21 ppm; 5.29 A increased from 4.98 A): 1 out of 5 assignments used, quality = 1.00: H LEU 27 + HA ALA 25 OK 100 100 100 100 4.6-5.2 6419/6412=95...(8) H SER 97 - HA ALA 25 far 0 90 0 - 6.3-7.1 H GLU 23 - HA ALA 25 far 0 61 0 - 6.8-7.0 H LYS 94 - HA ALA 25 far 0 84 0 - 7.1-8.2 H PHE 96 - HA ALA 25 far 0 84 0 - 8.1-9.1 Violated in 0 structures by 0.00 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...(10) Violated in 0 structures by 0.00 A. Peak 8614 from cnoeabs.peaks (0.76, 4.41, 51.21 ppm; 4.96 A): 3 out of 6 assignments used, quality = 1.00: QD1 LEU 27 + HA ALA 25 OK 99 99 100 100 4.2-4.9 2.1/10472=83, ~8622=73...(14) QG2 ILE 93 + HA ALA 25 OK 79 99 80 99 4.6-5.4 10320/2.1=93...(11) QD2 LEU 27 + HA ALA 25 OK 77 77 100 100 4.4-5.2 2.1/10472=83, ~8622=73...(13) QD1 ILE 93 - HA ALA 25 far 0 99 0 - 7.4-8.4 QG1 VAL 5 - HA ALA 25 far 0 71 0 - 8.8-9.8 HG13 ILE 93 - HA ALA 25 far 0 96 0 - 9.2-10.1 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 2 assignments used, quality = 0.99: HB3 LYS 24 + HA ALA 25 OK 93 98 95 100 4.0-5.7 ~6400=48, ~6399=48...(18) HB2 LYS 24 + HA ALA 25 OK 88 98 90 99 4.5-5.4 6399/3.0=66, 8623/2.1=42...(17) 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 = 0.99: QD1 LEU 27 + QB ALA 25 OK 93 97 100 96 1.9-2.5 2.1/8622=48, 1223=37...(19) QG2 ILE 93 + QB ALA 25 OK 89 100 100 89 2.2-2.8 10320=40, 10319/8551=28...(16) QD2 LEU 27 + QB ALA 25 OK 20 85 25 94 3.0-3.6 2.1/8622=48, 2.1/1223=27...(17) QD1 ILE 93 - QB ALA 25 far 0 96 0 - 4.8-5.4 QG1 VAL 5 - QB ALA 25 far 0 81 0 - 5.6-6.5 HG13 ILE 93 - QB ALA 25 far 0 99 0 - 5.8-6.5 QG1 VAL 54 - QB ALA 25 far 0 100 0 - 8.6-9.4 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 = 0.90: HG LEU 27 + QB ALA 25 OK 90 93 100 97 2.0-2.4 2.1/8621=36, 2.1/1215=33...(16) HD2 LYS 94 - QB ALA 25 far 0 100 0 - 4.8-7.1 HG2 LYS 24 - QB ALA 25 far 0 75 0 - 5.1-6.3 HD3 LYS 94 - QB ALA 25 far 0 93 0 - 5.8-8.0 HB3 LEU 29 - QB ALA 25 far 0 91 0 - 6.4-7.2 HG3 LYS 90 - QB ALA 25 far 0 71 0 - 7.7-8.3 HG2 ARG 19 - QB ALA 25 far 0 73 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 8623 from cnoeabs.peaks (1.97, 1.34, 18.52 ppm; 4.46 A increased from 4.20 A): 2 out of 6 assignments used, quality = 1.00: HB3 LYS 24 + QB ALA 25 OK 94 100 95 100 3.8-5.4 4.4/6408=67, 4.0/8607=53...(19) HB2 LYS 24 + QB ALA 25 OK 94 100 95 99 3.8-4.8 4.4/6408=67...(18) HB3 LYS 20 - QB ALA 25 far 0 68 0 - 7.6-8.5 QE MET 1 - QB ALA 25 far 0 100 0 - 8.9-9.9 HB2 MET 1 - QB ALA 25 far 0 81 0 - 9.4-10.2 HB2 GLU 17 - QB ALA 25 far 0 81 0 - 9.5-10.3 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 = 1.00: QE MET 21 + QB ALA 25 OK 100 100 100 100 2.2-3.0 8551=94, 8612/6408=58...(12) HB2 GLU 23 - QB ALA 25 far 0 96 0 - 6.7-6.8 HG2 GLU 28 - QB ALA 25 far 0 61 0 - 8.3-10.0 HG3 GLU 28 - QB ALA 25 far 0 61 0 - 8.3-9.6 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 = 0.95: HB3 MET 21 + QB ALA 25 OK 87 87 100 100 4.1-4.6 4.3/8551=89, 8554=80...(6) HG3 MET 21 + QB ALA 25 OK 62 88 70 100 5.8-6.5 3.4/8624=95, 3.0/8554=88...(6) HG3 GLU 99 - QB ALA 25 far 0 96 0 - 7.8-9.4 HB3 TYR 4 - QB ALA 25 far 0 68 0 - 8.7-9.4 HG3 MET 1 - QB ALA 25 far 0 100 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 8626 from cnoeabs.peaks (1.45, 4.36, 54.31 ppm; 5.62 A increased from 4.73 A): 2 out of 2 assignments used, quality = 1.00: HB2 LEU 27 + HA ASN 26 OK 99 99 100 100 5.3-5.6 6440/6434=98, ~8618=51...(8) QB ALA 22 + HA ASN 26 OK 81 98 85 97 5.5-6.0 10463/10478=73, ~8608=56...(6) Violated in 0 structures by 0.00 A. Peak 8627 from cnoeabs.peaks (1.34, 4.36, 54.31 ppm; 4.77 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 25 + HA ASN 26 OK 100 100 100 100 4.7-4.8 6413/6414=89...(11) HB3 LEU 27 - HA ASN 26 far 0 100 0 - 6.1-6.2 HG LEU 3 - HA ASN 26 far 0 61 0 - 10.0-10.9 Violated in 4 structures by 0.01 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 4.4-4.9 6413/3.8=87, 8627/3.0=80...(9) HB3 LEU 27 - HB2 ASN 26 far 0 100 0 - 6.0-7.5 HB3 LEU 2 - HB2 ASN 26 far 0 99 0 - 9.9-12.0 HG3 LYS 94 - HB2 ASN 26 far 0 59 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 8629 from cnoeabs.peaks (0.75, 2.74, 36.97 ppm; 5.53 A): 2 out of 4 assignments used, quality = 0.97: QD2 LEU 27 + HB2 ASN 26 OK 91 92 100 99 3.1-5.0 8631/1.8=90, 4.7/6435=64...(6) QD1 LEU 27 + HB2 ASN 26 OK 64 93 70 99 5.1-6.5 ~10139=68, ~8631=68...(7) QG2 ILE 93 - HB2 ASN 26 far 0 100 0 - 7.2-7.9 QD1 ILE 93 - HB2 ASN 26 far 0 92 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 8630 from cnoeabs.peaks (1.34, 3.07, 36.97 ppm; 5.77 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 25 + HB3 ASN 26 OK 100 100 100 100 4.5-5.7 6413/3.8=92, 8628/1.8=88...(9) HB3 LEU 27 - HB3 ASN 26 far 0 100 0 - 6.1-7.1 HG LEU 3 - HB3 ASN 26 far 0 61 0 - 8.2-10.2 HB3 LEU 2 - HB3 ASN 26 far 0 100 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 8631 from cnoeabs.peaks (0.75, 3.07, 36.97 ppm; 5.09 A): 1 out of 3 assignments used, quality = 0.84: QD2 LEU 27 + HB3 ASN 26 OK 84 85 100 98 3.2-4.8 10139=78, 4.7/6436=57...(8) QD1 LEU 27 - HB3 ASN 26 far 15 97 15 - 5.2-6.7 QG2 ILE 93 - HB3 ASN 26 far 0 100 0 - 7.3-8.4 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 3.0-3.8 8634/1.8=73...(9) HG LEU 55 - HB2 LEU 27 far 0 95 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 8634 from cnoeabs.peaks (0.93, 1.34, 44.09 ppm; 4.24 A): 1 out of 2 assignments used, quality = 0.90: QG2 VAL 5 + HB3 LEU 27 OK 90 97 100 93 2.8-3.6 8633/1.8=69...(7) HG LEU 55 - HB3 LEU 27 far 0 73 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 8636 from cnoeabs.peaks (3.83, 1.46, 44.09 ppm; 4.26 A): 1 out of 7 assignments used, quality = 0.94: HA ALA 22 + HB2 LEU 27 OK 94 100 100 94 3.0-3.9 8638/6440=57...(9) HA SER 97 - HB2 LEU 27 far 0 98 0 - 5.7-6.3 HA LYS 94 - HB2 LEU 27 far 0 65 0 - 6.8-8.1 HA ARG 19 - HB2 LEU 27 far 0 92 0 - 7.2-7.9 HA2 GLY 101 - HB2 LEU 27 far 0 65 0 - 9.6-13.6 HA2 GLY 100 - HB2 LEU 27 far 0 65 0 - 9.6-11.5 HB3 SER 102 - HB2 LEU 27 far 0 93 0 - 9.6-17.4 Violated in 0 structures by 0.00 A. Peak 8639 from cnoeabs.peaks (3.83, 1.34, 44.09 ppm; 5.84 A increased from 4.67 A): 2 out of 7 assignments used, quality = 1.00: HA ALA 22 + HB3 LEU 27 OK 99 99 100 100 4.7-5.7 8636/1.8=100...(6) HA SER 97 + HB3 LEU 27 OK 94 94 100 100 5.4-6.0 8640/3.1=78, 8641/3.1=67...(13) HA LYS 94 - HB3 LEU 27 far 0 75 0 - 7.8-9.0 HA ARG 19 - HB3 LEU 27 far 0 85 0 - 8.1-9.4 HA2 GLY 100 - HB3 LEU 27 far 0 75 0 - 8.6-10.8 HB3 SER 102 - HB3 LEU 27 far 0 87 0 - 8.8-16.4 HA2 GLY 101 - HB3 LEU 27 far 0 75 0 - 9.0-12.6 Violated in 0 structures by 0.00 A. Peak 8640 from cnoeabs.peaks (3.81, 0.73, 25.25 ppm; 3.71 A): 1 out of 4 assignments used, quality = 1.00: HA SER 97 + QD2 LEU 27 OK 100 100 100 100 2.9-3.5 10068=60, 8641/2.1=50...(19) HB3 SER 102 - QD2 LEU 27 far 0 100 0 - 4.9-12.8 HA ALA 22 - QD2 LEU 27 far 0 98 0 - 5.4-5.8 HA ARG 19 - QD2 LEU 27 far 0 100 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 8641 from cnoeabs.peaks (3.82, 0.77, 26.59 ppm; 3.51 A): 2 out of 4 assignments used, quality = 0.99: HA SER 97 + QD1 LEU 27 OK 99 99 100 99 2.0-2.7 8640/2.1=60...(18) HA ALA 22 + QD1 LEU 27 OK 42 100 50 84 3.4-4.1 8636/3.1=40, 8638/4.7=27...(10) HB3 SER 102 - QD1 LEU 27 far 0 97 0 - 6.8-12.5 HA ARG 19 - QD1 LEU 27 far 0 96 0 - 7.5-8.4 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 98 98 100 100 1.9-2.0 4350/10064=48...(20) HB3 SER 97 + QD1 LEU 27 OK 88 88 100 100 2.4-3.4 4.1/10064=44...(21) 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 = 0.98: HB2 SER 97 + QD2 LEU 27 OK 94 95 100 100 3.0-3.7 3.0/8640=61, 10079=41...(18) HB3 SER 97 + QD2 LEU 27 OK 56 94 60 100 3.0-4.7 3.0/8640=61...(19) Violated in 0 structures by 0.00 A. Peak 8644 from cnoeabs.peaks (6.95, 0.77, 26.59 ppm; 4.31 A): 1 out of 1 assignment used, quality = 0.98: QE PHE 96 + QD1 LEU 27 OK 98 98 100 100 3.0-4.2 2.2/8645=82, 8646/2.1=60...(18) Violated in 0 structures by 0.00 A. Peak 8645 from cnoeabs.peaks (7.04, 0.77, 26.59 ppm; 3.82 A): 1 out of 3 assignments used, quality = 0.97: QD PHE 96 + QD1 LEU 27 OK 97 99 100 99 2.2-2.7 2.2/8644=57, 8647/2.1=53...(18) HZ PHE 96 - QD1 LEU 27 far 0 91 0 - 5.1-6.1 HZ3 TRP 92 - QD1 LEU 27 far 0 90 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 8646 from cnoeabs.peaks (6.96, 0.73, 25.25 ppm; 4.79 A increased from 4.26 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 96 + QD2 LEU 27 OK 100 100 100 100 3.9-4.6 8644/2.1=83, 2.2/8647=79...(14) Violated in 0 structures by 0.00 A. Peak 8647 from cnoeabs.peaks (7.04, 0.73, 25.25 ppm; 4.56 A increased from 4.06 A): 1 out of 2 assignments used, quality = 0.98: QD PHE 96 + QD2 LEU 27 OK 98 99 100 100 3.9-4.3 8645/2.1=89, 2.2/8646=68...(19) HZ PHE 96 - QD2 LEU 27 far 0 91 0 - 5.7-6.6 Violated in 0 structures by 0.00 A. Peak 8648 from cnoeabs.peaks (7.01, 1.60, 26.52 ppm; 5.91 A increased from 5.56 A): 1 out of 1 assignment used, quality = 0.93: QD PHE 96 + HG LEU 27 OK 93 93 100 100 5.0-5.6 ~8644=80, ~8646=74...(13) Violated in 0 structures by 0.00 A. Peak 8651 from cnoeabs.peaks (6.44, 4.31, 55.46 ppm; 5.59 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 4 + HA GLU 28 OK 99 100 100 99 4.9-5.2 2.2/14579=60...(13) QD TYR 4 + HA GLU 28 OK 99 99 100 100 4.5-5.0 14579=63, 8652/3.0=48...(15) 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 96 100 100 96 2.1-2.6 3.7/8656=42, 8653/1.8=33...(18) QE TYR 4 + HB2 GLU 28 OK 88 98 100 90 2.3-2.7 8653/1.8=33, 5.7/8656=25...(15) Violated in 0 structures by 0.00 A. Peak 8653 from cnoeabs.peaks (6.44, 1.56, 30.51 ppm; 4.09 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 4 + HB3 GLU 28 OK 96 99 100 97 2.8-3.5 3.7/8135=47, 8652/1.8=42...(17) QE TYR 4 + HB3 GLU 28 OK 95 100 100 95 2.4-3.2 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: QE TYR 4 + HG3 GLU 28 OK 96 100 100 96 2.7-4.3 8653/3.0=35, 8652/3.0=35...(16) QE TYR 4 + HG2 GLU 28 OK 95 100 100 96 2.5-4.3 8653/3.0=35, 8652/3.0=35...(16) QD TYR 4 + HG2 GLU 28 OK 77 99 80 97 4.0-5.1 8652/3.0=38, 8653/3.0=35...(18) QD TYR 4 + HG3 GLU 28 OK 48 99 50 97 4.1-5.3 8652/3.0=38, 8653/3.0=35...(18) 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 99 100 100 100 3.6-4.4 8135/1.8=82, 10366=64...(10) HA LEU 3 - HB2 GLU 28 far 0 90 0 - 7.3-8.0 HA VAL 54 - HB2 GLU 28 far 0 99 0 - 7.5-8.3 Violated in 3 structures by 0.00 A. Peak 8657 from cnoeabs.peaks (5.15, 1.56, 30.51 ppm; 4.43 A): 1 out of 3 assignments used, quality = 0.99: HA TYR 4 + HB3 GLU 28 OK 99 100 100 100 3.7-4.1 8135=93, 8656/1.8=79...(10) HA LEU 3 - HB3 GLU 28 far 0 90 0 - 6.5-7.1 HA VAL 54 - HB3 GLU 28 far 0 99 0 - 7.5-8.3 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 4.2-4.4 1187/6456=87, ~8661=21, 1184=16 Violated in 0 structures by 0.00 A. Peak 8659 from cnoeabs.peaks (5.15, 2.06, 35.83 ppm; 6.50 A increased from 6.31 A): 2 out of 6 assignments used, quality = 1.00: HA TYR 4 + HG3 GLU 28 OK 100 100 100 100 5.8-6.4 8135/3.0=99, 8656/3.0=98...(7) HA TYR 4 + HG2 GLU 28 OK 100 100 100 100 5.9-6.4 8135/3.0=99, 8656/3.0=98...(7) HA LEU 3 - HG3 GLU 28 far 0 90 0 - 8.8-9.9 HA LEU 3 - HG2 GLU 28 far 0 90 0 - 8.9-9.8 HA VAL 54 - HG2 GLU 28 far 0 99 0 - 9.7-10.6 HA VAL 54 - HG3 GLU 28 far 0 99 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 8661 from cnoeabs.peaks (1.45, 4.31, 55.46 ppm; 5.03 A increased from 4.74 A): 2 out of 4 assignments used, quality = 1.00: HB2 LEU 27 + HA GLU 28 OK 99 99 100 100 4.8-5.2 1195/3.0=82, ~6450=62...(12) QB ALA 22 + HA GLU 28 OK 97 98 100 100 4.2-4.8 6470/6462=86, 10452=84...(6) HG LEU 29 - HA GLU 28 far 0 98 0 - 6.5-6.6 HG13 ILE 52 - HA GLU 28 far 0 99 0 - 9.3-10.1 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 4.7-5.0 6468/6462=90...(6) HB3 LEU 3 - HA GLU 28 far 0 97 0 - 7.8-8.4 QG2 THR 31 - HA GLU 28 far 0 88 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 8666 from cnoeabs.peaks (0.94, 5.66, 53.19 ppm; 4.84 A): 1 out of 3 assignments used, quality = 0.99: QG2 VAL 5 + HA LEU 29 OK 99 99 100 100 3.6-4.0 8175=99, 2.1/8173=93...(18) HG LEU 55 - HA LEU 29 far 0 82 0 - 7.9-8.9 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 14 assignments used, quality = 0.99: QG1 VAL 5 + HA LEU 29 OK 99 99 100 100 3.7-4.2 8174=90, 2.1/8173=83...(16) QG1 VAL 54 - HA LEU 29 far 0 82 0 - 5.2-6.0 QG2 ILE 93 - HA LEU 29 far 0 96 0 - 5.4-6.2 QD1 LEU 27 - HA LEU 29 far 0 70 0 - 5.6-6.1 QD1 ILE 93 - HA LEU 29 far 0 68 0 - 5.6-6.9 QD1 LEU 6 - HA LEU 29 far 0 65 0 - 6.2-6.5 QD2 LEU 27 - HA LEU 29 far 0 100 0 - 6.6-7.1 HG13 ILE 93 - HA LEU 29 far 0 99 0 - 7.3-8.5 HG13 ILE 56 - HA LEU 29 far 0 92 0 - 8.8-9.2 QD2 LEU 42 - HA LEU 29 far 0 73 0 - 9.0-9.4 QG1 VAL 78 - HA LEU 29 far 0 99 0 - 9.2-9.8 QD1 ILE 56 - HA LEU 29 far 0 82 0 - 9.2-9.6 QD1 ILE 8 - HA LEU 29 far 0 85 0 - 9.6-10.1 QD2 LEU 14 - HA LEU 29 far 0 84 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 8668 from cnoeabs.peaks (1.86, 5.66, 53.19 ppm; 4.01 A): 1 out of 4 assignments used, quality = 1.00: HB VAL 5 + HA LEU 29 OK 100 100 100 100 2.3-2.9 8173=100, 2.1/8667=63...(19) HB2 ARG 19 - HA LEU 29 far 0 77 0 - 7.4-8.3 HB3 LEU 57 - HA LEU 29 far 0 61 0 - 8.3-8.9 HB VAL 54 - HA LEU 29 far 0 88 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 8669 from cnoeabs.peaks (1.87, 1.16, 44.91 ppm; 4.96 A): 1 out of 3 assignments used, quality = 0.99: HB VAL 5 + HB2 LEU 29 OK 99 99 100 100 2.4-3.0 8191=96, 8173/2.9=83...(25) HB2 ARG 19 - HB2 LEU 29 far 0 92 0 - 5.8-6.8 HB2 LYS 20 - HB2 LEU 29 far 0 95 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 8670 from cnoeabs.peaks (1.86, 1.60, 44.91 ppm; 5.33 A): 2 out of 3 assignments used, quality = 1.00: HB VAL 5 + HB3 LEU 29 OK 100 100 100 100 4.0-4.5 8191/1.8=97, 8173/2.9=91...(23) HB2 ARG 19 + HB3 LEU 29 OK 81 81 100 100 4.5-5.5 8674/3.1=86, ~8685=52...(19) HB2 LYS 20 - HB3 LEU 29 far 0 85 0 - 8.8-9.7 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 8192=94, 2.1/10500=68...(23) HB3 LEU 57 - QD1 LEU 29 far 0 90 0 - 5.1-5.8 HB3 LYS 90 - QD1 LEU 29 far 0 98 0 - 7.5-7.9 HB2 LYS 90 - QD1 LEU 29 far 0 70 0 - 8.0-8.5 HB VAL 54 - QD1 LEU 29 far 0 59 0 - 9.2-10.0 HB2 GLU 88 - QD1 LEU 29 far 0 63 0 - 9.2-9.9 HB2 LYS 12 - QD1 LEU 29 far 0 94 0 - 10.0-10.6 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 = 0.95: QB ALA 18 + QD1 LEU 29 OK 95 98 100 97 1.9-2.5 12032=71, 6283/8691=32...(16) HB2 LEU 57 - QD1 LEU 29 far 0 93 0 - 6.2-6.8 HB2 LEU 6 - QD1 LEU 29 far 0 68 0 - 6.4-6.9 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 6 assignments used, quality = 1.00: HG3 ARG 19 + QD2 LEU 29 OK 100 100 100 100 1.9-2.9 3.0/8674=56, 8520=50...(21) HB ILE 15 - QD2 LEU 29 far 0 75 0 - 6.0-6.6 HB2 GLU 28 - QD2 LEU 29 far 0 94 0 - 6.3-6.6 HD3 LYS 33 - QD2 LEU 29 far 0 65 0 - 9.4-10.7 HD2 LYS 33 - QD2 LEU 29 far 0 65 0 - 9.4-10.7 HB ILE 56 - QD2 LEU 29 far 0 100 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 8674 from cnoeabs.peaks (1.88, 0.64, 24.70 ppm; 3.75 A increased from 3.53 A): 1 out of 7 assignments used, quality = 0.96: HB2 ARG 19 + QD2 LEU 29 OK 96 96 100 100 3.0-4.0 3.0/8685=59, 3.0/8673=57...(28) HB VAL 5 - QD2 LEU 29 far 10 96 10 - 4.0-4.7 HB2 LYS 20 - QD2 LEU 29 far 0 98 0 - 7.2-8.3 HB3 LEU 14 - QD2 LEU 29 far 0 85 0 - 8.2-9.1 HB ILE 8 - QD2 LEU 29 far 0 94 0 - 8.5-9.5 HB2 LYS 12 - QD2 LEU 29 far 0 98 0 - 9.1-9.5 HB VAL 54 - QD2 LEU 29 far 0 99 0 - 9.8-10.8 Violated in 2 structures by 0.01 A. Peak 8675 from cnoeabs.peaks (1.87, 1.44, 27.00 ppm; 4.33 A): 1 out of 20 assignments used, quality = 0.98: HB VAL 5 + HG LEU 29 OK 98 99 100 100 2.3-3.3 8192/2.1=83, 8191/3.0=60...(18) HG LEU 42 - HG LEU 38 far 0 57 0 - 5.1-5.6 HB3 LYS 66 - HG LEU 38 far 0 70 0 - 5.4-6.2 HB3 LYS 39 - HG LEU 38 far 0 70 0 - 6.0-7.4 HB2 ARG 19 - HG LEU 29 far 0 92 0 - 6.1-7.0 HB2 LYS 53 - HG13 ILE 52 far 0 43 0 - 6.2-7.1 HB ILE 8 - HG LEU 38 far 0 58 0 - 6.3-7.0 HB VAL 54 - HG13 ILE 52 far 0 63 0 - 6.4-7.8 HB3 LYS 90 - HG3 ARG 91 far 0 40 0 - 6.7-7.6 HG LEU 42 - HG13 ILE 76 far 0 68 0 - 6.9-7.2 HB VAL 54 - HG13 ILE 76 far 0 80 0 - 7.5-7.9 HB3 LYS 68 - HG LEU 38 far 0 73 0 - 7.9-8.7 HB2 GLU 43 - HG13 ILE 76 far 0 52 0 - 8.1-8.9 HB VAL 54 - HG LEU 38 far 0 68 0 - 8.2-9.0 HB2 LYS 68 - HG LEU 38 far 0 44 0 - 8.8-9.7 HB VAL 54 - HG LEU 29 far 0 98 0 - 9.5-10.7 HB ILE 8 - HG LEU 29 far 0 88 0 - 9.6-10.3 HB3 LYS 39 - HG13 ILE 76 far 0 82 0 - 9.6-10.9 HB2 LYS 53 - HG13 ILE 76 far 0 57 0 - 9.7-11.3 HB VAL 5 - HG13 ILE 52 far 0 64 0 - 9.8-10.8 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 4.5-4.7 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 2.9-3.7 8685/3.1=76, 8512/1.8=62...(19) HA ALA 22 + HB3 LEU 29 OK 94 99 95 100 4.8-5.6 2.1/8581=98, ~8577=79...(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 4.7-5.0 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 3.9-4.5 8685/3.1=90, 8512=72...(15) HA ALA 22 + HB2 LEU 29 OK 94 94 100 100 3.9-4.5 2.1/8577=91, ~8581=83...(19) HA ALA 18 - HB2 LEU 29 far 0 71 0 - 6.4-6.9 HA SER 97 - HB2 LEU 29 far 0 99 0 - 9.1-10.0 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 3.9-4.5 3.6/8172=97...(3) HA VAL 5 + HA LEU 29 OK 93 93 100 100 4.4-4.7 3.0/8172=100...(18) HA VAL 54 - HA LEU 29 far 0 70 0 - 6.6-7.1 HA ILE 7 - HA LEU 29 far 0 100 0 - 7.6-8.0 HA LEU 3 - HA LEU 29 far 0 100 0 - 8.3-8.8 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 4.3-4.8 8698/6476=94...(7) 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...(6) 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 3 assignments used, quality = 0.99: HA ARG 30 + QD2 LEU 29 OK 98 100 100 98 2.7-3.1 3.0/6480=70...(11) HA THR 31 + QD2 LEU 29 OK 73 81 95 96 3.7-4.4 3.2/8731=69...(7) HA ILE 56 - QD2 LEU 29 far 0 63 0 - 7.2-8.3 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 = 1.00: HA LEU 6 + QD2 LEU 29 OK 100 100 100 100 3.8-4.8 8698/6480=87...(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 2.0-2.8 3.0/8674=52, 8507=50...(23) HA ALA 18 - QD2 LEU 29 far 0 88 0 - 5.0-5.7 HA ALA 22 - QD2 LEU 29 far 0 81 0 - 5.5-6.2 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: HD2 ARG 19 + QD2 LEU 29 OK 99 99 100 100 2.0-3.8 3.0/8673=73, 3.6/8674=64...(24) HD3 ARG 19 + QD2 LEU 29 OK 94 99 95 100 2.2-4.6 3.0/8673=73, 3.6/8674=64...(23) HB3 TRP 92 - QD2 LEU 29 far 0 99 0 - 9.3-10.3 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 4.5-4.9 8684/2.1=83...(8) 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 2.0-2.7 8685/2.1=71, 3.0/8691=46...(25) HA ALA 18 + QD1 LEU 29 OK 85 88 100 96 3.5-3.9 2.1/8672=78, 3.6/8691=40...(9) HA ALA 22 + QD1 LEU 29 OK 64 81 80 99 3.7-4.0 3.0/8568=49, 2.1/1307=42...(16) HA SER 97 - QD1 LEU 29 far 0 94 0 - 8.3-9.5 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 4.8-5.6 772/8672=94...(8) 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 3.2-3.5 8568=100, 8569/8672=66...(21) H ILE 8 - QD1 LEU 29 far 0 97 0 - 6.5-7.0 Violated in 0 structures by 0.00 A. Peak 8691 from cnoeabs.peaks (8.90, 0.65, 26.64 ppm; 4.34 A): 1 out of 3 assignments used, quality = 1.00: H ARG 19 + QD1 LEU 29 OK 100 100 100 100 3.1-3.8 6283/8672=77...(25) H VAL 5 - QD1 LEU 29 far 5 92 5 - 4.5-5.3 H LEU 57 - QD1 LEU 29 far 0 75 0 - 6.0-6.7 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 4.7-5.2 8568/2.1=97, 786/8685=77...(14) H ILE 8 - QD2 LEU 29 far 0 85 0 - 6.7-7.6 Violated in 0 structures by 0.00 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 3.3-4.0 3.0/8685=72, 8691/2.1=68...(22) H VAL 5 - QD2 LEU 29 far 0 96 0 - 5.1-5.7 H LEU 57 - QD2 LEU 29 far 0 84 0 - 6.9-7.9 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 2.3-2.8 8172=100, 6053/8173=60...(13) H ARG 19 - HA LEU 29 far 0 97 0 - 7.9-8.5 H LEU 57 - HA LEU 29 far 0 96 0 - 8.2-8.7 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 4.0-4.3 8234/1.8=96, 218/8717=88...(7) 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 3.1-3.9 8906=65, 8911/8717=52...(16) QD TYR 41 + HB2 ARG 30 OK 94 94 100 100 3.5-3.9 2.2/8906=59...(18) 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 3.3-3.6 8234=92, 8698/6484=87...(10) 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 3.7-4.5 ~8906=49, ~14624=47...(18) QE TYR 41 + HB3 ARG 30 OK 92 93 100 99 4.2-5.2 8906/1.8=62, 8897/3.6=39...(16) HD1 TRP 92 - HB2 LYS 82 far 0 36 0 - 8.8-9.4 HD21 ASN 60 - HB2 LYS 82 far 0 34 0 - 8.8-9.4 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 = 0.99: HZ PHE 45 + HG2 ARG 30 OK 99 100 100 99 2.2-3.7 8215/8720=76...(7) Violated in 0 structures by 0.00 A. Peak 8702 from cnoeabs.peaks (6.44, 1.29, 26.44 ppm; 5.20 A): 2 out of 2 assignments used, quality = 0.97: QD TYR 4 + HG2 ARG 30 OK 90 100 100 90 4.1-5.0 14574/1.8=39...(13) QE TYR 4 + HG2 ARG 30 OK 70 99 85 83 4.9-5.6 ~14574=28, ~8708=27...(11) Violated in 0 structures by 0.00 A. Peak 8703 from cnoeabs.peaks (6.85, 1.29, 26.44 ppm; 4.91 A): 2 out of 2 assignments used, quality = 0.99: QE TYR 41 + HG2 ARG 30 OK 95 100 95 100 2.7-5.3 8906/2.9=57, 8897/3.0=44...(18) QD TYR 41 + HG2 ARG 30 OK 88 88 100 100 2.5-4.8 ~8906=40, ~14624=38...(23) 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 3.0-5.4 ~8906=46, ~14624=45...(22) QE TYR 41 + HG3 ARG 30 OK 84 93 90 100 2.6-5.6 8906/2.9=61, 8897/3.0=49...(19) HD1 TRP 92 + HG LEU 57 OK 29 30 100 97 4.1-4.8 9342/2.1=81, ~9999=57...(7) HD1 TRP 92 - HG2 ARG 79 far 0 43 0 - 9.1-10.4 HD1 TRP 92 - HG3 ARG 79 far 0 43 0 - 9.4-11.5 HE21 GLN 72 - HG3 ARG 79 far 0 65 0 - 9.9-12.4 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 6 assignments used, quality = 0.84: QD PHE 96 + HG2 ARG 79 OK 66 69 100 96 3.0-5.2 9700/3.0=78, ~10912=29...(12) QD PHE 96 + HG3 ARG 79 OK 52 68 80 95 4.5-6.0 9700/3.0=78, ~10912=29...(11) QD PHE 96 - HG LEU 57 far 0 50 0 - 7.0-7.8 HE ARG 91 - HG2 ARG 79 far 0 58 0 - 9.6-13.2 HE ARG 91 - HG LEU 57 far 0 42 0 - 9.8-12.6 QD PHE 96 - HG LEU 2 far 0 51 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 8707 from cnoeabs.peaks (6.15, 2.67, 42.61 ppm; 5.71 A increased from 5.38 A): 1 out of 1 assignment used, quality = 0.96: HZ PHE 45 + HD2 ARG 30 OK 96 99 100 97 3.7-5.7 8701/3.0=72...(6) Violated in 2 structures by 0.00 A. Peak 8708 from cnoeabs.peaks (6.47, 2.67, 42.61 ppm; 6.50 A increased from 6.08 A): 1 out of 2 assignments used, quality = 0.61: QD TYR 4 + HD2 ARG 30 OK 61 70 100 88 3.9-6.5 ~8702=31, 8702/3.0=28...(10) QE TYR 4 - HD2 ARG 30 poor 20 90 25 89 5.0-7.4 ~8702=40, ~14574=33...(9) Violated in 12 structures by 0.01 A. Peak 8709 from cnoeabs.peaks (6.83, 2.67, 42.61 ppm; 4.77 A increased from 4.49 A): 2 out of 2 assignments used, quality = 0.96: QE TYR 41 + HD2 ARG 30 OK 82 87 95 99 2.4-5.1 8710/1.8=42, 8906/3.6=42...(16) QD TYR 41 + HD2 ARG 30 OK 80 100 80 100 2.8-5.4 14618/8722=46...(18) Violated in 0 structures by 0.00 A. Peak 8710 from cnoeabs.peaks (6.84, 3.08, 42.61 ppm; 4.45 A): 2 out of 2 assignments used, quality = 0.99: QD TYR 41 + HD3 ARG 30 OK 91 98 95 99 3.2-5.4 2.2/8897=35, 8709/1.8=34...(17) QE TYR 41 + HD3 ARG 30 OK 91 97 95 99 2.7-4.8 8906/3.6=41, 8897=35...(16) Violated in 1 structures by 0.00 A. Peak 8716 from cnoeabs.peaks (0.81, 1.60, 32.55 ppm; 5.16 A): 1 out of 7 assignments used, quality = 0.84: QG2 VAL 32 + HB2 ARG 30 OK 84 93 100 91 3.6-3.8 8910/8906=49...(6) QG2 ILE 7 - HB2 ARG 30 far 5 97 5 - 5.4-5.7 QD2 LEU 38 - HB2 ARG 30 far 0 99 0 - 5.5-6.0 QG2 ILE 15 - HB2 ARG 30 far 0 100 0 - 7.2-7.8 QG2 ILE 8 - HB2 ARG 30 far 0 84 0 - 8.2-9.2 QD2 LEU 57 - HB2 ARG 30 far 0 95 0 - 8.3-10.1 QD1 LEU 70 - HB2 ARG 30 far 0 100 0 - 10.0-11.1 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 10 assignments used, quality = 0.99: QD2 LEU 6 + HB2 ARG 30 OK 99 100 100 99 2.1-2.3 8718/1.8=52, 8720/2.9=49...(16) QG1 VAL 5 - HB2 ARG 30 far 0 65 0 - 6.5-6.9 QD1 LEU 29 - HB2 ARG 30 far 0 63 0 - 6.6-6.8 QG2 VAL 54 - HB2 ARG 30 far 0 65 0 - 7.0-8.0 QD1 ILE 8 - HB2 ARG 30 far 0 93 0 - 7.5-8.0 HG13 ILE 56 - HB2 ARG 30 far 0 87 0 - 8.0-8.5 QD1 ILE 56 - HB2 ARG 30 far 0 95 0 - 8.4-8.7 QD1 LEU 42 - HB2 ARG 30 far 0 100 0 - 8.6-9.0 QD1 ILE 52 - HB2 ARG 30 far 0 100 0 - 8.7-9.7 QG1 VAL 58 - HB2 ARG 30 far 0 77 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 8718 from cnoeabs.peaks (0.69, 1.37, 32.55 ppm; 3.69 A): 2 out of 17 assignments used, quality = 1.00: QD2 LEU 6 + HB3 ARG 30 OK 99 100 100 99 1.9-2.0 8717/1.8=64, 8720/2.9=43...(18) QG2 VAL 58 + HB2 LYS 82 OK 59 59 100 100 3.0-3.5 10228/3.0=58...(18) QG1 VAL 58 - HB2 LYS 82 far 0 35 0 - 5.1-5.7 QG2 VAL 54 - HB3 ARG 30 far 0 75 0 - 5.7-6.8 QD1 LEU 29 - HB3 ARG 30 far 0 73 0 - 6.0-6.2 HG13 ILE 56 - HB3 ARG 30 far 0 79 0 - 7.3-7.8 QD1 ILE 52 - HB3 ARG 30 far 0 99 0 - 7.5-8.6 QD1 ILE 8 - HB3 ARG 30 far 0 87 0 - 7.8-8.2 QD1 ILE 56 - HB3 ARG 30 far 0 90 0 - 7.9-8.2 QD1 ILE 8 - HB2 LYS 82 far 0 48 0 - 7.9-8.5 QD1 LEU 42 - HB3 ARG 30 far 0 100 0 - 8.5-8.8 QD1 LEU 14 - HB2 LYS 82 far 0 60 0 - 8.9-9.2 QD1 ILE 56 - HB2 LYS 82 far 0 50 0 - 8.9-9.3 QD2 LEU 14 - HB2 LYS 82 far 0 49 0 - 9.3-9.6 QG2 VAL 78 - HB3 ARG 30 far 0 65 0 - 9.5-10.2 QG1 VAL 58 - HB3 ARG 30 far 0 68 0 - 9.6-10.0 QG2 VAL 78 - HB2 LYS 82 far 0 34 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 8719 from cnoeabs.peaks (0.80, 1.37, 32.55 ppm; 4.99 A): 3 out of 18 assignments used, quality = 0.95: QD1 LEU 6 + HB3 ARG 30 OK 82 82 100 100 4.0-4.2 ~8717=71, 2.1/8718=61...(10) QG2 VAL 32 + HB3 ARG 30 OK 63 70 100 91 4.4-4.5 8716/1.8=70...(6) QG1 VAL 54 + HB3 ARG 30 OK 28 65 90 47 4.7-5.4 6068/8233=39...(3) QD2 LEU 38 - HB3 ARG 30 far 0 85 0 - 5.7-6.2 QG2 ILE 7 - HB3 ARG 30 far 0 100 0 - 5.8-6.0 QD1 LEU 57 - HB2 LYS 82 far 0 41 0 - 5.9-6.1 QD2 LEU 57 - HB2 LYS 82 far 0 62 0 - 6.4-8.1 QD2 LEU 42 - HB3 ARG 30 far 0 75 0 - 7.1-7.5 QD2 LEU 57 - HB3 ARG 30 far 0 100 0 - 7.5-9.4 QG2 ILE 15 - HB3 ARG 30 far 0 98 0 - 7.7-8.3 QG2 ILE 8 - HB2 LYS 82 far 0 59 0 - 8.2-9.0 QD1 ILE 93 - HB3 ARG 30 far 0 81 0 - 8.4-9.6 QG2 ILE 8 - HB3 ARG 30 far 0 99 0 - 8.8-9.8 QD1 LEU 27 - HB3 ARG 30 far 0 79 0 - 8.8-9.4 QD1 ILE 76 - HB3 ARG 30 far 0 100 0 - 9.4-9.9 QG2 ILE 52 - HB3 ARG 30 far 0 93 0 - 9.4-10.2 QD1 ILE 15 - HB3 ARG 30 far 0 61 0 - 9.5-10.3 QD2 LEU 38 - HB2 LYS 82 far 0 47 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 8720 from cnoeabs.peaks (0.68, 1.29, 26.44 ppm; 4.40 A): 1 out of 9 assignments used, quality = 0.98: QD2 LEU 6 + HG2 ARG 30 OK 98 99 100 100 3.1-3.8 8717/2.9=64, 2.1/8721=54...(16) QD2 LEU 29 - HG2 ARG 30 far 0 71 0 - 4.8-6.0 QG2 VAL 54 - HG2 ARG 30 far 0 91 0 - 6.2-7.8 QD1 LEU 29 - HG2 ARG 30 far 0 90 0 - 6.6-7.7 QD1 ILE 52 - HG2 ARG 30 far 0 93 0 - 7.1-7.9 QD1 LEU 42 - HG2 ARG 30 far 0 98 0 - 9.0-10.3 HG13 ILE 56 - HG2 ARG 30 far 0 59 0 - 9.1-9.8 QD1 ILE 56 - HG2 ARG 30 far 0 73 0 - 9.2-9.9 QD1 ILE 8 - HG2 ARG 30 far 0 70 0 - 9.4-10.0 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 12 assignments used, quality = 0.80: QD1 LEU 6 + HG2 ARG 30 OK 80 100 80 100 4.9-5.8 2.1/8720=93, ~8717=61...(15) QG1 VAL 54 - HG2 ARG 30 far 0 100 0 - 5.8-6.7 QG2 ILE 7 - HG2 ARG 30 far 0 73 0 - 7.1-7.6 QD2 LEU 42 - HG2 ARG 30 far 0 100 0 - 7.6-8.9 QG1 VAL 78 - HG2 ARG 30 far 0 91 0 - 9.1-10.2 QD1 LEU 27 - HG2 ARG 30 far 0 100 0 - 9.1-10.5 QD2 LEU 27 - HG2 ARG 30 far 0 63 0 - 9.3-10.4 QG2 ILE 93 - HG2 ARG 30 far 0 96 0 - 9.3-10.7 QG2 ILE 52 - HG2 ARG 30 far 0 98 0 - 9.3-10.5 QD2 LEU 57 - HG2 ARG 30 far 0 79 0 - 9.3-11.2 QD1 ILE 93 - HG2 ARG 30 far 0 100 0 - 9.4-11.1 QD1 ILE 76 - HG2 ARG 30 far 0 70 0 - 9.5-11.0 Violated in 4 structures by 0.10 A. Peak 8722 from cnoeabs.peaks (0.69, 2.67, 42.61 ppm; 4.88 A increased from 4.59 A): 1 out of 10 assignments used, quality = 1.00: QD2 LEU 6 + HD2 ARG 30 OK 100 100 100 100 3.7-4.9 8717/3.6=72, 8720/3.0=69...(14) QD1 LEU 29 - HD2 ARG 30 far 0 63 0 - 6.0-8.5 QG1 VAL 5 - HD2 ARG 30 far 0 65 0 - 6.4-9.2 QG2 VAL 54 - HD2 ARG 30 far 0 65 0 - 7.5-9.6 QD1 ILE 52 - HD2 ARG 30 far 0 100 0 - 7.6-9.8 QD2 LEU 27 - HD2 ARG 30 far 0 59 0 - 8.4-12.2 QD1 ILE 8 - HD2 ARG 30 far 0 93 0 - 9.3-10.7 QD1 LEU 42 - HD2 ARG 30 far 0 100 0 - 9.4-11.5 HG13 ILE 56 - HD2 ARG 30 far 0 87 0 - 9.7-11.5 QD1 ILE 56 - HD2 ARG 30 far 0 95 0 - 9.9-11.2 Violated in 1 structures by 0.00 A. Peak 8723 from cnoeabs.peaks (0.68, 3.08, 42.61 ppm; 4.98 A): 2 out of 9 assignments used, quality = 1.00: QD2 LEU 6 + HD3 ARG 30 OK 100 100 100 100 3.6-4.9 8722/1.8=80, 8720/3.0=77...(11) QD2 LEU 29 + HD3 ARG 30 OK 23 61 55 68 4.2-6.2 4.6/1365=44...(3) QD1 LEU 29 - HD3 ARG 30 far 0 82 0 - 6.3-8.2 QG2 VAL 54 - HD3 ARG 30 far 0 84 0 - 8.4-9.6 QD1 ILE 52 - HD3 ARG 30 far 0 97 0 - 8.9-10.4 QD1 ILE 8 - HD3 ARG 30 far 0 79 0 - 9.0-10.7 QD1 LEU 42 - HD3 ARG 30 far 0 99 0 - 9.4-11.3 QD1 ILE 56 - HD3 ARG 30 far 0 82 0 - 9.9-11.1 HG13 ILE 56 - HD3 ARG 30 far 0 70 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 8724 from cnoeabs.peaks (0.79, 4.24, 69.49 ppm; 3.73 A): 2 out of 11 assignments used, quality = 1.00: QG2 ILE 7 + HB THR 31 OK 100 100 100 100 3.4-3.6 8282/2.1=81, 8255/3.0=56...(13) QG2 ILE 15 + HB THR 31 OK 75 95 80 99 3.6-4.3 10123/2.1=80...(11) QD1 ILE 15 - HB THR 31 far 0 71 0 - 4.1-4.8 QG2 VAL 32 - HB THR 31 far 0 59 0 - 4.6-4.9 HG13 ILE 15 - HB THR 31 far 0 61 0 - 5.2-6.6 QG2 ILE 8 - HB THR 31 far 0 100 0 - 5.8-6.9 QD2 LEU 38 - HB THR 31 far 0 77 0 - 6.9-7.2 QD1 LEU 6 - HB THR 31 far 0 90 0 - 7.6-8.0 QD2 LEU 57 - HB THR 31 far 0 100 0 - 9.2-10.7 QD1 ILE 93 - HB THR 31 far 0 88 0 - 9.2-10.0 QG1 VAL 54 - HB THR 31 far 0 75 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 8725 from cnoeabs.peaks (0.64, 4.24, 69.49 ppm; 5.34 A increased from 5.02 A): 1 out of 4 assignments used, quality = 1.00: QD2 LEU 29 + HB THR 31 OK 100 100 100 100 5.1-5.4 8731/2.1=99...(6) QD1 ILE 7 - HB THR 31 far 9 87 10 - 5.2-6.3 QD1 LEU 29 - HB THR 31 far 0 99 0 - 6.8-7.4 QD1 LEU 14 - HB THR 31 far 0 71 0 - 9.5-10.1 Violated in 2 structures by 0.00 A. Peak 8726 from cnoeabs.peaks (1.51, 4.24, 69.49 ppm; 4.59 A): 1 out of 5 assignments used, quality = 0.84: HG3 LYS 33 + HB THR 31 OK 84 100 100 84 3.8-4.1 10146/1383=59...(5) HG2 LYS 33 - HB THR 31 poor 11 63 35 49 4.7-5.2 3.9/8729=24, 3.9/8729=22 HB ILE 7 - HB THR 31 far 0 99 0 - 6.3-6.5 HG3 ARG 30 - HB THR 31 far 0 93 0 - 7.0-7.9 HG LEU 6 - HB THR 31 far 0 97 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 8727 from cnoeabs.peaks (1.72, 4.24, 69.49 ppm; 5.30 A): 2 out of 6 assignments used, quality = 0.89: HG12 ILE 15 + HB THR 31 OK 85 90 95 100 4.2-6.8 2.1/8447=86, ~8467=79...(12) HD3 LYS 33 + HB THR 31 OK 27 99 30 91 5.2-6.5 3.0/8726=72, 3.0/8729=37...(5) HD2 LYS 33 - HB THR 31 far 10 99 10 - 5.0-6.5 HB ILE 15 - HB THR 31 far 0 97 0 - 6.3-7.0 HD3 LYS 12 - HB THR 31 far 0 96 0 - 6.9-9.7 HD2 LYS 12 - HB THR 31 far 0 96 0 - 7.4-9.5 Violated in 1 structures by 0.02 A. Peak 8728 from cnoeabs.peaks (1.94, 4.24, 69.49 ppm; 5.89 A increased from 5.24 A): 1 out of 5 assignments used, quality = 1.00: HB VAL 32 + HB THR 31 OK 100 100 100 100 5.4-5.6 6509/1383=98, ~10165=70...(4) HB3 LYS 33 - HB THR 31 far 0 92 0 - 6.4-6.7 HB2 LYS 33 - HB THR 31 far 0 94 0 - 6.6-6.9 HB3 ARG 19 - HB THR 31 far 0 100 0 - 8.4-9.5 HB3 LEU 14 - HB THR 31 far 0 71 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 8729 from cnoeabs.peaks (3.03, 4.24, 69.49 ppm; 5.21 A): 2 out of 3 assignments used, quality = 0.94: HE2 LYS 33 + HB THR 31 OK 79 98 100 81 3.6-5.4 3.9/8726=59, 8735/2.1=22...(6) HE3 LYS 33 + HB THR 31 OK 71 98 90 80 3.5-5.6 3.9/8726=59, 8735/2.1=19...(6) HE2 LYS 12 - HB THR 31 far 0 85 0 - 6.2-10.6 Violated in 0 structures by 0.00 A. Peak 8730 from cnoeabs.peaks (0.79, 1.14, 22.10 ppm; 2.71 A): 2 out of 14 assignments used, quality = 0.99: QG2 ILE 7 + QG2 THR 31 OK 94 99 100 96 1.8-1.9 8282=62, 2.1/8275=29...(14) QG2 ILE 15 + QG2 THR 31 OK 85 90 100 95 1.8-2.2 10123=69, 3.0/8467=31...(15) QD1 ILE 15 - QG2 THR 31 far 4 81 5 - 2.9-3.5 HG13 ILE 15 - QG2 THR 31 far 0 71 0 - 3.3-4.4 QG2 ILE 8 - QG2 THR 31 far 0 100 0 - 5.5-6.4 QD1 ILE 93 - QG2 THR 31 far 0 94 0 - 6.1-6.8 QD2 LEU 38 - QG2 THR 31 far 0 68 0 - 6.4-6.6 QD1 LEU 6 - QG2 THR 31 far 0 95 0 - 6.7-6.9 QD2 LEU 57 - QG2 THR 31 far 0 99 0 - 6.7-8.1 QG1 VAL 54 - QG2 THR 31 far 0 84 0 - 7.6-8.1 QG2 ILE 93 - QG2 THR 31 far 0 63 0 - 7.7-8.2 QD1 LEU 57 - QG2 THR 31 far 0 57 0 - 8.0-8.3 QD1 LEU 27 - QG2 THR 31 far 0 93 0 - 9.4-9.8 QD2 LEU 42 - QG2 THR 31 far 0 91 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 8731 from cnoeabs.peaks (0.64, 1.14, 22.10 ppm; 3.17 A): 1 out of 7 assignments used, quality = 0.90: QD2 LEU 29 + QG2 THR 31 OK 90 100 100 90 2.7-3.0 1297=43, 10501/8282=34...(12) QD1 ILE 7 - QG2 THR 31 far 9 94 10 - 3.5-3.9 QD1 LEU 29 - QG2 THR 31 far 0 96 0 - 4.0-4.6 QD1 LEU 14 - QG2 THR 31 far 0 59 0 - 7.1-7.6 QG2 ILE 56 - QG2 THR 31 far 0 59 0 - 7.2-7.5 QG2 VAL 58 - QG2 THR 31 far 0 63 0 - 9.1-9.6 QG2 VAL 54 - QG2 THR 31 far 0 96 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 8732 from cnoeabs.peaks (1.52, 1.14, 22.10 ppm; 4.02 A increased from 3.57 A): 1 out of 9 assignments used, quality = 1.00: HB ILE 7 + QG2 THR 31 OK 100 100 100 100 3.8-3.9 8275=100, 2.1/8282=89...(11) HG3 LYS 33 - QG2 THR 31 far 0 98 0 - 4.9-5.3 HG3 ARG 30 - QG2 THR 31 far 0 97 0 - 5.8-6.7 HG2 LYS 33 - QG2 THR 31 far 0 73 0 - 5.9-6.4 HG LEU 6 - QG2 THR 31 far 0 99 0 - 6.8-7.2 HG LEU 57 - QG2 THR 31 far 0 96 0 - 8.0-8.6 HB2 LEU 14 - QG2 THR 31 far 0 100 0 - 8.1-8.6 HG3 LYS 13 - QG2 THR 31 far 0 93 0 - 9.8-10.6 HG12 ILE 56 - QG2 THR 31 far 0 96 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 8733 from cnoeabs.peaks (1.72, 1.14, 22.10 ppm; 3.85 A): 2 out of 9 assignments used, quality = 0.89: HG12 ILE 15 + QG2 THR 31 OK 85 90 95 100 2.4-4.6 2.1/8467=78...(13) HB ILE 15 + QG2 THR 31 OK 24 97 25 100 4.0-4.4 2.1/10123=89...(10) HD3 LYS 12 - QG2 THR 31 far 0 96 0 - 5.1-8.0 HD3 LYS 33 - QG2 THR 31 far 0 99 0 - 5.8-7.1 HD2 LYS 33 - QG2 THR 31 far 0 99 0 - 5.8-7.3 HD2 LYS 12 - QG2 THR 31 far 0 96 0 - 5.9-7.2 HD2 LYS 20 - QG2 THR 31 far 0 61 0 - 8.1-9.4 HB2 GLU 28 - QG2 THR 31 far 0 82 0 - 9.0-9.3 HD2 LYS 13 - QG2 THR 31 far 0 96 0 - 10.0-12.2 Violated in 1 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: HB3 ARG 19 - QG2 THR 31 far 0 70 0 - 5.0-5.9 HB2 ARG 19 - QG2 THR 31 far 0 100 0 - 5.1-6.1 HB VAL 5 - QG2 THR 31 far 0 70 0 - 6.7-7.1 HB3 LEU 14 - QG2 THR 31 far 0 100 0 - 6.8-7.3 HB ILE 8 - QG2 THR 31 far 0 100 0 - 6.9-7.3 HB3 LYS 33 - QG2 THR 31 far 0 92 0 - 7.0-7.4 HB2 LYS 12 - QG2 THR 31 far 0 75 0 - 7.0-7.6 HB2 LYS 33 - QG2 THR 31 far 0 90 0 - 7.4-7.8 HB3 LYS 12 - QG2 THR 31 far 0 79 0 - 7.8-8.2 HB3 LYS 20 - QG2 THR 31 far 0 59 0 - 8.8-10.4 HB2 LYS 20 - QG2 THR 31 far 0 100 0 - 9.1-10.5 HB2 LYS 13 - QG2 THR 31 far 0 91 0 - 9.3-9.8 HB3 LYS 13 - QG2 THR 31 far 0 93 0 - 9.8-10.2 Violated in 13 structures by 0.06 A. Peak 8735 from cnoeabs.peaks (3.03, 1.14, 22.10 ppm; 5.84 A increased from 4.92 A): 3 out of 5 assignments used, quality = 0.96: HE2 LYS 33 + QG2 THR 31 OK 73 100 100 74 4.6-6.0 8729/2.1=48, ~8729=34...(4) HE3 LYS 33 + QG2 THR 31 OK 64 100 90 71 4.4-6.4 8729/2.1=42, ~8729=38...(4) HB2 SER 9 + QG2 THR 31 OK 58 65 90 99 5.2-6.2 4.0/8314=74...(8) HE2 LYS 12 - QG2 THR 31 poor 16 92 40 44 4.7-8.4 10392/8467=38, 10392/10123=9 HB3 ASP 11 - QG2 THR 31 far 0 71 0 - 8.0-8.8 Violated in 0 structures by 0.00 A. Peak 8742 from cnoeabs.peaks (9.11, 1.14, 22.10 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.96: H ARG 30 + QG2 THR 31 OK 96 96 100 100 4.6-5.0 4.6/8731=96, 4.6/6501=94...(5) Violated in 0 structures by 0.00 A. Peak 8746 from cnoeabs.peaks (1.17, 1.92, 34.35 ppm; 3.42 A): 2 out of 9 assignments used, quality = 1.00: QG2 THR 34 + HB2 LYS 33 OK 96 100 100 96 2.2-2.3 8757=51, 6542/6533=50...(9) QG2 THR 34 + HB3 LYS 33 OK 94 100 100 94 3.2-3.5 8757=49, 8755/2.8=40...(9) HB2 LEU 6 - HB VAL 32 far 0 63 0 - 5.4-5.8 QG2 THR 31 - HB VAL 32 far 0 45 0 - 5.5-5.8 QG2 THR 34 - HB VAL 32 far 0 65 0 - 6.6-6.9 QG2 THR 31 - HB3 LYS 33 far 0 79 0 - 7.0-7.4 QG2 THR 31 - HB2 LYS 33 far 0 79 0 - 7.4-7.8 HB2 LEU 57 - HB VAL 32 far 0 48 0 - 8.7-9.0 HG2 LYS 40 - HB VAL 32 far 0 62 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 8755 from cnoeabs.peaks (1.52, 1.17, 21.62 ppm; 4.30 A increased from 3.82 A): 1 out of 3 assignments used, quality = 0.83: HG2 LYS 33 + QG2 THR 34 OK 83 84 100 99 4.1-4.1 10522=73, 4.9/6542=48...(9) HG3 LYS 33 - QG2 THR 34 far 0 94 0 - 4.8-4.9 HG3 LYS 66 - QG2 THR 34 far 0 79 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 8756 from cnoeabs.peaks (1.73, 1.17, 21.62 ppm; 4.90 A increased from 4.35 A): 2 out of 3 assignments used, quality = 0.97: HD2 LYS 33 + QG2 THR 34 OK 88 100 90 98 4.4-5.5 3.0/8755=77, 3.5/8757=43...(7) HD3 LYS 33 + QG2 THR 34 OK 78 100 80 98 4.5-5.3 3.0/8755=77, 3.5/8757=43...(7) HG12 ILE 15 - QG2 THR 34 far 0 71 0 - 9.8-11.1 Violated in 0 structures by 0.00 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 93 100 100 93 2.2-2.3 6532/6542=44, 8746=41...(10) HB3 LYS 33 + QG2 THR 34 OK 90 100 100 90 3.2-3.5 8746=41, 2.8/8755=34...(9) HB VAL 32 - QG2 THR 34 far 0 92 0 - 6.6-6.9 HB ILE 8 - QG2 THR 34 far 0 85 0 - 8.4-9.1 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 3 assignments used, quality = 1.00: HG3 GLU 37 + QG2 THR 34 OK 100 100 100 100 3.1-4.2 8753/6542=67...(11) HB3 GLU 37 - QG2 THR 34 far 0 98 0 - 5.3-5.8 HB3 GLU 35 - QG2 THR 34 far 0 71 0 - 5.8-6.1 Violated in 0 structures by 0.00 A. Peak 8759 from cnoeabs.peaks (2.26, 1.17, 21.62 ppm; 5.03 A increased from 4.73 A): 1 out of 3 assignments used, quality = 1.00: HG2 GLU 37 + QG2 THR 34 OK 100 100 100 100 3.0-5.0 8843=100, 1.8/8758=92...(7) HG2 GLU 63 - QG2 THR 34 far 0 70 0 - 7.4-8.5 HG2 GLU 62 - QG2 THR 34 far 0 100 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 8760 from cnoeabs.peaks (2.52, 1.17, 21.62 ppm; 5.55 A increased from 4.67 A): 2 out of 3 assignments used, quality = 1.00: HB3 ASP 36 + QG2 THR 34 OK 95 96 100 100 4.2-5.8 3.6/8767=81, 4.0/8830=73...(8) HB2 ASP 36 + QG2 THR 34 OK 94 95 100 100 4.1-5.8 3.6/8767=81, 4.0/8830=73...(8) HG3 GLU 63 - QG2 THR 34 far 0 100 0 - 7.7-9.3 Violated in 0 structures by 0.00 A. Peak 8761 from cnoeabs.peaks (3.03, 1.17, 21.62 ppm; 6.50 A increased from 5.41 A): 2 out of 4 assignments used, quality = 1.00: HE2 LYS 33 + QG2 THR 34 OK 99 99 100 100 5.5-6.7 3.9/8755=92, 7.5/8768=51...(6) HE3 LYS 33 + QG2 THR 34 OK 99 99 100 100 5.6-6.6 3.9/8755=92, 7.5/8768=51...(6) HE2 LYS 12 - QG2 THR 34 far 0 90 0 - 9.2-12.3 HB2 SER 9 - QG2 THR 34 far 0 61 0 - 9.8-10.8 Violated in 0 structures by 0.00 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, 3.6/8767=92...(9) HA LEU 38 - QG2 THR 34 far 0 100 0 - 7.6-7.9 HA GLU 63 - QG2 THR 34 far 0 63 0 - 8.2-9.2 HA LYS 40 - QG2 THR 34 far 0 98 0 - 9.7-10.2 HA ALA 67 - QG2 THR 34 far 0 88 0 - 9.8-10.5 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 4.1-4.4 8830=100, 8822/2.1=83...(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 4.3-4.4 8794/2.1=94, 8782=90...(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 3.6-3.8 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 4.8-5.0 6547/3.0=98, 8794/3.6=90...(8) HA ILE 8 - HA GLU 35 far 0 94 0 - 8.4-9.3 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 10 assignments used, quality = 0.67: HG2 LYS 68 + HA ASP 65 OK 38 40 100 95 2.0-2.3 7111/7100=38...(17) HD2 LYS 68 + HA ASP 65 OK 32 46 75 93 2.0-4.3 3.0/10267=31...(20) HD3 LYS 68 + HA ASP 65 OK 21 46 50 93 2.3-4.4 3.0/10267=31...(19) HD2 LYS 39 - HA ASP 36 far 0 100 0 - 4.0-5.9 HB3 LYS 40 - HA ASP 36 far 0 90 0 - 4.7-6.0 HB2 LYS 40 - HA ASP 36 far 0 96 0 - 4.8-5.7 HD3 LYS 39 - HA ASP 36 far 0 92 0 - 5.7-6.6 HG LEU 70 - HA ASP 36 far 0 63 0 - 7.2-8.9 HG LEU 70 - HA ASP 65 far 0 24 0 - 7.7-8.2 HD2 LYS 73 - HA ASP 36 far 0 100 0 - 9.1-13.2 Violated in 0 structures by 0.00 A. Peak 8788 from cnoeabs.peaks (2.87, 4.29, 56.96 ppm; 4.97 A increased from 4.42 A): 4 out of 10 assignments used, quality = 0.99: HE3 LYS 39 + HA ASP 36 OK 98 100 100 98 3.4-4.8 10564=69, 4.9/10537=60...(9) HE2 LYS 39 + HA ASP 36 OK 44 100 45 98 3.4-6.3 4.9/10537=60...(8) HE3 LYS 68 + HA ASP 65 OK 26 26 100 99 2.0-5.0 3.6/10562=56...(21) HE2 LYS 68 + HA ASP 65 OK 24 24 100 99 2.1-5.0 3.6/10562=56...(20) HE3 LYS 66 - HA ASP 65 poor 7 33 20 - 4.4-8.5 HE2 LYS 66 - HA ASP 65 far 0 38 0 - 5.7-8.3 HE2 LYS 66 - HA ASP 36 far 0 90 0 - 8.7-13.2 HB2 ASN 60 - HA ASP 65 far 0 40 0 - 9.0-9.2 HE3 LYS 66 - HA ASP 36 far 0 81 0 - 9.1-13.2 HE3 LYS 82 - HA ASP 65 far 0 41 0 - 9.4-11.4 Violated in 0 structures by 0.00 A. Peak 8789 from cnoeabs.peaks (2.10, 2.50, 40.21 ppm; 4.46 A increased from 3.75 A): 5 out of 23 assignments used, quality = 0.99: HB2 LEU 64 + HB2 ASP 61 OK 83 93 90 99 4.5-5.0 9449/3.0=79...(12) HG3 GLU 37 + HB3 ASP 36 OK 78 100 90 86 3.1-6.9 1608/4.0=58...(7) HG3 GLU 37 + HB2 ASP 36 OK 39 100 50 78 3.2-5.8 1608/4.0=58...(6) HG2 GLU 88 + HB3 ASP 87 OK 26 59 80 54 3.1-6.3 3886/4.6=28...(5) HG2 GLU 88 + HB2 ASP 87 OK 23 59 70 55 3.1-5.5 3886/4.6=28...(5) HB3 GLU 62 - HB2 ASP 61 far 13 86 15 - 4.6-5.6 HB3 PRO 86 - HB2 ASP 87 far 5 96 5 - 4.7-5.7 HB3 GLU 37 - HB3 ASP 36 far 0 92 0 - 5.5-6.8 HB3 GLU 88 - HB3 ASP 87 far 0 73 0 - 5.5-6.8 HB3 PRO 86 - HB3 ASP 87 far 0 96 0 - 5.5-6.2 HB3 GLU 37 - HB2 ASP 36 far 0 92 0 - 5.7-7.3 HB3 GLU 88 - HB2 ASP 87 far 0 73 0 - 5.7-7.3 HB3 GLU 35 - HB2 ASP 36 far 0 85 0 - 5.9-7.4 HB2 PRO 86 - HB2 ASP 87 far 0 91 0 - 6.0-6.7 HB3 GLU 35 - HB3 ASP 36 far 0 85 0 - 6.2-7.4 HB2 PRO 86 - HB3 ASP 87 far 0 91 0 - 6.6-7.5 HB3 LEU 38 - HB2 ASP 36 far 0 71 0 - 6.6-7.8 HB3 LEU 38 - HB3 ASP 36 far 0 71 0 - 6.8-7.7 HB VAL 83 - HB2 ASP 87 far 0 95 0 - 6.8-8.5 HB VAL 83 - HB3 ASP 87 far 0 95 0 - 7.0-8.5 QE MET 21 - HB3 ASP 87 far 0 95 0 - 9.2-10.3 HG2 GLU 69 - HB2 ASP 61 far 0 81 0 - 9.3-9.7 QE MET 21 - HB2 ASP 87 far 0 95 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 8790 from cnoeabs.peaks (1.81, 2.50, 40.21 ppm; 4.58 A): 0 out of 11 assignments used, quality = 0.00: HB2 LYS 39 - HB2 ASP 36 far 0 99 0 - 4.9-6.5 HB2 GLU 88 - HB2 ASP 87 far 0 96 0 - 4.9-6.6 HB2 LYS 90 - HB3 ASP 87 far 0 96 0 - 4.9-5.9 HB2 GLU 88 - HB3 ASP 87 far 0 96 0 - 5.0-6.3 HB2 LYS 39 - HB3 ASP 36 far 0 98 0 - 5.1-6.6 HB2 LYS 90 - HB2 ASP 87 far 0 96 0 - 5.5-6.2 HB3 LYS 90 - HB3 ASP 87 far 0 78 0 - 6.5-7.6 HB3 GLU 63 - HB2 ASP 61 far 0 66 0 - 6.8-7.1 HB3 LYS 90 - HB2 ASP 87 far 0 78 0 - 7.0-7.9 HB2 LEU 42 - HB2 ASP 36 far 0 100 0 - 9.5-10.9 HB2 LEU 42 - HB3 ASP 36 far 0 100 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 8791 from cnoeabs.peaks (1.66, 2.50, 40.21 ppm; 6.05 A increased from 5.09 A): 7 out of 22 assignments used, quality = 1.00: HB2 LYS 40 + HB3 ASP 36 OK 86 96 100 89 4.4-6.2 1782/8833=54...(6) HG2 PRO 86 + HB2 ASP 87 OK 64 68 100 94 3.6-6.2 ~10967=72, 3838/4.0=39...(6) HD3 LYS 90 + HB2 ASP 87 OK 61 61 100 100 4.4-6.1 ~10316=70, ~10314=61...(13) HD3 LYS 90 + HB3 ASP 87 OK 61 61 100 100 5.1-6.1 ~10316=70, ~10314=61...(13) HB3 LYS 40 + HB3 ASP 36 OK 53 89 85 69 4.1-6.8 1794/8833=48...(3) HB3 ARG 91 + HB3 ASP 87 OK 48 84 95 60 5.2-6.5 4034/10968=22...(6) HB2 LYS 40 + HB2 ASP 36 OK 45 96 65 72 5.0-7.1 8828/4.0=37...(6) HD2 LYS 39 - HB2 ASP 36 poor 20 100 20 - 5.6-8.7 HB3 LYS 40 - HB2 ASP 36 poor 19 90 40 52 4.6-7.3 8828/4.0=32...(3) HD2 LYS 39 - HB3 ASP 36 far 15 100 15 - 6.0-8.8 HG2 PRO 86 - HB3 ASP 87 poor 14 68 20 - 4.8-7.1 HB3 ARG 91 - HB2 ASP 87 poor 12 84 30 48 6.2-7.4 10313/3.0=14...(6) HD3 LYS 39 - HB2 ASP 36 far 0 92 0 - 7.2-9.2 HD2 LYS 68 - HB2 ASP 61 far 0 92 0 - 7.4-10.0 HD3 LYS 39 - HB3 ASP 36 far 0 92 0 - 7.8-9.7 HD3 LYS 68 - HB2 ASP 61 far 0 92 0 - 7.9-10.5 HD2 LYS 94 - HB3 ASP 87 far 0 57 0 - 8.3-13.6 HG2 LYS 68 - HB2 ASP 61 far 0 84 0 - 8.4-8.9 HD2 LYS 13 - HB2 ASP 87 far 0 53 0 - 9.5-12.9 HD2 LYS 94 - HB2 ASP 87 far 0 57 0 - 9.6-13.5 HG LEU 70 - HB3 ASP 36 far 0 63 0 - 9.6-11.4 HG LEU 70 - HB2 ASP 36 far 0 63 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 8792 from cnoeabs.peaks (1.46, 2.50, 40.21 ppm; 5.22 A increased from 4.91 A): 1 out of 20 assignments used, quality = 0.92: HD2 LYS 82 + HB2 ASP 61 OK 92 94 100 98 4.6-5.4 9766/3.0=75...(6) HB2 ARG 91 - HB3 ASP 87 poor 19 80 55 44 5.0-6.4 7445/7446=19...(5) HD2 LYS 40 - HB3 ASP 36 poor 17 100 35 49 4.8-6.9 12310/8833=23...(6) HD2 LYS 40 - HB2 ASP 36 far 15 100 15 - 5.4-7.9 HD3 LYS 40 - HB3 ASP 36 far 0 100 0 - 5.7-8.4 HD3 LYS 40 - HB2 ASP 36 far 0 100 0 - 5.9-9.3 HB3 LEU 64 - HB2 ASP 61 far 0 71 0 - 6.0-6.4 HB2 ARG 91 - HB2 ASP 87 far 0 80 0 - 6.0-7.2 HG3 LYS 39 - HB3 ASP 36 far 0 91 0 - 6.3-8.7 HG LEU 64 - HB2 ASP 61 far 0 85 0 - 6.4-7.0 HG3 LYS 39 - HB2 ASP 36 far 0 91 0 - 6.6-8.7 HB2 LEU 38 - HB2 ASP 36 far 0 100 0 - 7.0-7.7 HB2 LEU 38 - HB3 ASP 36 far 0 100 0 - 7.1-7.8 HG2 LYS 66 - HB2 ASP 61 far 0 70 0 - 7.3-8.2 HG3 ARG 91 - HB3 ASP 87 far 0 94 0 - 7.5-8.7 HG3 ARG 91 - HB2 ASP 87 far 0 94 0 - 8.2-9.7 HG3 LYS 66 - HB2 ASP 61 far 0 66 0 - 8.8-9.6 HG LEU 38 - HB2 ASP 36 far 0 100 0 - 8.9-9.9 HG LEU 38 - HB3 ASP 36 far 0 100 0 - 9.1-10.0 HG3 LYS 66 - HB2 ASP 36 far 0 75 0 - 9.6-12.9 Violated in 3 structures by 0.02 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 94 99 95 99 4.2-5.8 8767/3.6=79, 8830/4.0=71...(8) QG2 THR 34 + HB2 ASP 36 OK 94 99 95 99 4.1-5.8 8767/3.6=79, 8830/4.0=71...(8) HG2 LYS 40 - HB3 ASP 36 far 0 99 0 - 6.5-8.4 HG2 LYS 40 - HB2 ASP 36 far 0 99 0 - 6.9-9.2 HG3 LYS 82 - HB2 ASP 61 far 0 70 0 - 7.4-8.0 Violated in 0 structures by 0.00 A. Peak 8796 from cnoeabs.peaks (7.57, 2.51, 40.21 ppm; 3.98 A increased from 3.54 A): 2 out of 4 assignments used, quality = 0.99: H GLU 88 + HB2 ASP 87 OK 92 95 100 97 2.6-4.0 4.6=64, 7386/4.0=52...(14) H GLU 88 + HB3 ASP 87 OK 92 95 100 96 2.8-4.0 4.6=64, 7386/4.0=52...(13) H LEU 38 - HB2 ASP 36 far 0 59 0 - 4.9-6.1 H LEU 38 - HB3 ASP 36 far 0 59 0 - 4.9-6.1 Violated in 0 structures by 0.00 A. Peak 8797 from cnoeabs.peaks (7.45, 2.51, 40.21 ppm; 5.92 A increased from 4.73 A): 4 out of 4 assignments used, quality = 0.99: H ARG 91 + HB3 ASP 87 OK 78 84 100 93 5.2-6.1 9963/3.0=80...(6) H ALA 89 + HB3 ASP 87 OK 73 77 95 99 5.3-6.2 7397/4.6=77, 9897/4.0=76...(7) H ALA 89 + HB2 ASP 87 OK 69 77 90 99 5.2-6.3 7397/4.6=77, 9897/4.0=76...(7) H ARG 91 + HB2 ASP 87 OK 38 84 50 91 5.9-6.7 9963/3.0=80...(5) Violated in 0 structures by 0.00 A. Peak 8798 from cnoeabs.peaks (8.39, 2.51, 40.21 ppm; 4.49 A): 1 out of 4 assignments used, quality = 0.90: H GLU 62 + HB2 ASP 61 OK 90 90 100 100 2.7-3.5 4.4=100 H GLU 63 - HB2 ASP 61 far 0 93 0 - 5.2-5.8 H ILE 93 - HB3 ASP 87 far 0 71 0 - 9.4-9.8 H ILE 93 - HB2 ASP 87 far 0 71 0 - 9.8-10.5 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 3.2-3.6 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 = 0.95: H GLU 35 + HB2 ASP 36 OK 80 100 80 100 4.6-6.2 6556/3.6=88...(8) H GLU 35 + HB3 ASP 36 OK 74 100 75 99 4.6-6.2 6556/3.6=88, 8803/4.0=60...(7) H THR 84 - HB2 ASP 87 far 0 80 0 - 7.2-9.0 H THR 84 - HB3 ASP 87 far 0 80 0 - 7.3-9.2 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): 1 out of 10 assignments used, quality = 0.27: HG LEU 64 + HA ASP 65 OK 27 27 100 100 3.3-3.5 ~7052=47, ~2841=45...(24) HG3 LYS 39 - HA ASP 36 far 5 100 5 - 4.6-5.8 HB2 LEU 38 - HA ASP 36 far 0 99 0 - 5.4-6.1 HD2 LYS 40 - HA ASP 36 far 0 94 0 - 6.2-7.1 HD3 LYS 40 - HA ASP 36 far 0 93 0 - 6.6-8.6 HD2 LYS 82 - HA ASP 65 far 0 44 0 - 7.5-8.6 QB ALA 71 - HA ASP 65 far 0 25 0 - 7.5-7.8 HG LEU 38 - HA ASP 36 far 0 98 0 - 7.7-8.2 HG LEU 38 - HA ASP 65 far 0 44 0 - 8.9-9.6 QB ALA 71 - HA ASP 36 far 0 65 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 8806 from cnoeabs.peaks (7.25, 3.71, 58.70 ppm; 5.54 A increased from 5.21 A): 1 out of 1 assignment used, quality = 0.99: H THR 34 + HA GLU 37 OK 99 99 100 100 5.2-5.4 8762=97, 8752/3.0=96...(9) Violated in 0 structures by 0.00 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 4.3-4.6 6657/6640=77...(23) QE TYR 41 + HA GLU 37 OK 85 85 100 100 4.0-4.2 8813/1581=74...(22) 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 2.4-2.9 8752=98, 8753/3.0=68...(11) 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 2.7-3.7 8813/3.0=66, 8815/3.0=58...(17) QD TYR 41 + HB2 GLU 37 OK 95 95 100 100 3.9-4.8 14619/8836=45, ~8813=43...(21) Violated in 0 structures by 0.00 A. Peak 8810 from cnoeabs.peaks (7.25, 2.13, 30.20 ppm; 4.50 A increased from 4.00 A): 1 out of 1 assignment used, quality = 1.00: H THR 34 + HB3 GLU 37 OK 100 100 100 100 3.9-4.4 8752/1.8=97, 8753/3.0=81...(11) Violated in 0 structures by 0.00 A. Peak 8811 from cnoeabs.peaks (6.84, 2.13, 30.20 ppm; 5.09 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 41 + HB3 GLU 37 OK 98 98 100 100 3.3-3.9 14619/8839=55...(25) QE TYR 41 + HB3 GLU 37 OK 96 96 100 100 2.0-2.4 8813/3.0=78, 8815/3.0=67...(21) 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 2.1-4.5 8753/1.8=99, 8754=99...(12) 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 3.7-4.5 8815/1.8=58...(20) QD TYR 41 - HG2 GLU 37 far 0 100 0 - 5.1-6.0 HD21 ASN 60 - HG3 GLU 62 far 0 39 0 - 6.7-7.7 HD21 ASN 60 - HG2 GLU 62 far 0 39 0 - 6.7-7.5 Violated in 2 structures by 0.01 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 2.9-3.9 8752/3.0=81, 8753=80...(14) Violated in 0 structures by 0.00 A. Peak 8815 from cnoeabs.peaks (6.85, 2.11, 36.95 ppm; 5.00 A increased from 4.44 A): 1 out of 2 assignments used, quality = 1.00: QE TYR 41 + HG3 GLU 37 OK 100 100 100 100 3.4-5.0 8813/1.8=82...(18) QD TYR 41 - HG3 GLU 37 far 0 88 0 - 5.3-6.4 Violated in 1 structures by 0.00 A. Peak 8816 from cnoeabs.peaks (9.32, 2.11, 36.95 ppm; 4.82 A): 1 out of 1 assignment used, quality = 0.96: H LYS 33 + HG3 GLU 37 OK 96 96 100 100 2.7-4.3 8817/1.8=77...(14) 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 2.7-4.5 8748=88, 8816/1.8=82...(12) Violated in 0 structures by 0.00 A. Peak 8818 from cnoeabs.peaks (9.32, 2.13, 30.20 ppm; 4.76 A): 1 out of 1 assignment used, quality = 0.96: H LYS 33 + HB3 GLU 37 OK 96 96 100 100 3.3-3.8 8819/1.8=83...(13) Violated in 0 structures by 0.00 A. Peak 8819 from cnoeabs.peaks (9.32, 1.98, 30.20 ppm; 4.62 A): 1 out of 1 assignment used, quality = 0.96: H LYS 33 + HB2 GLU 37 OK 96 96 100 100 2.6-3.1 6530/8752=81...(12) 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 2.8-3.3 10144/1.8=88...(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 2.7-3.3 10144=90, 8823/1.8=89...(20) 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 1 assignment used, quality = 0.99: HA VAL 32 + HG2 GLU 37 OK 99 99 100 100 3.5-5.0 10144/3.0=89...(18) 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 3.2-5.0 10144/3.0=79...(20) Violated in 2 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 = 0.99: HB3 ASP 36 + HA GLU 37 OK 98 100 100 98 4.0-4.7 6569/3.0=68, 3.6/8795=46...(14) HB2 ASP 36 + HA GLU 37 OK 44 100 45 98 4.1-5.6 ~6570=48, ~6569=48...(13) HB2 ASP 87 - HA LEU 14 far 0 45 0 - 7.9-8.5 HB3 ASP 87 - HA LEU 14 far 0 45 0 - 8.3-9.6 Violated in 0 structures by 0.00 A. Peak 8834 from cnoeabs.peaks (2.77, 3.71, 58.70 ppm; 5.85 A increased from 5.20 A): 2 out of 3 assignments used, quality = 1.00: HE3 LYS 40 + HA GLU 37 OK 100 100 100 100 4.4-6.0 4.8/1782=79, 4.8/1794=78...(14) HE2 LYS 40 + HA GLU 37 OK 100 100 100 100 4.3-6.0 4.8/1782=79, 4.8/1794=78...(13) HE2 LYS 90 - HA LEU 14 far 1 24 5 - 5.2-8.1 Violated in 0 structures by 0.00 A. Peak 8835 from cnoeabs.peaks (1.17, 3.71, 58.70 ppm; 5.07 A increased from 4.77 A): 1 out of 6 assignments used, quality = 0.96: HG2 LYS 40 + HA GLU 37 OK 96 96 100 100 4.2-5.1 8962=94, 2.9/1782=89...(18) QG2 THR 34 - HA GLU 37 far 0 100 0 - 5.8-6.3 QG2 THR 31 - HA LEU 14 far 0 26 0 - 7.7-8.3 HB2 LEU 57 - HA LEU 14 far 0 36 0 - 8.7-9.3 QG2 THR 31 - HA GLU 37 far 0 71 0 - 9.4-9.6 HB2 LEU 6 - HA GLU 37 far 0 100 0 - 9.8-10.3 Violated in 2 structures by 0.00 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 1.9-2.1 8839/1.8=69...(22) HG13 ILE 8 - HB2 GLU 37 far 0 96 0 - 5.7-8.3 Violated in 0 structures by 0.00 A. Peak 8837 from cnoeabs.peaks (0.79, 1.98, 30.20 ppm; 4.66 A increased from 4.14 A): 1 out of 10 assignments used, quality = 0.59: QD2 LEU 38 + HB2 GLU 37 OK 59 73 100 80 4.4-4.7 4.5/6581=60, 8840/1.8=30...(6) QG2 ILE 8 - HB2 GLU 37 far 0 100 0 - 5.6-6.7 QD1 LEU 6 - HB2 GLU 37 far 0 92 0 - 5.9-6.6 QD1 LEU 70 - HB2 GLU 37 far 0 85 0 - 6.2-7.3 QD2 LEU 70 - HB2 GLU 37 far 0 95 0 - 7.4-8.8 QG2 ILE 7 - HB2 GLU 37 far 0 99 0 - 7.7-8.3 QD2 LEU 42 - HB2 GLU 37 far 0 87 0 - 8.6-9.1 QG1 VAL 54 - HB2 GLU 37 far 0 79 0 - 8.7-9.5 QD1 ILE 15 - HB2 GLU 37 far 0 75 0 - 9.3-10.0 QG2 ILE 15 - HB2 GLU 37 far 0 93 0 - 9.6-10.3 Violated in 2 structures by 0.00 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 5.3-5.8 8758/3.0=89...(6) HG2 LYS 40 + HB3 GLU 37 OK 34 99 35 100 5.3-7.0 8835/3.0=81, ~1782=61...(18) QG2 THR 31 - HB3 GLU 37 far 0 81 0 - 7.3-7.7 HB2 LEU 6 - HB3 GLU 37 far 0 99 0 - 8.2-9.1 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 2.5-3.3 8836/1.8=80, 8849/3.0=55...(23) 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 = 0.96: QG2 VAL 32 + HB3 GLU 37 OK 85 85 100 100 2.6-3.4 2.1/8839=93, ~8836=73...(22) QD2 LEU 38 + HB3 GLU 37 OK 72 96 80 95 4.5-5.3 8837/1.8=77, 4.5/1600=59...(5) QD1 LEU 6 - HB3 GLU 37 far 0 65 0 - 5.5-6.3 QG2 ILE 8 - HB3 GLU 37 far 0 92 0 - 6.3-7.9 QD1 LEU 70 - HB3 GLU 37 far 0 99 0 - 7.1-8.3 QG2 ILE 7 - HB3 GLU 37 far 0 99 0 - 7.7-8.1 QD2 LEU 70 - HB3 GLU 37 far 0 100 0 - 8.3-9.7 QG2 ILE 15 - HB3 GLU 37 far 0 100 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 8841 from cnoeabs.peaks (1.68, 2.26, 36.95 ppm; 5.83 A increased from 4.91 A): 4 out of 14 assignments used, quality = 0.96: HB2 LYS 40 + HG2 GLU 37 OK 69 70 100 100 4.1-6.1 8846/1.8=89...(11) HB3 LYS 40 + HG2 GLU 37 OK 60 100 60 100 5.1-7.5 1794/1581=90, ~8846=72...(11) HD3 LYS 66 + HG2 GLU 62 OK 52 60 90 96 4.2-6.6 1.8/12290=47...(12) HD3 LYS 66 + HG3 GLU 62 OK 40 60 70 96 5.2-7.4 ~12290=38, ~12157=29...(12) HG2 LYS 68 - HG2 GLU 62 far 0 37 0 - 8.2-10.5 HG LEU 70 - HG2 GLU 62 far 0 63 0 - 8.4-11.0 HG2 LYS 68 - HG3 GLU 62 far 0 37 0 - 8.4-10.5 HG LEU 70 - HG3 GLU 62 far 0 63 0 - 8.9-11.9 HD3 LYS 68 - HG2 GLU 62 far 0 50 0 - 9.0-12.7 HB3 LEU 6 - HG2 GLU 37 far 0 73 0 - 9.0-9.8 HD2 LYS 68 - HG2 GLU 62 far 0 51 0 - 9.0-11.7 HD2 LYS 68 - HG3 GLU 62 far 0 51 0 - 9.0-12.4 HD2 LYS 39 - HG2 GLU 37 far 0 84 0 - 9.2-11.3 HD3 LYS 68 - HG3 GLU 62 far 0 50 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 8842 from cnoeabs.peaks (1.46, 2.26, 36.95 ppm; 4.80 A): 6 out of 16 assignments used, quality = 0.95: HG2 LYS 66 + HG2 GLU 62 OK 47 52 100 89 2.4-4.8 12155/2.9=28...(13) HG2 LYS 66 + HG3 GLU 62 OK 42 52 90 89 2.9-5.4 12155/2.9=28, ~12290=22...(13) HD3 LYS 40 + HG2 GLU 37 OK 41 100 45 91 4.0-6.5 3.0/11067=39, ~8846=37...(12) HG3 LYS 66 + HG2 GLU 62 OK 40 50 90 90 2.9-5.3 2.9/12290=28, ~12157=26...(12) HD2 LYS 40 + HG2 GLU 37 OK 37 100 40 92 3.4-6.4 3.0/11067=39, ~8846=37...(12) HG3 LYS 66 + HG3 GLU 62 OK 34 50 75 91 3.8-6.3 ~12157=26, ~12155=26...(13) HB2 LEU 38 - HG2 GLU 37 far 0 99 0 - 6.7-7.9 HG LEU 38 - HG2 GLU 37 far 0 100 0 - 8.0-9.3 HB3 LEU 64 - HG2 GLU 62 far 0 54 0 - 8.3-9.5 HB3 LEU 64 - HG3 GLU 62 far 0 54 0 - 8.4-9.6 HG LEU 64 - HG2 GLU 62 far 0 65 0 - 8.5-10.1 HG LEU 64 - HG3 GLU 62 far 0 65 0 - 8.6-10.2 HD2 LYS 82 - HG3 GLU 62 far 0 72 0 - 8.7-10.6 HG3 LYS 39 - HG2 GLU 37 far 0 88 0 - 9.2-11.1 HD2 LYS 82 - HG2 GLU 62 far 0 72 0 - 9.2-10.4 HG LEU 38 - HG2 GLU 62 far 0 72 0 - 9.6-12.0 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 4 assignments used, quality = 1.00: QG2 THR 34 + HG2 GLU 37 OK 100 100 100 100 3.0-5.0 8759=96, 8758/1.8=90...(7) HG2 LYS 40 - HG2 GLU 37 far 0 99 0 - 6.2-7.7 QG2 THR 31 - HG2 GLU 37 far 0 81 0 - 7.6-8.9 QG2 THR 34 - HG2 GLU 62 far 0 71 0 - 9.9-11.8 Violated in 2 structures by 0.00 A. Peak 8844 from cnoeabs.peaks (0.88, 2.26, 36.95 ppm; 4.80 A): 1 out of 7 assignments used, quality = 0.85: QG1 VAL 32 + HG2 GLU 37 OK 85 85 100 100 3.0-4.5 10157=80, 8849/1.8=73...(21) HG13 ILE 8 - HG2 GLU 37 far 0 100 0 - 6.8-11.0 QD2 LEU 64 - HG3 GLU 62 far 0 61 0 - 7.1-8.8 QD2 LEU 64 - HG2 GLU 62 far 0 61 0 - 7.2-8.8 QD1 LEU 38 - HG2 GLU 37 far 0 90 0 - 7.4-8.0 QG1 VAL 32 - HG2 GLU 62 far 0 55 0 - 9.3-11.3 QD1 LEU 38 - HG2 GLU 62 far 0 59 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 8845 from cnoeabs.peaks (0.83, 2.26, 36.95 ppm; 5.56 A increased from 4.94 A): 1 out of 18 assignments used, quality = 1.00: QG2 VAL 32 + HG2 GLU 37 OK 100 100 100 100 4.7-5.3 2.1/10157=95, ~8849=80...(20) QD2 LEU 38 - HG2 GLU 37 far 0 100 0 - 6.0-7.0 QD1 LEU 70 - HG2 GLU 62 far 0 69 0 - 6.8-8.8 QG2 ILE 8 - HG2 GLU 37 far 0 57 0 - 7.0-8.9 QD2 LEU 64 - HG3 GLU 62 far 0 40 0 - 7.1-8.8 QD2 LEU 64 - HG2 GLU 62 far 0 40 0 - 7.2-8.8 QD1 LEU 38 - HG2 GLU 37 far 0 70 0 - 7.4-8.0 QD1 LEU 70 - HG3 GLU 62 far 0 69 0 - 7.6-9.7 QD1 LEU 70 - HG2 GLU 37 far 0 99 0 - 7.6-9.3 QG2 ILE 8 - HG2 GLU 62 far 0 34 0 - 7.6-9.1 QD2 LEU 70 - HG2 GLU 62 far 0 62 0 - 8.2-10.5 QG2 ILE 7 - HG2 GLU 37 far 0 81 0 - 8.4-9.7 QG2 ILE 8 - HG3 GLU 62 far 0 34 0 - 8.5-9.3 QD2 LEU 70 - HG3 GLU 62 far 0 62 0 - 8.6-11.5 QD2 LEU 70 - HG2 GLU 37 far 0 93 0 - 8.9-10.6 QD2 LEU 38 - HG2 GLU 62 far 0 72 0 - 9.4-11.3 QG2 ILE 15 - HG2 GLU 37 far 0 95 0 - 9.5-11.1 QD1 LEU 38 - HG2 GLU 62 far 0 43 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 8846 from cnoeabs.peaks (1.67, 2.11, 36.95 ppm; 5.44 A increased from 4.84 A): 1 out of 4 assignments used, quality = 0.83: HB2 LYS 40 + HG3 GLU 37 OK 83 84 100 99 4.7-5.5 1782/1609=68...(15) HB3 LYS 40 - HG3 GLU 37 far 0 99 0 - 6.0-6.9 HB3 LEU 6 - HG3 GLU 37 far 0 87 0 - 8.6-9.9 HD2 LYS 39 - HG3 GLU 37 far 0 94 0 - 8.7-11.9 Violated in 3 structures by 0.01 A. Peak 8847 from cnoeabs.peaks (1.46, 2.11, 36.95 ppm; 6.50 A increased from 5.20 A): 2 out of 5 assignments used, quality = 1.00: HD2 LYS 40 + HG3 GLU 37 OK 99 100 100 99 3.7-6.7 3.5/8846=84, ~11067=60...(14) HD3 LYS 40 + HG3 GLU 37 OK 75 100 75 99 4.6-7.1 3.5/8846=84, ~11067=60...(13) HB2 LEU 38 - HG3 GLU 37 poor 20 99 20 - 6.6-7.3 HG LEU 38 - HG3 GLU 37 far 0 100 0 - 8.2-8.9 HG3 LYS 39 - HG3 GLU 37 far 0 88 0 - 8.9-11.4 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 3 assignments used, quality = 0.99: QG2 THR 34 + HG3 GLU 37 OK 99 99 100 100 3.1-4.2 8758=98, 8843/1.8=87...(11) HG2 LYS 40 - HG3 GLU 37 far 0 100 0 - 6.4-8.0 QG2 THR 31 - HG3 GLU 37 far 0 88 0 - 7.3-9.2 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 3.5-4.2 10157/1.8=70...(22) HG13 ILE 8 - HG3 GLU 37 far 0 96 0 - 7.2-10.5 Violated in 0 structures by 0.00 A. Peak 8850 from cnoeabs.peaks (0.81, 2.11, 36.95 ppm; 5.55 A increased from 4.93 A): 1 out of 7 assignments used, quality = 0.92: QG2 VAL 32 + HG3 GLU 37 OK 92 92 100 100 4.3-5.4 2.1/8849=98, 3.2/8827=77...(22) QD2 LEU 38 - HG3 GLU 37 far 0 99 0 - 6.2-6.9 QG2 ILE 8 - HG3 GLU 37 far 0 85 0 - 6.7-8.5 QD1 LEU 70 - HG3 GLU 37 far 0 100 0 - 7.3-9.1 QG2 ILE 7 - HG3 GLU 37 far 0 98 0 - 8.1-9.8 QD2 LEU 70 - HG3 GLU 37 far 0 100 0 - 8.2-10.4 QG2 ILE 15 - HG3 GLU 37 far 0 100 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 8855 from cnoeabs.peaks (0.73, 3.87, 58.30 ppm; 4.90 A increased from 4.12 A): 1 out of 10 assignments used, quality = 0.87: QD1 ILE 8 + HA LEU 38 OK 87 92 100 95 4.6-5.0 12202/3.0=50...(8) QD1 ILE 56 - HA LEU 38 poor 18 90 20 - 5.0-5.6 QD2 LEU 42 - HA LEU 38 far 0 63 0 - 5.2-5.6 HG13 ILE 56 - HA LEU 38 far 0 96 0 - 5.6-6.2 QG1 VAL 54 - HA LEU 38 far 0 73 0 - 5.6-6.3 QG1 VAL 58 - HA LEU 38 far 0 99 0 - 7.1-7.6 QG1 VAL 78 - HA LEU 38 far 0 96 0 - 7.2-7.7 QG2 VAL 78 - HA LEU 38 far 0 99 0 - 7.7-8.2 QG1 VAL 5 - HA LEU 38 far 0 100 0 - 8.8-9.3 QD1 ILE 52 - HA LEU 38 far 0 68 0 - 9.8-10.7 Violated in 2 structures by 0.00 A. Peak 8856 from cnoeabs.peaks (0.70, 1.46, 40.84 ppm; 4.41 A): 2 out of 10 assignments used, quality = 0.98: QD1 ILE 8 + HB2 LEU 38 OK 88 100 90 98 3.3-4.8 8857/1.8=71...(10) QD1 LEU 42 + HB2 LEU 38 OK 85 96 90 99 3.7-5.0 2.1/10551=51...(16) QD1 ILE 56 - HB2 LEU 38 far 0 100 0 - 4.8-5.5 QD2 LEU 6 - HB2 LEU 38 far 0 94 0 - 5.4-6.1 QG1 VAL 58 - HB2 LEU 38 far 0 96 0 - 6.1-7.3 HG13 ILE 56 - HB2 LEU 38 far 0 99 0 - 6.4-7.0 QG2 VAL 78 - HB2 LEU 38 far 0 95 0 - 7.4-8.4 QG2 VAL 58 - HB2 LEU 38 far 0 79 0 - 8.5-9.6 QD1 LEU 64 - HB2 LEU 38 far 0 63 0 - 9.3-10.4 QG1 VAL 5 - HB2 LEU 38 far 0 90 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 8857 from cnoeabs.peaks (0.70, 2.07, 40.84 ppm; 4.68 A): 1 out of 10 assignments used, quality = 0.99: QD1 ILE 8 + HB3 LEU 38 OK 99 100 100 100 3.2-4.6 12202=69, 12201/3.0=57...(12) QD1 LEU 42 - HB3 LEU 38 far 10 96 10 - 3.7-5.3 QD1 ILE 56 - HB3 LEU 38 far 5 100 5 - 4.9-5.7 QD2 LEU 6 - HB3 LEU 38 far 0 94 0 - 5.1-6.1 QG1 VAL 58 - HB3 LEU 38 far 0 96 0 - 6.0-6.9 HG13 ILE 56 - HB3 LEU 38 far 0 99 0 - 6.3-7.0 QG2 VAL 78 - HB3 LEU 38 far 0 95 0 - 7.4-8.6 QG2 VAL 58 - HB3 LEU 38 far 0 79 0 - 8.3-9.2 QD1 LEU 64 - HB3 LEU 38 far 0 63 0 - 9.3-10.2 QG1 VAL 5 - HB3 LEU 38 far 0 90 0 - 9.7-10.5 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 2.1-2.6 14602=73, 2.5/1890=61...(21) QE TYR 41 + HA LEU 38 OK 79 81 100 98 3.8-4.2 2.2/14602=58...(16) Violated in 0 structures by 0.00 A. Peak 8864 from cnoeabs.peaks (6.83, 1.68, 31.76 ppm; 5.96 A increased from 5.61 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 41 + HB3 LYS 40 OK 100 100 100 100 5.3-5.8 6657/1805=88...(19) QE TYR 41 + HB3 LYS 40 OK 84 88 95 100 5.6-6.3 6.6/1805=53, ~8865=44...(19) Violated in 0 structures by 0.00 A. Peak 8865 from cnoeabs.peaks (6.83, 1.16, 24.65 ppm; 5.19 A increased from 4.89 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 41 + HG2 LYS 40 OK 100 100 100 100 3.1-5.1 6657/6648=69...(22) QE TYR 41 + HG2 LYS 40 OK 40 81 50 99 3.8-5.7 5.7/10585=43...(19) Violated in 0 structures by 0.00 A. Peak 8866 from cnoeabs.peaks (6.84, 1.47, 28.90 ppm; 5.35 A): 4 out of 6 assignments used, quality = 1.00: QE TYR 41 + HD3 LYS 40 OK 97 98 100 99 2.5-4.3 ~8865=36, 8867/3.0=34...(22) QD TYR 41 + HD3 LYS 40 OK 96 97 100 99 3.6-4.8 8865/3.0=47...(23) QE TYR 41 + HD2 LYS 40 OK 87 98 90 99 4.2-5.7 ~8865=36, 8867/3.0=34...(22) QD TYR 41 + HD2 LYS 40 OK 67 97 70 99 4.8-6.0 8865/3.0=47...(23) HD1 TRP 92 - HB2 ARG 91 far 0 29 0 - 5.8-6.3 HD21 ASN 60 - HD2 LYS 82 far 0 75 0 - 7.6-8.3 Violated in 0 structures by 0.00 A. Peak 8867 from cnoeabs.peaks (6.84, 2.77, 41.80 ppm; 4.62 A): 3 out of 4 assignments used, quality = 0.64: QE TYR 41 + HE2 LYS 40 OK 36 98 45 81 3.0-6.6 8908/4.0=20, 8900/1.8=18...(12) QD TYR 41 + HE3 LYS 40 OK 26 97 30 89 3.7-6.8 8865/4.0=31, 8959/4.0=18...(14) QE TYR 41 + HE3 LYS 40 OK 24 98 30 81 3.0-6.5 8908/4.0=20, 8900/1.8=18...(12) QD TYR 41 - HE2 LYS 40 poor 19 97 20 - 3.7-6.8 Violated in 9 structures by 0.30 A. Peak 8871 from cnoeabs.peaks (0.78, 3.93, 59.76 ppm; 4.97 A increased from 4.68 A): 1 out of 9 assignments used, quality = 1.00: QD1 LEU 6 + HA TYR 41 OK 100 100 100 100 4.4-4.7 8876/3.0=80, 8873/3.0=80...(15) QD2 LEU 42 - HA TYR 41 far 0 99 0 - 5.8-6.0 QG1 VAL 54 - HA TYR 41 far 0 96 0 - 6.2-6.7 QD1 ILE 76 - HA TYR 41 far 0 88 0 - 6.9-7.3 QG1 VAL 78 - HA TYR 41 far 0 73 0 - 8.2-8.5 QD1 LEU 70 - HA TYR 41 far 0 61 0 - 8.7-9.7 QG2 ILE 52 - HA TYR 41 far 0 100 0 - 8.8-9.3 QD2 LEU 70 - HA TYR 41 far 0 77 0 - 9.3-10.1 QG2 ILE 7 - HA TYR 41 far 0 91 0 - 10.0-10.4 Violated in 0 structures by 0.00 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 4.4-4.7 8874/3.0=80, 2.1/8871=78...(14) QD1 LEU 42 - HA TYR 41 far 0 100 0 - 6.3-6.5 QG2 VAL 54 - HA TYR 41 far 0 75 0 - 6.4-6.8 QD1 ILE 52 - HA TYR 41 far 0 99 0 - 7.2-7.5 QD1 ILE 56 - HA TYR 41 far 0 90 0 - 8.2-8.6 HG13 ILE 56 - HA TYR 41 far 0 79 0 - 9.0-9.5 QD1 ILE 8 - HA TYR 41 far 0 87 0 - 9.2-9.7 QG2 VAL 78 - HA TYR 41 far 0 65 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 8873 from cnoeabs.peaks (0.79, 2.31, 36.90 ppm; 4.03 A): 1 out of 11 assignments used, quality = 0.95: QD1 LEU 6 + HB2 TYR 41 OK 95 95 100 100 2.3-2.9 8228=81, 8876/1.8=71...(20) QG1 VAL 54 - HB2 TYR 41 far 0 84 0 - 4.5-5.0 QD2 LEU 38 - HB2 TYR 41 far 0 68 0 - 4.8-5.4 QD2 LEU 42 - HB2 TYR 41 far 0 91 0 - 5.0-5.4 QD1 ILE 76 - HB2 TYR 41 far 0 98 0 - 6.8-7.2 QG2 ILE 52 - HB2 TYR 41 far 0 99 0 - 8.2-8.9 QG2 ILE 7 - HB2 TYR 41 far 0 99 0 - 8.3-8.6 QD1 LEU 70 - HB2 TYR 41 far 0 81 0 - 8.3-9.4 QG2 ILE 8 - HB2 TYR 41 far 0 100 0 - 9.4-10.4 QD2 LEU 70 - HB2 TYR 41 far 0 92 0 - 9.5-10.2 QD2 LEU 57 - HB2 TYR 41 far 0 99 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 8874 from cnoeabs.peaks (0.69, 2.31, 36.90 ppm; 4.22 A): 1 out of 11 assignments used, quality = 1.00: QD2 LEU 6 + HB2 TYR 41 OK 100 100 100 100 2.4-2.8 2.1/8873=77, 8230=75...(18) QG2 VAL 54 - HB2 TYR 41 far 0 65 0 - 5.1-5.6 QD1 LEU 42 - HB2 TYR 41 far 0 100 0 - 5.8-6.3 QD1 ILE 52 - HB2 TYR 41 far 0 100 0 - 6.6-7.2 QD1 ILE 56 - HB2 TYR 41 far 0 95 0 - 6.8-7.3 HG13 ILE 56 - HB2 TYR 41 far 0 87 0 - 6.9-7.5 QD1 ILE 8 - HB2 TYR 41 far 0 93 0 - 7.7-8.3 QG1 VAL 5 - HB2 TYR 41 far 0 65 0 - 8.0-8.7 QG2 VAL 78 - HB2 TYR 41 far 0 75 0 - 8.5-9.1 QD1 LEU 29 - HB2 TYR 41 far 0 63 0 - 9.0-9.4 QG1 VAL 58 - HB2 TYR 41 far 0 77 0 - 9.9-10.5 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 6 assignments used, quality = 1.00: QD1 LEU 38 + HB3 TYR 41 OK 100 100 100 100 3.6-4.0 10548=91, 12065/2.5=66...(13) QG2 VAL 32 + HB3 TYR 41 OK 89 90 100 99 3.4-3.8 10162/1890=53, 10161=50...(11) QD2 LEU 38 + HB3 TYR 41 OK 74 75 100 99 3.7-4.2 2.1/10548=72...(11) QD1 LEU 70 - HB3 TYR 41 far 0 61 0 - 6.9-8.0 QG2 ILE 76 - HB3 TYR 41 far 0 77 0 - 7.3-7.7 HG13 ILE 8 - HB3 TYR 41 far 0 70 0 - 8.1-8.9 Violated in 0 structures by 0.00 A. Peak 8876 from cnoeabs.peaks (0.78, 2.64, 36.90 ppm; 4.12 A): 1 out of 11 assignments used, quality = 1.00: QD1 LEU 6 + HB3 TYR 41 OK 100 100 100 100 2.0-2.3 8227=79, 8873/1.8=76...(20) QD2 LEU 42 - HB3 TYR 41 far 0 99 0 - 4.4-4.7 QG1 VAL 54 - HB3 TYR 41 far 0 96 0 - 4.6-5.1 QD1 ILE 76 - HB3 TYR 41 far 0 88 0 - 6.4-6.7 QG1 VAL 78 - HB3 TYR 41 far 0 73 0 - 6.7-7.0 QD1 LEU 70 - HB3 TYR 41 far 0 61 0 - 6.9-8.0 QD2 LEU 70 - HB3 TYR 41 far 0 77 0 - 8.1-8.9 QG2 ILE 7 - HB3 TYR 41 far 0 91 0 - 8.4-8.6 QG2 ILE 8 - HB3 TYR 41 far 0 99 0 - 8.5-9.4 QG2 ILE 52 - HB3 TYR 41 far 0 100 0 - 8.7-9.3 QD2 LEU 57 - HB3 TYR 41 far 0 94 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 8877 from cnoeabs.peaks (0.69, 2.64, 36.90 ppm; 4.42 A): 1 out of 11 assignments used, quality = 1.00: QD2 LEU 6 + HB3 TYR 41 OK 100 100 100 100 2.7-2.9 8874/1.8=82, 2.1/8876=80...(19) QD1 LEU 42 - HB3 TYR 41 far 0 100 0 - 4.8-5.1 QG2 VAL 54 - HB3 TYR 41 far 0 65 0 - 5.4-6.0 QD1 ILE 56 - HB3 TYR 41 far 0 95 0 - 5.9-6.4 HG13 ILE 56 - HB3 TYR 41 far 0 87 0 - 6.2-6.6 QD1 ILE 8 - HB3 TYR 41 far 0 93 0 - 6.8-7.2 QD1 ILE 52 - HB3 TYR 41 far 0 100 0 - 7.4-8.1 QG2 VAL 78 - HB3 TYR 41 far 0 75 0 - 7.8-8.4 QG1 VAL 5 - HB3 TYR 41 far 0 65 0 - 8.3-8.9 QG1 VAL 58 - HB3 TYR 41 far 0 77 0 - 9.1-9.5 QD1 LEU 29 - HB3 TYR 41 far 0 63 0 - 9.6-9.9 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 10 assignments used, quality = 1.00: QD2 LEU 38 + QD TYR 41 OK 99 99 100 100 2.9-3.3 2.1/12065=75...(23) QG2 VAL 32 + QD TYR 41 OK 94 94 100 100 1.9-2.0 8910/2.2=87...(29) QD1 LEU 70 - QD TYR 41 far 0 100 0 - 6.5-7.6 QG2 ILE 8 - QD TYR 41 far 0 82 0 - 6.7-7.7 QG2 ILE 7 - QD TYR 41 far 0 96 0 - 6.8-7.1 QD1 ILE 76 - QD TYR 41 far 0 97 0 - 7.4-7.6 QD2 LEU 70 - QD TYR 41 far 0 100 0 - 7.9-8.7 QD2 LEU 57 - QD TYR 41 far 0 94 0 - 8.8-9.8 QG2 ILE 15 - QD TYR 41 far 0 100 0 - 8.8-9.2 QG2 ILE 52 - QD TYR 41 far 0 67 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 8879 from cnoeabs.peaks (0.69, 6.83, 131.89 ppm; 5.74 A): 3 out of 11 assignments used, quality = 1.00: QD2 LEU 6 + QD TYR 41 OK 100 100 100 100 2.0-2.6 2.1/8210=99, 8874/2.5=97...(30) QD1 LEU 42 + QD TYR 41 OK 99 100 100 99 5.6-5.9 6676/4.6=82, ~10595=49...(11) QD1 ILE 8 + QD TYR 41 OK 76 93 100 82 5.5-6.0 8942/14619=26...(11) QD1 ILE 56 - QD TYR 41 far 0 94 0 - 6.2-6.6 HG13 ILE 56 - QD TYR 41 far 0 86 0 - 6.3-7.0 QG2 VAL 54 - QD TYR 41 far 0 65 0 - 6.3-6.8 QD1 ILE 52 - QD TYR 41 far 0 100 0 - 7.4-8.1 QG1 VAL 5 - QD TYR 41 far 0 65 0 - 7.7-8.2 QG1 VAL 58 - QD TYR 41 far 0 77 0 - 8.0-8.5 QG2 VAL 78 - QD TYR 41 far 0 75 0 - 8.3-8.9 QD1 LEU 29 - QD TYR 41 far 0 63 0 - 8.4-8.7 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 4.8-5.2 8989/1880=77...(10) 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 4.2-4.5 8887/3.0=87, 2.2/8885=86...(12) 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 2.2-3.0 2.2/8890=74...(14) 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 2.8-4.0 8887/1.8=92...(14) 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 = 0.99: HZ PHE 45 + HB3 TYR 41 OK 99 99 100 100 3.8-5.0 8890/1.8=91, 2.2/8888=78...(12) 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 2.4-3.4 2.2/8887=78...(12) Violated in 0 structures by 0.00 A. Peak 8891 from cnoeabs.peaks (7.63, 2.31, 36.90 ppm; 5.52 A): 1 out of 2 assignments used, quality = 0.61: H GLU 44 + HB2 TYR 41 OK 61 70 100 88 5.3-5.6 8984/2.5=42, 6702/4.1=41...(5) H LYS 40 - HB2 TYR 41 far 0 100 0 - 6.1-6.3 Violated in 1 structures by 0.00 A. Peak 8892 from cnoeabs.peaks (7.63, 2.64, 36.90 ppm; 5.93 A): 2 out of 2 assignments used, quality = 1.00: H LYS 40 + HB3 TYR 41 OK 100 100 100 100 4.7-5.0 6644/6656=99...(6) H GLU 44 + HB3 TYR 41 OK 78 79 100 99 5.7-6.0 8891/1.8=90...(7) 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 2 assignments used, quality = 0.98: H TYR 41 + QD TYR 41 OK 98 98 100 100 2.9-3.2 4.6=100 H SER 9 - QD TYR 41 far 0 88 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 8894 from cnoeabs.peaks (7.80, 6.85, 118.20 ppm; 5.54 A): 2 out of 3 assignments used, quality = 1.00: HE ARG 30 + QE TYR 41 OK 97 97 100 100 2.6-5.4 2.9/8897=59, 5.0/8906=51...(13) H TYR 41 + QE TYR 41 OK 92 92 100 100 4.3-4.6 6657/2.2=88, ~1876=74...(22) H SER 9 - QE TYR 41 far 0 99 0 - 8.3-8.5 Violated in 0 structures by 0.00 A. Peak 8895 from cnoeabs.peaks (3.91, 6.85, 118.20 ppm; 4.64 A): 2 out of 5 assignments used, quality = 0.97: HA TYR 41 + QE TYR 41 OK 92 93 100 99 4.4-4.5 1876/2.2=87, 5.7=55...(8) HA LEU 38 + QE TYR 41 OK 67 69 100 96 3.8-4.2 10162/8910=33...(16) HA GLU 35 - QE TYR 41 far 0 91 0 - 7.3-7.7 HA GLU 44 - QE TYR 41 far 0 79 0 - 9.1-9.5 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 2.3-2.4 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 2.7-4.8 3.6/8906=79...(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 = 1.00: HD2 ARG 30 + QE TYR 41 OK 95 95 100 100 2.4-5.1 3.6/8906=52, 1.8/8897=49...(16) HB3 TYR 41 + QE TYR 41 OK 93 93 100 100 4.4-4.4 4.4=100 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 4.5-4.5 4.4=100 HG2 GLU 37 + QE TYR 41 OK 63 63 100 100 3.7-4.5 1.8/8815=89, 8813=49...(20) HG3 GLU 43 - QE TYR 41 far 0 82 0 - 7.8-10.4 HB2 TYR 4 - QE TYR 41 far 0 100 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 8900 from cnoeabs.peaks (2.78, 6.85, 118.20 ppm; 6.50 A increased from 6.11 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 40 + QE TYR 41 OK 96 98 100 98 3.0-6.5 1.8/8867=41, 4.0/8908=39...(13) HE2 LYS 40 + QE TYR 41 OK 96 98 100 98 3.0-6.6 8867=40, 4.0/8908=39...(13) 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 3.8-4.2 14602/2.2=95...(15) HA LYS 40 - QE TYR 41 far 0 94 0 - 6.5-7.0 HA ALA 67 - QE TYR 41 far 0 100 0 - 9.3-10.1 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 4.6-4.9 1880/1876=88...(5) HB3 GLU 44 + QD TYR 41 OK 88 94 100 94 5.2-5.9 3.9/8984=75, 1.8/8988=66...(5) HB2 GLU 37 + QD TYR 41 OK 57 57 100 100 3.9-4.8 ~8813=78, ~8815=72...(20) QE MET 74 + QD TYR 41 OK 51 95 55 97 6.6-7.0 10590/4.6=87...(6) HB2 GLU 35 - QD TYR 41 far 0 99 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 8904 from cnoeabs.peaks (2.10, 6.85, 118.20 ppm; 4.97 A): 2 out of 5 assignments used, quality = 1.00: HG3 GLU 37 + QE TYR 41 OK 100 100 100 100 3.4-5.0 8815=98, 1.8/8813=83...(18) HB3 GLU 37 + QE TYR 41 OK 91 91 100 100 2.0-2.4 3.0/8813=69, 3.0/8815=66...(21) HB3 LEU 38 - QE TYR 41 far 4 73 5 - 5.2-6.7 HG2 GLU 44 - QE TYR 41 far 0 77 0 - 7.5-8.7 HB3 GLU 35 - QE TYR 41 far 0 87 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 8905 from cnoeabs.peaks (1.97, 6.85, 118.20 ppm; 4.89 A): 2 out of 6 assignments used, quality = 1.00: HB2 GLU 37 + QE TYR 41 OK 100 100 100 100 2.7-3.7 3.0/8813=67, 3.0/8815=64...(17) HB VAL 32 + QE TYR 41 OK 75 75 100 100 4.2-4.5 2.1/8910=94, 2.1/8909=77...(16) HB2 GLU 44 - QE TYR 41 far 0 79 0 - 6.6-7.0 HB3 GLU 44 - QE TYR 41 far 0 79 0 - 7.1-7.6 QE MET 74 - QE TYR 41 far 0 77 0 - 8.1-8.5 HB2 GLU 35 - QE TYR 41 far 0 65 0 - 9.5-9.7 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 3.1-3.9 8717/8911=67...(16) HB3 LEU 29 - QE TYR 41 far 0 100 0 - 9.0-9.8 HG2 ARG 19 - QE TYR 41 far 0 97 0 - 9.3-11.1 HB3 GLU 28 - QE TYR 41 far 0 67 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 8907 from cnoeabs.peaks (1.50, 6.85, 118.20 ppm; 5.54 A): 4 out of 7 assignments used, quality = 0.99: HG3 ARG 30 + QE TYR 41 OK 80 80 100 100 2.6-5.6 2.9/8906=71, 3.0/8897=59...(20) HG3 LYS 33 + QE TYR 41 OK 71 100 80 88 5.6-5.9 10145/8896=63...(3) HD3 LYS 40 + QE TYR 41 OK 63 63 100 99 2.5-4.3 ~8865=38, 3.0/8867=35...(23) HD2 LYS 40 + QE TYR 41 OK 61 61 100 99 4.2-5.7 ~8865=38, 3.0/8867=35...(23) HG LEU 6 - QE TYR 41 far 0 88 0 - 6.0-6.3 HB ILE 7 - QE TYR 41 far 0 92 0 - 8.7-9.0 HG12 ILE 56 - QE TYR 41 far 0 79 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 8908 from cnoeabs.peaks (1.35, 6.85, 118.20 ppm; 5.84 A): 2 out of 6 assignments used, quality = 1.00: HG3 LYS 40 + QE TYR 41 OK 99 99 100 100 3.3-4.2 10586/5.7=53, ~8865=51...(20) HB3 ARG 30 + QE TYR 41 OK 89 89 100 100 4.2-5.2 1.8/8906=89, 3.6/8897=60...(16) HG12 ILE 8 - QE TYR 41 far 15 97 15 - 5.9-7.0 QB ALA 67 - QE TYR 41 far 0 98 0 - 8.1-8.7 HG2 LYS 39 - QE TYR 41 far 0 100 0 - 9.3-10.0 HB2 LEU 70 - QE TYR 41 far 0 92 0 - 9.8-10.8 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 3 assignments used, quality = 1.00: QG1 VAL 32 + QE TYR 41 OK 100 100 100 100 3.1-3.3 2.1/8910=93...(27) HG13 ILE 8 - QE TYR 41 far 0 94 0 - 6.0-7.6 HG13 ILE 7 - QE TYR 41 far 0 98 0 - 9.4-10.5 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 1.9-2.2 2.1/8909=48, 10152=43...(25) QD2 LEU 38 - QE TYR 41 far 0 100 0 - 4.2-4.5 QD1 LEU 38 - QE TYR 41 far 0 73 0 - 5.6-5.9 QG2 ILE 7 - QE TYR 41 far 0 77 0 - 6.2-6.5 QD1 LEU 70 - QE TYR 41 far 0 97 0 - 7.4-8.5 QG2 ILE 15 - QE TYR 41 far 0 93 0 - 7.7-8.2 QD2 LEU 70 - QE TYR 41 far 0 91 0 - 8.7-9.8 QD1 ILE 76 - QE TYR 41 far 0 80 0 - 9.2-9.4 QD2 LEU 57 - QE TYR 41 far 0 71 0 - 9.4-10.6 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 9 assignments used, quality = 0.97: QD2 LEU 6 + QE TYR 41 OK 97 97 100 100 3.1-3.4 14618/2.2=76, ~8210=60...(25) QD1 ILE 8 - QE TYR 41 far 0 99 0 - 5.7-6.4 QD1 LEU 42 - QE TYR 41 far 0 98 0 - 7.3-7.5 QD1 ILE 56 - QE TYR 41 far 0 100 0 - 7.7-8.1 HG13 ILE 56 - QE TYR 41 far 0 97 0 - 7.9-8.5 QG1 VAL 5 - QE TYR 41 far 0 84 0 - 8.2-8.7 QG1 VAL 58 - QE TYR 41 far 0 92 0 - 8.3-8.9 QD1 ILE 52 - QE TYR 41 far 0 100 0 - 9.0-9.7 QG2 VAL 78 - QE TYR 41 far 0 91 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 8915 from cnoeabs.peaks (1.44, 1.81, 40.51 ppm; 5.03 A): 2 out of 7 assignments used, quality = 1.00: HG3 LYS 39 + HB2 LEU 42 OK 99 100 100 100 3.7-5.0 9602/8916=71...(8) QB ALA 71 + HB2 LEU 42 OK 68 85 80 100 4.9-5.4 12014/3.1=83, ~8924=53...(16) HB2 LEU 38 - HB2 LEU 42 far 0 92 0 - 5.8-7.2 HG13 ILE 76 - HB2 LEU 42 far 0 100 0 - 6.1-6.4 HG LEU 38 - HB2 LEU 42 far 0 87 0 - 6.8-7.3 HD2 LYS 40 - HB2 LEU 42 far 0 79 0 - 8.6-9.1 HD3 LYS 40 - HB2 LEU 42 far 0 77 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 8916 from cnoeabs.peaks (2.00, 1.81, 40.51 ppm; 4.43 A): 1 out of 7 assignments used, quality = 1.00: QE MET 74 + HB2 LEU 42 OK 100 100 100 100 1.9-2.2 9601=75, 9605/3.1=74...(26) HB3 MET 74 - HB2 LEU 42 far 0 57 0 - 4.9-5.5 HB2 ARG 46 - HB2 LEU 42 far 0 81 0 - 5.1-7.5 HB2 GLU 44 - HB2 LEU 42 far 0 100 0 - 6.8-7.2 HB3 GLU 44 - HB2 LEU 42 far 0 100 0 - 7.7-8.2 HB2 GLU 37 - HB2 LEU 42 far 0 85 0 - 8.9-9.2 HB2 GLU 35 - HB2 LEU 42 far 0 100 0 - 10.0-10.7 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 = 0.99: HB3 TYR 41 + HB2 LEU 42 OK 93 93 100 100 4.9-5.0 4.1/6673=95...(9) HG3 MET 74 + HB2 LEU 42 OK 90 100 90 100 3.9-6.4 3.4/8916=91, ~9615=73...(17) Violated in 0 structures by 0.00 A. Peak 8918 from cnoeabs.peaks (1.43, 1.30, 40.51 ppm; 5.10 A): 2 out of 6 assignments used, quality = 1.00: HG13 ILE 76 + HB3 LEU 42 OK 100 100 100 100 4.5-4.7 10285=94, 2.1/10286=88...(23) QB ALA 71 + HB3 LEU 42 OK 92 92 100 100 4.2-4.8 12014/3.1=89, ~8924=55...(17) HG3 LYS 39 - HB3 LEU 42 far 10 99 10 - 4.9-6.4 HB2 LEU 38 - HB3 LEU 42 far 0 85 0 - 7.1-8.5 HG LEU 38 - HB3 LEU 42 far 0 79 0 - 7.7-8.1 HG13 ILE 52 - HB3 LEU 42 far 0 82 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 8919 from cnoeabs.peaks (2.63, 1.30, 40.51 ppm; 5.92 A increased from 5.57 A): 2 out of 3 assignments used, quality = 1.00: HB3 TYR 41 + HB3 LEU 42 OK 100 100 100 100 5.9-5.9 6669/6674=94...(7) HG3 MET 74 + HB3 LEU 42 OK 99 99 100 100 3.5-6.0 ~9615=71, ~8916=69...(18) HB3 ASP 77 - HB3 LEU 42 far 0 100 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 8920 from cnoeabs.peaks (1.47, 1.90, 26.36 ppm; 5.18 A increased from 4.88 A): 2 out of 8 assignments used, quality = 0.98: HB2 LEU 38 + HG LEU 42 OK 89 99 90 100 4.8-6.0 3.1/12068=88, 10551=86...(11) HG LEU 38 + HG LEU 42 OK 80 100 80 100 5.1-5.6 2.1/12068=98...(9) HG3 LYS 39 - HG LEU 42 far 0 85 0 - 5.7-6.9 HG13 ILE 76 - HG LEU 42 far 0 77 0 - 6.9-7.2 HD2 LYS 40 - HG LEU 42 far 0 100 0 - 9.0-10.0 HD3 LYS 40 - HG LEU 42 far 0 100 0 - 9.0-10.0 HG2 LYS 73 - HG LEU 42 far 0 84 0 - 9.3-10.6 HG2 LYS 47 - HG LEU 42 far 0 85 0 - 9.8-11.5 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 = 1.00: QD1 LEU 38 + HG LEU 42 OK 100 100 100 100 2.2-2.6 12068=99, 8912/6675=40...(14) QD2 LEU 38 + HG LEU 42 OK 51 75 70 97 4.1-4.5 2.1/12068=77...(11) QG2 ILE 76 - HG LEU 42 far 0 77 0 - 5.0-5.4 QD1 LEU 70 - HG LEU 42 far 0 61 0 - 5.2-6.3 QG2 VAL 32 - HG LEU 42 far 0 90 0 - 5.3-5.5 HG13 ILE 8 - HG LEU 42 far 0 70 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 8922 from cnoeabs.peaks (0.87, 1.81, 40.51 ppm; 5.26 A): 2 out of 4 assignments used, quality = 1.00: QD1 LEU 38 + HB2 LEU 42 OK 99 99 100 100 3.8-4.2 12068/3.0=90...(14) QG2 ILE 76 + HB2 LEU 42 OK 87 97 90 100 5.3-5.6 10883/1.8=87, ~10286=62...(22) QG2 VAL 32 - HB2 LEU 42 far 0 61 0 - 6.7-6.9 QG1 VAL 32 - HB2 LEU 42 far 0 61 0 - 7.4-7.7 Violated in 0 structures by 0.00 A. Peak 8923 from cnoeabs.peaks (2.98, 0.77, 21.93 ppm; 4.91 A): 2 out of 6 assignments used, quality = 1.00: HB2 PHE 45 + QD2 LEU 42 OK 99 99 100 99 2.9-3.3 2.5/10600=93...(12) HB3 PHE 45 + QD2 LEU 42 OK 98 99 100 99 3.9-4.3 2.5/10600=93...(11) HE3 LYS 73 - QD2 LEU 42 far 0 79 0 - 7.7-11.4 HE2 LYS 73 - QD2 LEU 42 far 0 87 0 - 8.5-11.5 HE2 LYS 47 - QD2 LEU 42 far 0 100 0 - 8.6-11.5 HE3 LYS 47 - QD2 LEU 42 far 0 100 0 - 9.2-11.3 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 = 0.98: HA ALA 71 + QD2 LEU 42 OK 98 100 100 99 2.7-3.3 10597/2.1=59, ~12014=52...(18) HA LEU 38 - QD2 LEU 42 far 0 91 0 - 5.2-5.6 HA GLU 43 - QD2 LEU 42 far 0 77 0 - 5.5-5.7 HA ALA 67 - QD2 LEU 42 far 0 100 0 - 5.6-6.1 HB3 SER 49 - QD2 LEU 42 far 0 100 0 - 6.8-8.2 HA LYS 40 - QD2 LEU 42 far 0 98 0 - 7.0-7.2 HA GLU 35 - QD2 LEU 42 far 0 70 0 - 8.2-8.7 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 3.4-4.4 2.2/8928=100...(11) 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): 1 out of 3 assignments used, quality = 0.93: HA LEU 42 + QD1 LEU 38 OK 93 94 100 99 4.5-5.0 4.3/12068=81...(6) HA GLU 37 - QD1 LEU 38 far 0 97 0 - 6.3-6.4 HA LEU 64 - QD1 LEU 38 far 0 81 0 - 6.5-7.3 Violated in 0 structures by 0.00 A. Peak 8934 from cnoeabs.peaks (3.86, 0.91, 23.40 ppm; 3.43 A): 2 out of 5 assignments used, quality = 0.98: HA LEU 38 + QG1 VAL 32 OK 97 98 100 99 2.5-2.8 2.9/8932=56...(17) HA GLU 35 + QG1 VAL 32 OK 42 85 65 75 3.5-3.8 10168=31, 12057/8932=30...(8) HA ALA 67 - QG1 VAL 32 far 0 99 0 - 5.6-6.3 HA LYS 40 - QG1 VAL 32 far 0 100 0 - 7.5-7.7 HA ALA 71 - QG1 VAL 32 far 0 96 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 8935 from cnoeabs.peaks (3.70, 0.91, 23.40 ppm; 5.10 A): 1 out of 2 assignments used, quality = 1.00: HA GLU 37 + QG1 VAL 32 OK 100 100 100 100 4.2-4.5 3.0/8836=88, 3.6/8932=87...(19) HA LEU 42 - QG1 VAL 32 far 0 100 0 - 8.2-8.4 Violated in 0 structures by 0.00 A. Peak 8936 from cnoeabs.peaks (7.72, 0.91, 23.40 ppm; 4.73 A): 1 out of 3 assignments used, quality = 0.93: H GLU 37 + QG1 VAL 32 OK 93 93 100 100 3.5-3.7 8831=90, 6579/8932=79...(15) H LEU 64 - QG1 VAL 32 far 0 100 0 - 8.4-9.1 H ASN 60 - QG1 VAL 32 far 0 99 0 - 8.8-9.3 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 2.0-2.3 8932=98, 6581/8836=43...(22) Violated in 0 structures by 0.00 A. Peak 8938 from cnoeabs.peaks (7.24, 0.91, 23.40 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: H THR 34 + QG1 VAL 32 OK 100 100 100 100 2.0-2.4 8749=100, 6530/6517=56...(16) 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 3.4-3.7 14619=50, 2.2/8909=49...(31) QE TYR 41 + QG1 VAL 32 OK 77 77 100 100 3.1-3.3 8910/2.1=53...(27) Violated in 0 structures by 0.00 A. Peak 8942 from cnoeabs.peaks (0.67, 0.91, 23.40 ppm; 3.83 A): 2 out of 10 assignments used, quality = 0.91: QD2 LEU 6 + QG1 VAL 32 OK 77 96 85 95 4.0-4.2 3.1/8946=39, ~10159=38...(15) QD1 ILE 8 + QG1 VAL 32 OK 59 59 100 99 2.3-2.8 2.1/10336=66, ~12204=42...(20) QD1 ILE 56 - QG1 VAL 32 far 0 63 0 - 5.5-5.9 QD1 LEU 42 - QG1 VAL 32 far 0 94 0 - 5.7-5.9 QG2 VAL 58 - QG1 VAL 32 far 0 100 0 - 7.1-7.6 QD2 LEU 29 - QG1 VAL 32 far 0 81 0 - 7.5-8.2 QD2 LEU 14 - QG1 VAL 32 far 0 61 0 - 7.7-8.2 QG2 VAL 54 - QG1 VAL 32 far 0 96 0 - 8.2-8.6 QD1 LEU 29 - QG1 VAL 32 far 0 95 0 - 8.6-8.9 QD1 LEU 14 - QG1 VAL 32 far 0 100 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 8943 from cnoeabs.peaks (1.16, 0.91, 23.40 ppm; 4.29 A increased from 4.04 A): 1 out of 5 assignments used, quality = 0.95: QG2 THR 34 + QG1 VAL 32 OK 95 96 100 99 4.2-4.3 6542/8749=71...(8) HB2 LEU 6 - QG1 VAL 32 far 0 92 0 - 5.8-6.0 QG2 THR 31 - QG1 VAL 32 far 0 93 0 - 6.0-6.1 HG2 LYS 40 - QG1 VAL 32 far 0 100 0 - 7.1-8.2 HB2 LEU 57 - QG1 VAL 32 far 0 65 0 - 9.0-9.3 Violated in 2 structures by 0.00 A. Peak 8944 from cnoeabs.peaks (1.46, 0.91, 23.40 ppm; 3.59 A increased from 3.19 A): 2 out of 10 assignments used, quality = 1.00: HB2 LEU 38 + QG1 VAL 32 OK 99 100 100 99 2.1-3.5 6586/8932=59...(18) HG LEU 38 + QG1 VAL 32 OK 94 100 100 94 3.5-3.7 2.1/1405=39, 3.7/8934=34...(13) HD2 LYS 40 - QG1 VAL 32 far 0 99 0 - 6.0-7.9 HD3 LYS 40 - QG1 VAL 32 far 0 99 0 - 6.0-7.9 HG3 LYS 66 - QG1 VAL 32 far 0 63 0 - 7.5-8.3 HG3 LYS 39 - QG1 VAL 32 far 0 96 0 - 7.7-8.4 HG12 ILE 7 - QG1 VAL 32 far 0 73 0 - 8.0-8.5 HG2 LYS 66 - QG1 VAL 32 far 0 68 0 - 8.3-9.2 HG LEU 29 - QG1 VAL 32 far 0 91 0 - 8.8-9.2 HB3 LEU 64 - QG1 VAL 32 far 0 70 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 8945 from cnoeabs.peaks (1.58, 0.91, 23.40 ppm; 4.70 A increased from 4.42 A): 1 out of 3 assignments used, quality = 0.76: HG2 LYS 33 + QG1 VAL 32 OK 76 77 100 99 4.5-4.7 4.9/8749=58...(6) HB2 ARG 30 - QG1 VAL 32 far 0 85 0 - 6.1-6.3 HD2 LYS 66 - QG1 VAL 32 far 0 88 0 - 8.4-10.2 Violated in 1 structures by 0.00 A. Peak 8946 from cnoeabs.peaks (1.68, 0.91, 23.40 ppm; 4.95 A increased from 4.40 A): 1 out of 9 assignments used, quality = 0.77: HB3 LEU 6 + QG1 VAL 32 OK 77 77 100 100 4.6-4.7 10160/2.1=79, ~10337=69...(11) HB2 LYS 40 - QG1 VAL 32 far 0 73 0 - 5.5-5.9 HB3 LYS 40 - QG1 VAL 32 far 0 100 0 - 6.7-7.4 HB3 LEU 70 - QG1 VAL 32 far 0 63 0 - 7.2-7.9 HG LEU 70 - QG1 VAL 32 far 0 92 0 - 7.3-8.3 HG12 ILE 15 - QG1 VAL 32 far 0 96 0 - 7.8-9.2 HD2 LYS 39 - QG1 VAL 32 far 0 87 0 - 7.9-8.5 HD3 LYS 66 - QG1 VAL 32 far 0 88 0 - 8.7-10.0 HD3 LYS 39 - QG1 VAL 32 far 0 63 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 8950 from cnoeabs.peaks (3.86, 3.61, 60.29 ppm; 4.84 A): 2 out of 6 assignments used, quality = 1.00: HA LYS 40 + HA LYS 39 OK 100 100 100 100 4.8-4.8 3.6/6643=53, ~6618=46...(14) HA LEU 38 + HA LYS 39 OK 98 98 100 100 4.7-4.8 2.9/10547=54, ~6591=46...(19) HA ALA 71 - HA LYS 39 far 0 96 0 - 5.2-6.0 HA GLU 35 - HA LYS 39 far 0 85 0 - 6.1-6.8 HA GLU 43 - HA LYS 39 far 0 91 0 - 6.2-6.6 HA ALA 67 - HA LYS 39 far 0 99 0 - 6.5-7.3 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 2.3-2.8 9609=100, 9602/3.9=65...(17) HB2 ARG 46 - HA LYS 39 far 0 79 0 - 7.4-9.8 HB2 GLU 37 - HA LYS 39 far 0 84 0 - 7.4-7.6 HB2 GLU 35 - HA LYS 39 far 0 100 0 - 7.5-8.1 HB2 GLU 44 - HA LYS 39 far 0 100 0 - 8.6-9.1 HB3 GLU 44 - HA LYS 39 far 0 100 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 8952 from cnoeabs.peaks (0.81, 3.61, 60.29 ppm; 4.45 A increased from 3.56 A): 2 out of 8 assignments used, quality = 1.00: QD2 LEU 70 + HA LYS 39 OK 100 100 100 100 3.6-4.3 10822=91, 10569/1670=58...(17) QD1 LEU 70 + HA LYS 39 OK 97 100 100 97 3.7-4.6 2.1/10822=70...(14) QD1 ILE 76 - HA LYS 39 far 0 99 0 - 4.8-5.2 QD1 LEU 6 - HA LYS 39 far 0 59 0 - 5.3-5.7 QD2 LEU 38 - HA LYS 39 far 0 98 0 - 5.3-5.6 QG2 VAL 32 - HA LYS 39 far 0 90 0 - 6.1-6.3 QG2 ILE 8 - HA LYS 39 far 0 88 0 - 9.5-10.3 QG2 ILE 52 - HA LYS 39 far 0 75 0 - 9.9-10.4 Violated in 0 structures by 0.00 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 2.0-2.2 8966=57, 3.1/1679=49...(14) QD1 ILE 56 - HA LYS 39 far 0 100 0 - 5.9-6.5 QD2 LEU 6 - HA LYS 39 far 0 97 0 - 6.8-7.1 QG2 VAL 78 - HA LYS 39 far 0 91 0 - 7.3-8.0 QD1 ILE 8 - HA LYS 39 far 0 99 0 - 7.5-7.9 HG13 ILE 56 - HA LYS 39 far 0 97 0 - 7.8-8.4 QG1 VAL 58 - HA LYS 39 far 0 92 0 - 9.5-10.0 QD1 ILE 52 - HA LYS 39 far 0 100 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 8956 from cnoeabs.peaks (0.80, 1.80, 32.18 ppm; 4.43 A increased from 3.94 A): 3 out of 13 assignments used, quality = 1.00: QD2 LEU 70 + HB2 LYS 39 OK 99 99 100 99 2.1-4.3 10569/3.0=70...(16) QD1 LEU 70 + HB2 LYS 39 OK 89 95 95 99 2.9-4.9 ~10569=43, 8957/1.8=40...(19) QD1 ILE 93 + HB2 LYS 90 OK 31 66 50 95 4.5-5.5 10025/3.0=49...(11) QD2 LEU 38 - HB2 LYS 39 far 0 87 0 - 6.2-6.7 QD2 LEU 42 - HB2 LYS 39 far 0 73 0 - 6.5-7.2 QD1 ILE 76 - HB2 LYS 39 far 0 100 0 - 6.7-7.4 QG2 VAL 32 - HB2 LYS 39 far 0 71 0 - 6.8-7.0 QD1 LEU 6 - HB2 LYS 39 far 0 81 0 - 6.9-7.6 QD1 LEU 57 - HB2 LYS 90 far 0 66 0 - 7.2-7.9 QD2 LEU 57 - HB2 LYS 90 far 0 91 0 - 8.7-9.4 QG1 VAL 54 - HB2 LYS 39 far 0 63 0 - 9.3-9.9 QG2 ILE 8 - HB2 LYS 39 far 0 98 0 - 9.3-10.5 QD1 LEU 27 - HB2 LYS 90 far 0 64 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 8957 from cnoeabs.peaks (0.79, 1.86, 32.18 ppm; 3.84 A): 2 out of 44 assignments used, quality = 0.89: QD2 LEU 70 + HB3 LYS 39 OK 73 96 80 94 2.2-4.5 10569/3.0=53...(13) QD1 LEU 70 + HB3 LYS 39 OK 59 88 75 90 2.8-5.3 ~10569=32, ~10822=28...(15) QD1 ILE 15 - HB2 LYS 12 poor 18 60 30 - 4.0-4.8 QD1 ILE 93 - HB3 LYS 90 poor 9 47 20 - 4.0-4.9 QD1 ILE 15 - HB3 LYS 12 far 0 59 0 - 4.2-4.9 QG2 ILE 15 - HB2 LYS 12 far 0 83 0 - 4.7-5.6 QG2 ILE 15 - HB3 LYS 12 far 0 83 0 - 5.8-6.4 HG13 ILE 15 - HB2 LYS 12 far 0 51 0 - 6.1-7.4 QD2 LEU 38 - HB3 LYS 39 far 0 77 0 - 6.2-7.0 QD1 ILE 76 - HB3 LYS 39 far 0 99 0 - 6.2-7.3 QD2 LEU 42 - HB3 LYS 39 far 0 84 0 - 6.3-7.2 HG13 ILE 15 - HB3 LYS 12 far 0 50 0 - 6.4-7.8 QD1 ILE 93 - HB2 LYS 20 far 0 51 0 - 6.7-7.4 QD1 LEU 6 - HB3 LYS 39 far 0 90 0 - 6.9-7.6 QG2 VAL 32 - HB3 LYS 39 far 0 59 0 - 6.9-7.3 QD1 LEU 70 - HB3 LYS 68 far 0 84 0 - 7.0-7.7 QG2 ILE 15 - HB2 LYS 20 far 0 57 0 - 7.3-8.9 QD1 LEU 70 - HB2 LYS 68 far 0 58 0 - 7.4-8.0 QD2 LEU 38 - HB3 LYS 68 far 0 73 0 - 7.6-8.2 QD2 LEU 42 - HB2 LYS 68 far 0 55 0 - 7.6-8.1 QD2 LEU 57 - HB3 LYS 68 far 0 98 0 - 7.6-8.9 QD2 LEU 42 - HB3 LYS 68 far 0 80 0 - 7.7-8.1 QD1 LEU 57 - HB3 LYS 90 far 0 34 0 - 7.9-8.5 QG2 ILE 7 - HB2 LYS 12 far 0 91 0 - 7.9-8.2 QG1 VAL 54 - HB3 LYS 68 far 0 71 0 - 8.2-8.8 QD2 LEU 38 - HB2 LYS 68 far 0 49 0 - 8.5-9.1 QD1 ILE 76 - HB2 LYS 68 far 0 71 0 - 8.5-9.2 QG2 ILE 7 - HB3 LYS 12 far 0 90 0 - 8.6-8.8 QG1 VAL 54 - HB2 LYS 68 far 0 48 0 - 8.6-9.2 QD2 LEU 70 - HB2 LYS 68 far 0 67 0 - 8.6-9.0 QD1 LEU 6 - HB3 LYS 68 far 0 85 0 - 8.7-9.1 QD2 LEU 70 - HB3 LYS 68 far 0 93 0 - 8.7-9.1 QD2 LEU 57 - HB2 LYS 68 far 0 73 0 - 8.7-10.0 QD1 LEU 27 - HB3 LYS 90 far 0 46 0 - 8.8-9.4 QD1 LEU 57 - HB3 LYS 68 far 0 63 0 - 8.8-9.6 QG1 VAL 54 - HB3 LYS 39 far 0 75 0 - 8.8-10.0 QD2 LEU 57 - HB3 LYS 90 far 0 60 0 - 8.9-9.7 QD1 ILE 76 - HB3 LYS 68 far 0 97 0 - 8.9-9.6 QD1 LEU 6 - HB2 LYS 68 far 0 60 0 - 9.2-9.7 QG2 ILE 7 - HB2 LYS 20 far 0 64 0 - 9.3-10.3 QG2 ILE 8 - HB3 LYS 39 far 0 100 0 - 9.5-11.0 QG2 ILE 8 - HB3 LYS 68 far 0 97 0 - 9.5-10.0 QD1 ILE 15 - HB2 LYS 20 far 0 39 0 - 9.9-11.5 QD1 LEU 57 - HB2 LYS 68 far 0 42 0 - 10.0-11.0 Violated in 4 structures by 0.05 A. Peak 8958 from cnoeabs.peaks (0.80, 2.88, 41.80 ppm; 3.49 A): 3 out of 29 assignments used, quality = 0.96: QD2 LEU 70 + HE2 LYS 39 OK 85 99 95 90 2.0-3.8 10569/3.5=39, 10821=30...(15) QD2 LEU 70 + HE3 LYS 39 OK 63 100 70 90 2.0-4.3 10569/3.5=39, 10821=31...(15) QD1 LEU 70 + HE3 LYS 39 OK 22 99 30 74 3.1-5.7 2.1/10821=25, ~10821=17...(15) QD1 LEU 70 - HE2 LYS 66 poor 15 83 25 71 2.9-6.3 10782/2.9=22...(15) QD2 LEU 70 - HE2 LYS 66 far 9 87 10 - 3.6-7.1 QD2 LEU 70 - HE3 LYS 66 far 7 73 10 - 3.5-7.0 QD1 LEU 70 - HE3 LYS 66 far 7 70 10 - 2.8-6.0 QD1 LEU 70 - HE2 LYS 39 far 5 97 5 - 3.4-5.6 QD1 ILE 76 - HE2 LYS 39 far 0 99 0 - 5.9-8.6 QD2 LEU 42 - HE2 LYS 39 far 0 60 0 - 6.9-9.2 QD1 ILE 76 - HE3 LYS 39 far 0 100 0 - 7.1-8.7 QD1 LEU 57 - HE3 LYS 82 far 0 43 0 - 7.1-7.8 QD2 LEU 42 - HE3 LYS 39 far 0 61 0 - 7.4-9.0 QD2 LEU 38 - HE3 LYS 39 far 0 94 0 - 7.7-8.9 QD2 LEU 38 - HE2 LYS 39 far 0 92 0 - 7.8-9.4 QD2 LEU 38 - HE2 LYS 66 far 0 77 0 - 8.1-10.9 QD2 LEU 38 - HE3 LYS 66 far 0 64 0 - 8.2-10.8 QD2 LEU 57 - HE3 LYS 82 far 0 53 0 - 8.3-10.1 QG2 VAL 32 - HE3 LYS 39 far 0 82 0 - 8.5-9.7 QD1 LEU 6 - HE3 LYS 39 far 0 70 0 - 8.6-10.2 QD1 LEU 6 - HE2 LYS 39 far 0 68 0 - 8.6-10.4 QG2 VAL 32 - HE2 LYS 39 far 0 80 0 - 8.7-10.2 QG2 ILE 8 - HE2 LYS 66 far 0 77 0 - 9.0-10.9 QG2 ILE 8 - HE3 LYS 66 far 0 64 0 - 9.0-10.7 QG2 ILE 8 - HE3 LYS 82 far 0 47 0 - 9.4-10.5 QD2 LEU 42 - HE2 LYS 66 far 0 47 0 - 9.5-12.7 QD1 ILE 76 - HE2 LYS 66 far 0 86 0 - 9.8-13.9 QD2 LEU 42 - HE3 LYS 66 far 0 38 0 - 9.8-12.8 QG2 VAL 32 - HE2 LYS 66 far 0 65 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 8959 from cnoeabs.peaks (6.82, 1.36, 24.65 ppm; 5.91 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 41 + HG3 LYS 40 OK 100 100 100 100 2.8-3.6 6657/6649=82...(20) QE TYR 41 + HG3 LYS 40 OK 69 70 100 100 3.3-4.2 5.7/10586=55, ~8865=52...(20) Violated in 0 structures by 0.00 A. Peak 8962 from cnoeabs.peaks (3.71, 1.16, 24.65 ppm; 5.06 A): 1 out of 3 assignments used, quality = 1.00: HA GLU 37 + HG2 LYS 40 OK 100 100 100 100 4.2-5.1 8835=93, 1782/2.9=89...(18) HA LEU 42 - HG2 LYS 40 far 0 100 0 - 7.3-8.0 HB THR 80 - HG3 LYS 82 far 0 34 0 - 8.5-9.2 Violated in 4 structures by 0.00 A. Peak 8963 from cnoeabs.peaks (3.71, 1.36, 24.65 ppm; 5.24 A): 1 out of 5 assignments used, quality = 1.00: HA GLU 37 + HG3 LYS 40 OK 100 100 100 100 2.8-4.4 1782/2.9=92, 1794/2.9=90...(17) HA LYS 90 - HG3 LYS 94 poor 17 41 40 - 4.7-8.2 HA LYS 90 - HG2 LYS 94 poor 9 44 20 - 5.0-7.8 HA LEU 42 - HG3 LYS 40 far 0 100 0 - 7.1-7.6 HA3 GLY 100 - HG3 LYS 94 far 0 74 0 - 9.7-13.4 Violated in 0 structures by 0.00 A. Peak 8964 from cnoeabs.peaks (3.71, 1.46, 28.90 ppm; 4.72 A): 2 out of 6 assignments used, quality = 1.00: HA GLU 37 + HD2 LYS 40 OK 100 100 100 100 2.2-4.3 1782/3.5=74, 1794/3.5=73...(22) HA GLU 37 + HD3 LYS 40 OK 100 100 100 100 2.4-4.7 1782/3.5=74, 1794/3.5=73...(21) HA LYS 90 - HB2 ARG 91 far 0 21 0 - 5.9-6.1 HB THR 80 - HD2 LYS 82 far 0 81 0 - 7.2-8.4 HA LEU 42 - HD3 LYS 40 far 0 100 0 - 9.3-9.7 HA LEU 42 - HD2 LYS 40 far 0 100 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 8965 from cnoeabs.peaks (3.69, 2.77, 41.80 ppm; 6.42 A): 2 out of 4 assignments used, quality = 0.99: HA GLU 37 + HE3 LYS 40 OK 93 93 100 100 4.4-6.0 1782/4.8=75, 8835/4.0=75...(14) HA GLU 37 + HE2 LYS 40 OK 93 93 100 100 4.3-6.0 1782/4.8=75, 8835/4.0=75...(13) HA LEU 42 - HE3 LYS 40 far 0 96 0 - 9.0-11.3 HA LEU 42 - HE2 LYS 40 far 0 96 0 - 9.2-11.3 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 2.0-2.2 8953=97, 1679/3.1=68...(14) 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 3.4-3.8 8953/2.1=100...(15) 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 4.7-5.4 8924/3.1=91...(16) HA LYS 40 + HB2 LEU 42 OK 91 98 100 93 4.9-5.2 3.6/8883=74...(4) HA LEU 38 + HB2 LEU 42 OK 90 91 100 99 5.6-5.9 1623/8883=54, ~10551=46...(11) HA GLU 43 + HB2 LEU 42 OK 77 77 100 100 4.4-4.5 2.9/6687=96, ~6688=73...(12) HA ALA 67 - HB2 LEU 42 far 0 100 0 - 7.6-8.4 HA GLU 35 - HB2 LEU 42 far 0 70 0 - 8.4-9.1 HB3 SER 49 - HB2 LEU 42 far 0 100 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 8970 from cnoeabs.peaks (3.85, 1.30, 40.51 ppm; 5.85 A): 2 out of 7 assignments used, quality = 1.00: HA ALA 71 + HB3 LEU 42 OK 100 100 100 100 3.9-4.5 8924/3.1=94, ~12014=76...(19) HA GLU 43 + HB3 LEU 42 OK 68 68 100 100 4.2-4.4 2.9/6688=96, ~6687=80...(14) HA LYS 40 - HB3 LEU 42 far 0 95 0 - 6.4-6.7 HA LEU 38 - HB3 LEU 42 far 0 84 0 - 6.9-7.1 HB3 SER 49 - HB3 LEU 42 far 0 99 0 - 7.8-9.3 HA ALA 67 - HB3 LEU 42 far 0 100 0 - 8.1-8.8 HA GLU 35 - HB3 LEU 42 far 0 59 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 8971 from cnoeabs.peaks (2.96, 1.81, 40.51 ppm; 6.34 A): 1 out of 6 assignments used, quality = 0.81: HB2 PHE 45 + HB2 LEU 42 OK 81 81 100 100 5.0-5.5 ~10600=78, ~8928=77...(19) HB3 PHE 45 - HB2 LEU 42 far 5 98 5 - 6.6-7.2 HE3 LYS 73 - HB2 LEU 42 far 0 99 0 - 7.4-12.9 HE2 LYS 73 - HB2 LEU 42 far 0 100 0 - 8.8-13.4 HE2 LYS 47 - HB2 LEU 42 far 0 93 0 - 9.4-12.6 HE3 LYS 47 - HB2 LEU 42 far 0 93 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 8977 from cnoeabs.peaks (2.96, 3.94, 58.87 ppm; 5.22 A increased from 4.39 A): 2 out of 4 assignments used, quality = 0.99: HE2 LYS 47 + HA GLU 44 OK 93 99 95 100 2.0-5.7 3.8/10615=64...(12) HE3 LYS 47 + HA GLU 44 OK 84 99 85 100 3.3-6.0 3.8/10615=64...(13) HB2 PHE 45 - HA GLU 44 far 0 92 0 - 5.8-6.0 HB3 PHE 45 - HA GLU 44 far 0 100 0 - 6.6-6.6 Violated in 0 structures by 0.00 A. Peak 8978 from cnoeabs.peaks (2.95, 2.00, 28.65 ppm; 4.79 A): 2 out of 19 assignments used, quality = 0.62: HE3 LYS 90 + HB3 GLU 17 OK 52 58 90 100 3.6-5.8 9045/3.0=67...(24) HB2 PHE 45 + HB2 GLU 44 OK 21 71 30 100 5.0-5.3 3.7/6724=81, 2.5/8989=71...(11) HE2 LYS 47 - HB3 GLU 44 far 9 87 10 - 3.5-7.9 HE2 LYS 20 - HB3 GLU 17 poor 6 32 20 - 4.5-7.9 HE2 LYS 47 - HB2 GLU 44 far 4 87 5 - 4.2-8.6 HE3 LYS 47 - HB3 GLU 44 far 4 87 5 - 4.4-8.1 HB2 ASN 51 - HB2 GLN 50 far 0 51 0 - 5.1-6.8 HE3 LYS 20 - HB3 GLU 17 far 0 33 0 - 5.6-8.3 HB3 PHE 45 - HB2 GLU 44 far 0 95 0 - 5.7-6.0 HG2 MET 21 - HB3 GLU 17 far 0 60 0 - 5.7-7.2 HE3 LYS 47 - HB2 GLU 44 far 0 87 0 - 5.8-8.9 HE3 LYS 13 - HB3 GLU 17 far 0 61 0 - 6.1-10.5 HB2 PHE 45 - HB3 GLU 44 far 0 71 0 - 6.4-6.7 HE2 LYS 13 - HB3 GLU 17 far 0 60 0 - 6.7-10.5 HB3 PHE 45 - HB3 GLU 44 far 0 95 0 - 7.2-7.4 HE3 LYS 12 - HB3 GLU 17 far 0 57 0 - 8.4-13.0 HE3 LYS 47 - HB2 GLN 50 far 0 39 0 - 8.7-14.6 HE2 LYS 47 - HB2 GLN 50 far 0 39 0 - 9.6-14.4 HE3 LYS 24 - HB3 GLU 17 far 0 59 0 - 9.6-14.4 Violated in 2 structures by 0.01 A. Peak 8981 from cnoeabs.peaks (0.79, 2.35, 35.75 ppm; 4.43 A): 2 out of 20 assignments used, quality = 0.85: QD2 LEU 2 + HG2 GLU 48 OK 61 77 80 100 2.2-5.4 9043/1.8=72, ~8056=56...(22) QG2 ILE 15 + HG2 GLU 16 OK 60 67 100 90 3.1-4.6 8530/689=59, 660/6239=58...(7) QD1 ILE 15 - HG2 GLU 16 poor 17 42 40 - 4.5-6.1 QG2 ILE 52 - HG2 GLU 48 far 11 75 15 - 4.7-6.3 QD1 LEU 70 - HG3 GLU 69 far 0 74 0 - 6.5-7.1 QG2 ILE 7 - HG2 GLU 16 far 0 73 0 - 6.5-7.4 QD2 LEU 70 - HG3 GLU 69 far 0 82 0 - 6.7-7.2 QD2 LEU 2 - HG3 GLU 44 far 0 97 0 - 6.7-9.6 QG2 ILE 52 - HG3 GLU 44 far 0 96 0 - 6.8-7.9 QD2 LEU 42 - HG3 GLU 44 far 0 81 0 - 7.8-8.6 QD1 ILE 76 - HG3 GLU 44 far 0 100 0 - 7.9-8.8 QD1 LEU 6 - HG3 GLU 44 far 0 87 0 - 8.2-8.9 QG1 VAL 54 - HG3 GLU 44 far 0 71 0 - 8.3-9.4 QD1 ILE 76 - HG2 GLU 48 far 0 82 0 - 8.3-10.8 QD1 ILE 93 - HG2 GLU 16 far 0 56 0 - 8.6-9.3 QD2 LEU 42 - HG2 GLU 48 far 0 60 0 - 8.9-11.2 QG1 VAL 54 - HG2 GLU 48 far 0 52 0 - 9.0-11.7 QD2 LEU 42 - HG3 GLU 69 far 0 64 0 - 9.6-10.3 QD1 ILE 76 - HG3 GLU 69 far 0 86 0 - 9.8-10.6 QD1 LEU 6 - HG2 GLU 48 far 0 66 0 - 10.0-12.8 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 4.8-5.4 6731/3.6=97...(9) Violated in 0 structures by 0.00 A. Peak 8988 from cnoeabs.peaks (6.83, 2.00, 28.65 ppm; 5.13 A increased from 4.56 A): 2 out of 6 assignments used, quality = 0.98: QD TYR 41 + HB2 GLU 44 OK 97 100 100 97 4.6-4.9 1876/1880=87...(6) HD21 ASN 60 + HB2 GLU 62 OK 31 43 100 73 4.4-5.3 9429=44, 9428/1.8=33 QD TYR 41 - HB3 GLU 44 poor 17 100 25 68 5.2-5.9 8984/3.9=49...(5) QE TYR 41 - HB2 GLU 44 far 0 90 0 - 6.6-7.0 QE TYR 41 - HB3 GLU 44 far 0 90 0 - 7.1-7.6 HD1 TRP 92 - HB3 GLU 17 far 0 33 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 8989 from cnoeabs.peaks (6.67, 2.00, 28.65 ppm; 4.81 A): 1 out of 2 assignments used, quality = 0.93: QD PHE 45 + HB2 GLU 44 OK 93 94 100 99 3.5-4.0 6731/6724=76...(12) QD PHE 45 - HB3 GLU 44 poor 19 94 20 - 4.9-5.3 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 2.7-3.7 8989/3.0=76...(10) Violated in 0 structures by 0.00 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 3.7-4.8 8990/1.8=68...(10) QD PHE 45 - HG2 GLU 48 far 12 82 15 - 5.0-8.2 Violated in 0 structures by 0.00 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 3.7-4.4 8996/3.0=72, 9144/2.5=61...(19) QD2 LEU 42 + HB2 PHE 45 OK 98 99 100 99 2.9-3.3 10600/2.5=85...(12) QG2 ILE 52 + HB3 PHE 45 OK 90 90 100 100 2.6-3.3 8996/3.0=72, 9144/2.5=61...(19) QD2 LEU 42 + HB3 PHE 45 OK 86 88 100 98 3.9-4.3 10600/2.5=85, 8923=38...(11) QD1 ILE 76 + HB2 PHE 45 OK 85 85 100 99 3.1-3.8 9669=78, 9642/2.5=55...(16) QG1 VAL 54 + HB2 PHE 45 OK 62 97 65 98 4.1-5.2 ~9222=53, 9226/4.4=51...(12) QG1 VAL 54 + HB3 PHE 45 OK 58 85 70 98 4.0-5.0 ~9222=53, 9226/4.4=51...(12) QD1 ILE 76 + HB3 PHE 45 OK 57 72 80 99 4.2-4.9 9669/1.8=75, 9642/2.5=55...(13) QG1 VAL 78 + HB2 PHE 45 OK 27 77 75 46 4.3-5.1 10906/9653=18...(5) QG1 VAL 78 - HB3 PHE 45 poor 14 64 50 43 4.3-5.1 10906/9653=14...(5) QD1 LEU 6 - HB2 PHE 45 far 10 100 10 - 4.6-5.5 QD1 LEU 6 - HB3 PHE 45 far 0 90 0 - 5.2-6.0 QD2 LEU 2 - HB3 PHE 45 far 0 59 0 - 5.9-8.0 QD2 LEU 2 - HB2 PHE 45 far 0 71 0 - 7.2-9.4 QD1 LEU 70 - HB2 PHE 45 far 0 57 0 - 9.5-10.5 QD2 LEU 70 - HB2 PHE 45 far 0 73 0 - 9.7-10.5 QD1 LEU 27 - HB3 PHE 45 far 0 89 0 - 9.7-10.7 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 3.3-3.8 9147/2.5=80, 8997/3.0=78...(22) QD1 ILE 52 + HB3 PHE 45 OK 86 86 100 100 1.9-2.6 9147/2.5=80, 8997/3.0=78...(22) QG2 VAL 54 + HB2 PHE 45 OK 80 81 100 99 2.5-3.3 9222/2.5=63, 9223/4.4=40...(16) QG2 VAL 54 + HB3 PHE 45 OK 66 67 100 99 2.1-2.9 9222/2.5=63, 9223/4.4=40...(17) QD1 LEU 42 - HB2 PHE 45 far 0 100 0 - 5.4-5.7 QD2 LEU 6 - HB2 PHE 45 far 0 100 0 - 6.4-7.1 QD1 LEU 42 - HB3 PHE 45 far 0 89 0 - 6.5-6.9 QG2 VAL 78 - HB2 PHE 45 far 0 59 0 - 6.5-7.5 QD1 ILE 56 - HB2 PHE 45 far 0 85 0 - 6.6-7.3 QG2 VAL 78 - HB3 PHE 45 far 0 48 0 - 6.8-7.7 QD2 LEU 6 - HB3 PHE 45 far 0 90 0 - 6.9-7.5 QD1 ILE 56 - HB3 PHE 45 far 0 72 0 - 7.1-7.8 HG13 ILE 56 - HB2 PHE 45 far 0 73 0 - 7.9-8.7 HG13 ILE 56 - HB3 PHE 45 far 0 60 0 - 8.3-9.0 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 = 0.99: QG2 ILE 52 + HA PHE 45 OK 99 100 100 99 3.6-4.1 10647=68, 3.1/8997=61...(16) QD2 LEU 2 - HA PHE 45 far 0 71 0 - 5.0-7.5 QD1 ILE 76 - HA PHE 45 far 0 85 0 - 5.3-6.1 QD2 LEU 42 - HA PHE 45 far 0 99 0 - 5.6-5.9 QG1 VAL 54 - HA PHE 45 far 0 97 0 - 5.8-6.8 QG1 VAL 78 - HA PHE 45 far 0 77 0 - 6.3-7.1 QD1 LEU 6 - HA PHE 45 far 0 100 0 - 6.6-7.1 Violated in 2 structures by 0.00 A. Peak 8997 from cnoeabs.peaks (0.68, 4.52, 55.95 ppm; 3.87 A): 1 out of 6 assignments used, quality = 0.98: QD1 ILE 52 + HA PHE 45 OK 98 98 100 100 1.9-2.4 9170=85, 3.1/8996=54...(17) QG2 VAL 54 - HA PHE 45 far 4 81 5 - 4.0-4.6 QD2 LEU 6 - HA PHE 45 far 0 100 0 - 7.7-8.2 QD1 LEU 42 - HA PHE 45 far 0 100 0 - 7.9-8.1 QG2 VAL 78 - HA PHE 45 far 0 59 0 - 8.8-9.7 QD1 ILE 56 - HA PHE 45 far 0 85 0 - 9.0-9.6 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 11 assignments used, quality = 1.00: QD2 LEU 42 + QD PHE 45 OK 100 100 100 100 2.0-2.7 10600=99, 1944/8928=67...(14) QD1 LEU 6 + QD PHE 45 OK 99 100 100 100 2.6-3.4 8212/2.2=84, 8211=75...(10) QG1 VAL 54 + QD PHE 45 OK 98 99 100 100 2.4-3.4 2.1/9222=84, 9226/2.2=81...(10) QG2 ILE 52 + QD PHE 45 OK 93 98 95 99 4.3-4.8 8996/2035=65, 9144=64...(12) QD1 ILE 76 + QD PHE 45 OK 72 74 100 98 3.7-4.7 9642=56, 9669/2.5=56...(13) QG1 VAL 78 + QD PHE 45 OK 53 86 100 62 3.8-4.6 10906/9632=35...(4) QD2 LEU 2 - QD PHE 45 far 0 58 0 - 5.5-7.6 QD2 LEU 57 - QD PHE 45 far 0 83 0 - 8.8-9.7 QD1 LEU 27 - QD PHE 45 far 0 100 0 - 8.8-9.4 QD2 LEU 70 - QD PHE 45 far 0 60 0 - 8.9-9.7 QG2 ILE 7 - QD PHE 45 far 0 78 0 - 9.5-10.1 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 1.9-2.4 9222=100, 9223/2.2=82...(16) QD2 LEU 6 + QD PHE 45 OK 71 79 90 99 4.4-5.1 2.1/8211=71, 8208/2.2=65...(8) QD1 ILE 52 + QD PHE 45 OK 64 64 100 99 2.3-3.0 3.1/9144=54...(13) QD1 LEU 42 + QD PHE 45 OK 60 76 80 99 4.6-5.1 2.1/10600=93...(11) QD2 LEU 29 - QD PHE 45 far 0 95 0 - 8.7-9.2 QD1 LEU 29 - QD PHE 45 far 0 99 0 - 9.0-9.6 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 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 9001 from cnoeabs.peaks (4.53, 6.51, 129.73 ppm; 5.31 A): 1 out of 1 assignment 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...(10) 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 2.9-3.2 4.6=100 H ALA 71 - QD PHE 45 far 0 98 0 - 8.2-8.9 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 HE2 LYS 47 - QE PHE 45 far 5 100 5 - 6.8-10.7 HE3 LYS 47 - QE PHE 45 far 0 100 0 - 7.8-10.9 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 2.2-3.0 8890/2.2=98, 8887=97...(14) HB2 TYR 4 + QE PHE 45 OK 82 82 100 100 3.9-4.5 1.8/12076=95, 12074=79...(9) HG3 GLU 44 + QE PHE 45 OK 67 67 100 99 4.7-5.5 ~8990=81, ~8989=73...(6) HG2 GLU 48 - QE PHE 45 far 0 96 0 - 6.8-9.9 HB2 GLU 48 - QE PHE 45 far 0 92 0 - 7.6-9.3 HG3 GLU 43 - QE PHE 45 far 0 100 0 - 7.6-9.2 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 2.2-2.9 9226=90, 2.1/9223=74...(15) QD1 LEU 6 + QE PHE 45 OK 100 100 100 100 1.9-2.0 8212=99, 2.1/8208=81...(16) QD2 LEU 42 + QE PHE 45 OK 97 100 100 97 3.4-4.4 10600/2.2=85...(10) QG1 VAL 78 - QE PHE 45 far 0 94 0 - 4.9-5.9 QD1 ILE 76 - QE PHE 45 far 0 63 0 - 5.4-6.5 QG2 ILE 52 - QE PHE 45 far 0 96 0 - 5.8-6.4 QG1 VAL 5 - QE PHE 45 far 0 63 0 - 6.2-7.0 QG2 ILE 7 - QE PHE 45 far 0 67 0 - 7.9-8.4 QD2 LEU 57 - QE PHE 45 far 0 73 0 - 7.9-8.9 QD2 LEU 27 - QE PHE 45 far 0 69 0 - 7.9-8.8 QD1 LEU 27 - QE PHE 45 far 0 100 0 - 8.2-8.7 QG2 ILE 93 - QE PHE 45 far 0 97 0 - 9.2-9.9 QG2 ILE 8 - QE PHE 45 far 0 88 0 - 9.3-10.3 QD1 ILE 93 - QE PHE 45 far 0 100 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 9007 from cnoeabs.peaks (0.68, 6.51, 129.73 ppm; 4.56 A): 3 out of 9 assignments used, quality = 1.00: QD2 LEU 6 + QE PHE 45 OK 99 99 100 100 2.5-3.2 8208=98, 2.1/8212=88...(18) QD1 ILE 52 + QE PHE 45 OK 92 94 100 98 3.8-4.2 9147/2.2=76...(11) QG2 VAL 54 + QE PHE 45 OK 89 89 100 100 2.9-3.6 9223=86, 2.1/9226=77...(17) HG13 ILE 56 - QE PHE 45 far 0 61 0 - 5.2-6.1 QD1 LEU 42 - QE PHE 45 far 0 98 0 - 5.3-6.2 QD1 ILE 56 - QE PHE 45 far 0 75 0 - 5.4-6.3 QD2 LEU 29 - QE PHE 45 far 0 69 0 - 7.0-7.5 QD1 ILE 8 - QE PHE 45 far 0 71 0 - 7.5-8.0 QD1 LEU 29 - QE PHE 45 far 0 88 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 9008 from cnoeabs.peaks (2.32, 6.14, 127.52 ppm; 6.50 A): 2 out of 6 assignments used, quality = 1.00: HB2 TYR 41 + HZ PHE 45 OK 99 99 100 100 2.4-3.4 8890=98, 8887/2.2=97...(12) HB2 TYR 4 + HZ PHE 45 OK 71 71 100 100 4.4-5.1 1.8/8127=97, ~12077=76...(8) HG3 GLU 44 - HZ PHE 45 far 4 79 5 - 6.6-7.5 HG3 GLU 43 - HZ PHE 45 far 0 100 0 - 8.9-11.0 HG2 GLU 48 - HZ PHE 45 far 0 99 0 - 9.2-12.5 HB2 GLU 48 - HZ PHE 45 far 0 84 0 - 9.8-11.6 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 12 assignments used, quality = 1.00: QG1 VAL 54 + HZ PHE 45 OK 100 100 100 100 3.8-4.7 9229=99, 9226/2.2=97...(12) QD1 LEU 6 + HZ PHE 45 OK 100 100 100 100 3.5-4.1 8214=99, 2.1/8215=98...(13) QD2 LEU 42 + HZ PHE 45 OK 24 100 25 96 5.5-6.3 10600/3.8=83...(7) QG1 VAL 5 - HZ PHE 45 far 0 63 0 - 6.8-7.6 QG1 VAL 78 - HZ PHE 45 far 0 94 0 - 6.9-7.8 QD1 ILE 76 - HZ PHE 45 far 0 63 0 - 7.2-8.3 QG2 ILE 52 - HZ PHE 45 far 0 96 0 - 7.2-8.0 QG2 ILE 7 - HZ PHE 45 far 0 68 0 - 8.2-8.9 QD2 LEU 27 - HZ PHE 45 far 0 70 0 - 8.7-9.8 QD1 LEU 27 - HZ PHE 45 far 0 100 0 - 8.9-9.4 QD2 LEU 57 - HZ PHE 45 far 0 73 0 - 9.1-10.3 QG2 ILE 93 - HZ PHE 45 far 0 98 0 - 9.8-10.6 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 2.8-3.7 8215=98, 8208/2.2=88...(17) QG2 VAL 54 + HZ PHE 45 OK 89 90 100 100 3.8-5.0 9223/2.2=72, 2.1/9229=69...(13) QD1 ILE 52 - HZ PHE 45 far 0 94 0 - 5.2-5.8 QD2 LEU 29 - HZ PHE 45 far 0 70 0 - 6.7-7.3 HG13 ILE 56 - HZ PHE 45 far 0 61 0 - 7.2-8.4 QD1 LEU 42 - HZ PHE 45 far 0 98 0 - 7.3-8.2 QD1 ILE 56 - HZ PHE 45 far 0 75 0 - 7.3-8.4 QD1 LEU 29 - HZ PHE 45 far 0 88 0 - 7.7-8.2 QD1 ILE 8 - HZ PHE 45 far 0 71 0 - 8.8-9.7 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 3 assignments used, quality = 0.98: HA MET 74 + HD2 ARG 46 OK 97 100 100 97 3.2-4.9 12326=73, 9013/1.8=62...(9) HA ILE 76 + HD2 ARG 46 OK 27 81 35 96 4.6-6.2 4.2/9017=52, 3.2/9019=48...(10) HA GLU 48 - HD2 ARG 46 far 0 81 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 9013 from cnoeabs.peaks (4.41, 3.19, 43.64 ppm; 5.27 A increased from 4.96 A): 1 out of 3 assignments used, quality = 0.99: HA MET 74 + HD3 ARG 46 OK 99 100 100 99 4.0-5.3 12326/1.8=85, 12327=66...(8) HA ILE 76 - HD3 ARG 46 far 0 90 0 - 5.7-7.3 HA GLU 48 - HD3 ARG 46 far 0 90 0 - 9.3-10.8 Violated in 2 structures by 0.00 A. Peak 9014 from cnoeabs.peaks (4.42, 1.79, 26.76 ppm; 5.99 A): 2 out of 4 assignments used, quality = 1.00: HA ILE 76 + HG3 ARG 46 OK 100 100 100 100 4.0-5.7 3.8/10177=84...(12) HA MET 74 + HG3 ARG 46 OK 57 91 65 97 5.0-7.2 12326/3.0=75...(7) HA GLU 48 - HG3 ARG 46 far 0 100 0 - 6.8-9.3 HA GLN 50 - HG3 ARG 46 far 0 84 0 - 8.0-11.5 Violated in 0 structures by 0.00 A. Peak 9015 from cnoeabs.peaks (1.64, 3.31, 43.64 ppm; 6.22 A increased from 5.86 A): 1 out of 8 assignments used, quality = 0.99: HB ILE 76 + HD2 ARG 46 OK 99 99 100 100 4.9-6.1 3.2/9017=93, 2.1/9019=92...(24) HG3 LYS 73 - HD2 ARG 46 far 0 63 0 - 6.7-10.7 HD2 LYS 73 - HD2 ARG 46 far 0 73 0 - 6.7-12.2 HG3 LYS 47 - HD2 ARG 46 far 0 98 0 - 6.8-9.3 HD3 LYS 73 - HD2 ARG 46 far 0 77 0 - 7.2-11.6 HD3 LYS 39 - HD2 ARG 46 far 0 100 0 - 7.6-9.6 HD2 LYS 39 - HD2 ARG 46 far 0 93 0 - 8.2-10.9 HB ILE 52 - HD2 ARG 46 far 0 68 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 9016 from cnoeabs.peaks (1.43, 3.31, 43.64 ppm; 6.11 A): 2 out of 3 assignments used, quality = 0.99: HG13 ILE 76 + HD2 ARG 46 OK 99 99 100 100 2.2-3.6 2.1/9017=99, ~9020=88...(26) QB ALA 71 + HD2 ARG 46 OK 25 96 30 86 6.2-7.1 10834/9015=59...(3) HG3 LYS 39 - HD2 ARG 46 far 0 96 0 - 6.9-9.0 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 7 assignments used, quality = 1.00: QD1 ILE 76 + HD2 ARG 46 OK 100 100 100 100 2.1-3.3 9020/1.8=84, 10882=69...(27) QD2 LEU 42 - HD2 ARG 46 far 0 77 0 - 5.2-6.0 QG2 ILE 52 - HD2 ARG 46 far 0 94 0 - 6.3-7.2 QD2 LEU 70 - HD2 ARG 46 far 0 99 0 - 7.8-9.5 QG1 VAL 54 - HD2 ARG 46 far 0 68 0 - 8.8-9.9 QD1 LEU 6 - HD2 ARG 46 far 0 84 0 - 8.9-9.7 QD1 LEU 70 - HD2 ARG 46 far 0 93 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 9019 from cnoeabs.peaks (0.88, 3.31, 43.64 ppm; 5.49 A): 1 out of 3 assignments used, quality = 1.00: QG2 ILE 76 + HD2 ARG 46 OK 100 100 100 100 3.9-5.2 3452/9017=83...(27) QD1 LEU 38 - HD2 ARG 46 far 0 94 0 - 8.1-9.2 QD1 LEU 2 - HD2 ARG 46 far 0 100 0 - 9.9-11.0 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 8 assignments used, quality = 0.99: QD1 ILE 76 + HD3 ARG 46 OK 99 99 100 100 2.0-4.2 9017/1.8=71, 10881=68...(24) QD2 LEU 42 - HD3 ARG 46 far 0 85 0 - 4.7-7.0 QG2 ILE 52 - HD3 ARG 46 far 0 98 0 - 6.8-7.6 QD2 LEU 70 - HD3 ARG 46 far 0 96 0 - 7.6-9.7 QD1 LEU 6 - HD3 ARG 46 far 0 91 0 - 8.0-10.1 QG1 VAL 54 - HD3 ARG 46 far 0 77 0 - 8.4-10.6 QD1 LEU 70 - HD3 ARG 46 far 0 87 0 - 8.6-10.8 QD2 LEU 38 - HD3 ARG 46 far 0 75 0 - 9.7-11.7 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 1.9-3.9 2.1/10177=64...(29) QG2 ILE 52 - HG3 ARG 46 far 0 65 0 - 4.9-6.0 QD2 LEU 70 - HG3 ARG 46 far 0 100 0 - 8.2-11.6 QD2 LEU 2 - HG3 ARG 46 far 0 100 0 - 8.9-11.8 QD1 LEU 70 - HG3 ARG 46 far 0 100 0 - 8.9-12.2 QD2 LEU 38 - HG3 ARG 46 far 0 99 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 9023 from cnoeabs.peaks (0.81, 1.82, 26.76 ppm; 4.62 A increased from 4.34 A): 1 out of 5 assignments used, quality = 0.97: QD1 ILE 76 + HG2 ARG 46 OK 97 97 100 100 2.4-4.4 2.1/10178=69...(26) QG2 ILE 52 - HG2 ARG 46 far 7 65 10 - 4.7-6.5 QD2 LEU 70 - HG2 ARG 46 far 0 100 0 - 9.1-11.5 QD2 LEU 2 - HG2 ARG 46 far 0 100 0 - 9.2-11.5 QD1 LEU 70 - HG2 ARG 46 far 0 100 0 - 9.8-12.3 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 6 assignments used, quality = 0.98: QG2 ILE 76 + HA ARG 46 OK 98 99 100 99 2.7-3.6 3.2/9639=60...(22) QD1 LEU 38 - HA LYS 66 far 0 82 0 - 6.5-7.1 QD1 LEU 2 - HA ARG 46 far 0 99 0 - 6.5-7.3 QD2 LEU 64 - HA LYS 66 far 0 84 0 - 7.4-7.9 QG1 VAL 32 - HA LYS 66 far 0 52 0 - 8.3-9.1 QD1 LEU 38 - HA ARG 46 far 0 98 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 9026 from cnoeabs.peaks (0.79, 4.07, 58.19 ppm; 3.94 A increased from 3.71 A): 3 out of 16 assignments used, quality = 1.00: QD1 ILE 76 + HA ARG 46 OK 99 99 100 100 2.9-4.1 9639=99, 3.2/9025=53...(21) QG2 ILE 52 + HA ARG 46 OK 87 98 100 89 3.4-3.8 3.1/9027=47...(10) QD1 LEU 70 + HA LYS 66 OK 66 69 100 95 3.5-3.8 9516/3.0=36...(15) QD2 LEU 70 - HA LYS 66 far 0 79 0 - 4.6-5.3 QD2 LEU 42 - HA ARG 46 far 0 85 0 - 5.1-5.7 QD1 LEU 27 - HA LYS 24 far 0 51 0 - 7.3-7.9 QD2 LEU 2 - HA ARG 46 far 0 95 0 - 7.3-9.7 QG1 VAL 54 - HA ARG 46 far 0 77 0 - 7.4-8.5 QD2 LEU 38 - HA LYS 66 far 0 59 0 - 7.6-8.1 QD1 ILE 93 - HA LYS 24 far 0 52 0 - 8.1-9.1 QD1 LEU 6 - HA ARG 46 far 0 91 0 - 8.1-8.7 QG2 ILE 8 - HA LYS 66 far 0 86 0 - 8.5-8.9 QD2 LEU 42 - HA LYS 66 far 0 68 0 - 8.9-9.5 QG2 VAL 32 - HA LYS 66 far 0 44 0 - 9.6-10.3 QD1 ILE 76 - HA LYS 66 far 0 84 0 - 9.6-10.5 QD1 LEU 6 - HA LYS 66 far 0 73 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 9027 from cnoeabs.peaks (0.69, 4.07, 58.19 ppm; 4.58 A increased from 4.07 A): 1 out of 13 assignments used, quality = 0.98: QD1 ILE 52 + HA ARG 46 OK 98 99 100 99 4.2-4.6 9171=83, 9151/3.0=54...(12) QG2 VAL 54 - HA ARG 46 far 0 73 0 - 5.2-6.2 QD1 ILE 56 - HA LYS 66 far 0 73 0 - 6.8-7.1 QD1 LEU 42 - HA ARG 46 far 0 100 0 - 6.8-7.2 QG1 VAL 58 - HA LYS 66 far 0 54 0 - 6.9-7.1 QD1 LEU 42 - HA LYS 66 far 0 87 0 - 6.9-7.6 QD1 ILE 8 - HA LYS 66 far 0 71 0 - 7.1-7.3 QG2 VAL 58 - HA LYS 66 far 0 83 0 - 7.7-7.9 QG2 VAL 78 - HA LYS 66 far 0 52 0 - 7.9-8.3 QG2 VAL 78 - HA ARG 46 far 0 68 0 - 7.9-8.8 QD1 LEU 29 - HA LYS 24 far 0 39 0 - 8.6-9.0 QD1 ILE 56 - HA ARG 46 far 0 91 0 - 8.8-9.6 HG13 ILE 56 - HA LYS 66 far 0 64 0 - 10.0-10.4 Violated in 1 structures by 0.00 A. Peak 9030 from cnoeabs.peaks (7.47, 2.30, 29.70 ppm; 5.80 A): 2 out of 3 assignments used, quality = 0.94: H ILE 52 + HB2 GLU 48 OK 92 92 100 100 3.5-5.0 3.8/10645=83...(12) H LYS 47 + HB2 GLU 48 OK 30 100 30 100 5.9-6.4 6780/2230=95...(6) HE ARG 46 - HB2 GLU 48 far 0 100 0 - 9.3-12.2 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 2.2-4.6 6806/2236=76, 10630=70...(11) H ASN 51 + HB2 GLU 48 OK 98 98 100 100 2.8-3.8 6836/9114=64...(15) H LEU 2 + HB2 GLU 48 OK 43 63 75 90 5.2-6.5 4.7/9038=62...(7) 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 7 assignments used, quality = 0.99: H LYS 47 + HG3 GLU 44 OK 80 81 100 99 4.6-5.5 6758/4.0=84, 9029=67...(7) H LYS 47 + HG2 GLU 48 OK 79 99 80 99 4.3-6.6 6780/2244=94...(7) HE22 GLN 72 + HG3 GLU 69 OK 64 77 100 83 3.0-6.0 9571/3092=68...(5) HE ARG 19 + HG2 GLU 16 OK 41 78 70 74 3.6-7.9 11050/689=47, ~8525=24...(4) H ILE 52 - HG2 GLU 48 far 0 77 0 - 6.4-7.5 HE ARG 46 - HG3 GLU 44 far 0 82 0 - 8.6-12.5 HE ARG 46 - HG2 GLU 48 far 0 100 0 - 9.7-12.8 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 4.4-4.9 9040/3.0=70, 9177/3.0=69...(25) QG2 VAL 54 - HA GLU 48 far 0 93 0 - 7.7-8.9 Violated in 1 structures by 0.00 A. Peak 9038 from cnoeabs.peaks (0.89, 2.30, 29.70 ppm; 4.98 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 2 + HB2 GLU 48 OK 100 100 100 100 1.8-2.4 8056/3.0=80, 8053/1.8=78...(34) QG2 ILE 76 - HB2 GLU 48 far 0 100 0 - 6.8-7.7 QD1 LEU 103 - HB2 GLU 48 far 0 87 0 - 9.5-18.1 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 = 1.00: QG2 ILE 52 + HB2 GLU 48 OK 100 100 100 100 3.2-4.5 10643/1.8=86...(29) QD2 LEU 2 + HB2 GLU 48 OK 63 63 100 100 1.9-4.5 2.1/9038=68, 9043/3.0=63...(30) QD1 ILE 76 - HB2 GLU 48 far 0 79 0 - 8.2-9.6 QG1 VAL 78 - HB2 GLU 48 far 0 84 0 - 8.5-9.7 QD2 LEU 42 - HB2 GLU 48 far 0 100 0 - 8.7-9.9 QG1 VAL 54 - HB2 GLU 48 far 0 99 0 - 8.7-10.1 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 2.8-3.6 9177/1.8=84...(27) QG2 VAL 54 - HB2 GLU 48 far 0 87 0 - 6.3-7.6 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 12 assignments used, quality = 1.00: QD1 ILE 52 + HB3 GLU 48 OK 100 100 100 100 1.9-2.7 9177=99, 9040/1.8=64...(25) QG2 VAL 54 - HB3 GLU 48 far 0 65 0 - 5.5-6.9 QD1 LEU 14 - HB3 GLU 88 far 0 28 0 - 5.6-6.2 QD2 LEU 27 - HB2 GLU 99 far 0 35 0 - 6.9-9.4 QD2 LEU 14 - HB3 GLU 88 far 0 26 0 - 7.0-7.8 QD2 LEU 27 - HB2 GLU 98 far 0 30 0 - 7.3-8.2 QD2 LEU 27 - HB3 GLU 99 far 0 32 0 - 7.8-9.7 QD2 LEU 27 - HB3 GLU 98 far 0 30 0 - 7.9-8.7 QG2 VAL 58 - HB3 GLU 88 far 0 28 0 - 8.0-8.8 QG1 VAL 5 - HB2 GLU 99 far 0 39 0 - 8.8-12.1 QD2 LEU 27 - HB3 GLU 48 far 0 59 0 - 9.1-10.9 QG1 VAL 5 - HB3 GLU 99 far 0 36 0 - 9.8-12.1 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 1.9-3.6 8056=97, 2.1/9043=73...(22) QD1 LEU 103 - HG3 GLU 99 far 12 79 15 - 2.5-14.2 QG2 ILE 76 - HG3 GLU 48 far 0 98 0 - 7.8-9.4 HG13 ILE 7 - HG3 GLU 17 far 0 68 0 - 8.3-11.1 Violated in 0 structures by 0.00 A. Peak 9043 from cnoeabs.peaks (0.78, 2.43, 35.74 ppm; 4.56 A): 1 out of 15 assignments used, quality = 0.85: QD2 LEU 2 + HG3 GLU 48 OK 85 85 100 100 1.8-3.9 2.1/8056=82...(20) QG2 ILE 52 - HG3 GLU 48 far 0 100 0 - 4.9-6.2 QD1 LEU 27 - HG3 GLU 99 far 0 73 0 - 6.0-8.4 QD1 ILE 93 - HG3 GLU 17 far 0 78 0 - 6.7-7.3 QG2 ILE 15 - HG3 GLU 17 far 0 64 0 - 7.0-8.0 QD1 ILE 15 - HG3 GLU 17 far 0 67 0 - 7.7-9.3 HG13 ILE 15 - HG3 GLU 17 far 0 60 0 - 7.7-9.7 QG2 ILE 93 - HG3 GLU 99 far 0 50 0 - 8.3-9.4 QD2 LEU 57 - HG3 GLU 99 far 0 75 0 - 8.3-10.1 QG2 ILE 7 - HG3 GLU 17 far 0 77 0 - 8.4-9.5 QG1 VAL 54 - HG3 GLU 48 far 0 90 0 - 9.0-10.9 QG2 ILE 93 - HG3 GLU 17 far 0 53 0 - 9.0-9.9 QD1 ILE 76 - HG3 GLU 48 far 0 95 0 - 9.2-10.8 QD2 LEU 42 - HG3 GLU 48 far 0 95 0 - 9.5-10.8 QG1 VAL 78 - HG3 GLU 48 far 0 61 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 9044 from cnoeabs.peaks (0.70, 2.43, 35.74 ppm; 4.56 A increased from 4.29 A): 1 out of 7 assignments used, quality = 1.00: QD1 ILE 52 + HG3 GLU 48 OK 100 100 100 100 3.2-4.5 9177/3.0=73, 9175=70...(22) QD1 LEU 14 - HG3 GLU 17 far 0 67 0 - 5.2-7.0 QD2 LEU 14 - HG3 GLU 17 far 0 83 0 - 6.0-7.7 QD2 LEU 27 - HG3 GLU 99 far 0 57 0 - 6.9-9.6 HG3 ARG 81 - HG3 GLU 99 far 0 42 0 - 7.8-13.1 QD2 LEU 27 - HG3 GLU 48 far 0 81 0 - 8.9-11.0 QG1 VAL 5 - HG3 GLU 99 far 0 61 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 9045 from cnoeabs.peaks (2.95, 2.43, 35.74 ppm; 4.70 A): 1 out of 14 assignments used, quality = 0.74: HE3 LYS 90 + HG3 GLU 17 OK 74 74 100 100 3.0-4.7 11024/1.8=74...(21) HE3 LYS 13 - HG3 GLU 17 far 13 84 15 - 4.1-10.2 HE2 LYS 13 - HG3 GLU 17 far 0 83 0 - 5.1-10.3 HE3 LYS 47 - HG3 GLU 48 far 0 92 0 - 5.5-9.5 HG2 MET 21 - HG3 GLU 17 far 0 78 0 - 5.6-8.3 HE2 LYS 47 - HG3 GLU 48 far 0 92 0 - 6.2-9.5 HB3 PHE 45 - HG3 GLU 48 far 0 98 0 - 6.4-8.0 HB2 ASN 51 - HG3 GLU 48 far 0 99 0 - 6.8-8.8 HB2 PHE 45 - HG3 GLU 48 far 0 79 0 - 7.7-9.2 HE2 LYS 94 - HG3 GLU 99 far 0 48 0 - 8.6-11.8 HB2 SER 9 - HG3 GLU 17 far 0 47 0 - 8.9-11.2 HE3 LYS 12 - HG3 GLU 17 far 0 80 0 - 8.9-14.6 HE3 LYS 24 - HG3 GLU 17 far 0 82 0 - 9.5-14.9 HE2 LYS 24 - HG3 GLU 17 far 0 82 0 - 9.7-14.6 Violated in 1 structures by 0.00 A. Peak 9049 from cnoeabs.peaks (2.41, 4.24, 59.37 ppm; 5.35 A): 2 out of 3 assignments used, quality = 0.41: HG2 GLN 50 + HA SER 49 OK 23 97 25 97 5.4-7.6 5.1/2262=67, 2.9/9051=62...(10) HG3 GLN 50 + HA SER 49 OK 23 95 25 97 5.2-7.6 5.1/2262=67, 2.9/9051=62...(10) HG3 GLU 48 - HA SER 49 far 0 96 0 - 6.4-7.2 Violated in 8 structures by 0.30 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 4.1-5.1 1.8/9052=99, 2236/2.9=98...(21) HB2 TYR 4 - HA SER 49 far 0 100 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 9051 from cnoeabs.peaks (2.18, 4.24, 59.37 ppm; 5.84 A increased from 5.19 A): 1 out of 4 assignments used, quality = 1.00: HB3 GLN 50 + HA SER 49 OK 100 100 100 100 5.4-5.6 6814/2262=92...(11) HB3 GLU 75 - HA SER 49 far 0 99 0 - 7.6-8.7 HG2 MET 1 - HA SER 49 far 0 93 0 - 8.6-9.3 HG3 GLU 75 - HA SER 49 far 0 100 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 9052 from cnoeabs.peaks (2.02, 4.24, 59.37 ppm; 5.28 A increased from 4.97 A): 1 out of 4 assignments used, quality = 0.79: HB3 GLU 48 + HA SER 49 OK 79 79 100 100 4.6-5.2 6800/2.9=68...(17) HB2 GLN 50 - HA SER 49 far 0 100 0 - 5.7-6.5 QE MET 74 - HA SER 49 far 0 95 0 - 8.8-9.4 HB2 GLU 44 - HA SER 49 far 0 94 0 - 10.0-10.6 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 3.2-4.0 2.1/9057=70, 10646=63...(22) HB2 LEU 2 - HA SER 49 far 0 59 0 - 6.1-7.0 HB ILE 76 - HA SER 49 far 0 94 0 - 6.4-7.6 HG3 LYS 47 - HA SER 49 far 0 57 0 - 7.8-8.8 HD2 LYS 47 - HA SER 49 far 0 94 0 - 7.9-10.5 HB3 LYS 53 - HA SER 49 far 0 88 0 - 8.3-8.8 HD3 LYS 47 - HA SER 49 far 0 93 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 9054 from cnoeabs.peaks (1.46, 4.24, 59.37 ppm; 6.14 A increased from 5.77 A): 2 out of 6 assignments used, quality = 1.00: HG13 ILE 52 + HA SER 49 OK 100 100 100 100 5.5-6.1 2.1/9058=98, 3.0/9053=94...(20) HG13 ILE 76 + HA SER 49 OK 84 88 95 100 5.3-6.5 9064/3.0=81, 9070/3.0=64...(11) HG2 LYS 53 - HA SER 49 far 10 100 10 - 6.3-6.9 HG3 LYS 53 - HA SER 49 far 0 99 0 - 7.3-8.0 HG2 LYS 47 - HA SER 49 far 0 73 0 - 7.6-9.2 HD2 LYS 53 - HA SER 49 far 0 100 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 9055 from cnoeabs.peaks (1.02, 4.24, 59.37 ppm; 5.73 A increased from 5.39 A): 1 out of 1 assignment used, quality = 0.92: HG12 ILE 52 + HA SER 49 OK 92 92 100 100 5.0-5.5 2.1/9058=93, 3.0/9053=88...(16) Violated in 0 structures by 0.00 A. Peak 9056 from cnoeabs.peaks (0.86, 4.24, 59.37 ppm; 4.96 A): 2 out of 4 assignments used, quality = 0.99: QG2 ILE 76 + HA SER 49 OK 92 94 100 98 3.4-4.5 9065/3.0=68, 9071/3.0=62...(12) QD1 LEU 2 + HA SER 49 OK 84 95 90 98 4.4-5.4 9034/10189=43...(13) QD1 LEU 103 - HA SER 49 far 0 100 0 - 7.5-17.3 QD2 LEU 103 - HA SER 49 far 0 59 0 - 9.2-16.4 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 1.8-2.4 2.1/9053=80, 9072/3.0=66...(23) QG1 VAL 78 - HA SER 49 far 0 99 0 - 6.1-7.0 QD2 LEU 42 - HA SER 49 far 0 98 0 - 6.9-7.6 QG1 VAL 54 - HA SER 49 far 0 100 0 - 8.0-9.0 QG2 VAL 78 - HA SER 49 far 0 71 0 - 8.4-9.2 QD1 LEU 6 - HA SER 49 far 0 96 0 - 9.4-10.5 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 5 assignments used, quality = 0.99: QD1 ILE 52 + HA SER 49 OK 99 99 100 100 4.0-4.5 3.2/9053=67, 3.1/9057=66...(21) QG2 VAL 54 - HA SER 49 far 0 77 0 - 5.4-6.4 QG2 VAL 78 - HA SER 49 far 0 63 0 - 8.4-9.2 QD1 LEU 42 - HA SER 49 far 0 100 0 - 9.0-9.6 QD1 ILE 56 - HA SER 49 far 0 88 0 - 9.8-10.6 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 = 0.99: HB2 GLU 98 + HB3 SER 97 OK 89 90 100 100 4.6-5.7 3.0/11023=93...(5) HB3 GLU 98 + HB3 SER 97 OK 87 88 100 99 5.5-6.6 3.0/11023=93, ~11022=57...(4) QE MET 21 + HB3 SER 97 OK 59 73 100 80 4.9-5.8 8551/10073=65...(3) HB2 GLU 99 - HB3 SER 97 poor 17 88 45 43 6.2-9.3 10062/4356=33, 3.9/7598=13 HB3 GLU 99 - HB3 SER 97 far 0 79 0 - 7.8-8.9 HG12 ILE 93 - HB3 SER 97 far 0 79 0 - 7.8-8.8 HB2 MET 21 - HB3 SER 97 far 0 96 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 9062 from cnoeabs.peaks (1.97, 4.06, 63.12 ppm; 6.24 A increased from 5.55 A): 2 out of 6 assignments used, quality = 0.98: HB2 ARG 46 + HB2 SER 49 OK 94 100 95 99 4.7-6.6 ~10174=86, ~10173=50...(8) HB3 ARG 46 + HB2 SER 49 OK 73 98 75 99 5.4-6.9 ~10174=86, ~10173=50...(9) HB3 MET 74 - HB2 SER 49 far 0 99 0 - 7.3-9.3 HB2 LYS 47 - HB2 SER 49 far 0 100 0 - 7.5-8.9 QE MET 74 - HB2 SER 49 far 0 77 0 - 7.9-9.2 QE MET 1 - HB2 SER 49 far 0 100 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 9063 from cnoeabs.peaks (1.66, 4.06, 63.12 ppm; 6.39 A increased from 5.68 A): 2 out of 5 assignments used, quality = 0.98: HB ILE 52 + HB2 SER 49 OK 98 98 100 100 5.3-6.2 2.1/9066=100...(15) HB ILE 76 + HB2 SER 49 OK 24 98 25 100 6.0-7.6 2.1/9065=100...(10) HD2 LYS 47 - HB2 SER 49 far 0 88 0 - 7.0-11.2 HG3 LYS 47 - HB2 SER 49 far 0 68 0 - 7.8-9.3 HD3 LYS 47 - HB2 SER 49 far 0 87 0 - 8.7-11.2 Violated in 0 structures by 0.00 A. Peak 9064 from cnoeabs.peaks (1.46, 4.06, 63.12 ppm; 5.55 A): 1 out of 5 assignments used, quality = 0.80: HG13 ILE 76 + HB2 SER 49 OK 80 81 100 100 3.8-5.6 3.2/9065=86, ~9071=55...(12) HG13 ILE 52 - HB2 SER 49 far 0 100 0 - 7.5-8.4 HG2 LYS 47 - HB2 SER 49 far 0 82 0 - 7.5-10.0 HG2 LYS 53 - HB2 SER 49 far 0 100 0 - 8.0-9.2 HG3 LYS 53 - HB2 SER 49 far 0 100 0 - 8.9-10.5 Violated in 1 structures by 0.00 A. Peak 9065 from cnoeabs.peaks (0.88, 4.06, 63.12 ppm; 4.37 A): 1 out of 3 assignments used, quality = 0.93: QG2 ILE 76 + HB2 SER 49 OK 93 100 95 97 3.6-4.7 9638=50, 9071/1.8=49...(13) QD1 LEU 2 - HB2 SER 49 far 0 100 0 - 6.3-7.2 QD1 LEU 103 - HB2 SER 49 far 0 94 0 - 7.8-18.0 Violated in 3 structures by 0.04 A. Peak 9066 from cnoeabs.peaks (0.78, 4.06, 63.12 ppm; 4.09 A): 1 out of 7 assignments used, quality = 1.00: QG2 ILE 52 + HB2 SER 49 OK 100 100 100 100 3.2-4.2 9072/1.8=69, 9047/3.9=38...(19) QD1 ILE 76 - HB2 SER 49 far 0 88 0 - 4.8-6.3 QG1 VAL 78 - HB2 SER 49 far 0 73 0 - 6.4-7.8 QD2 LEU 42 - HB2 SER 49 far 0 99 0 - 6.7-8.2 QD2 LEU 2 - HB2 SER 49 far 0 75 0 - 7.5-9.5 QG1 VAL 54 - HB2 SER 49 far 0 96 0 - 9.0-10.1 QD1 LEU 6 - HB2 SER 49 far 0 100 0 - 9.9-11.2 Violated in 1 structures by 0.01 A. Peak 9067 from cnoeabs.peaks (0.68, 4.06, 63.12 ppm; 6.32 A increased from 5.95 A): 1 out of 5 assignments used, quality = 0.98: QD1 ILE 52 + HB2 SER 49 OK 98 98 100 100 5.4-6.2 3.1/9066=98, 9058/3.0=93...(15) QG2 VAL 54 - HB2 SER 49 far 0 82 0 - 6.7-7.6 QD1 LEU 42 - HB2 SER 49 far 0 100 0 - 8.3-9.9 QG2 VAL 78 - HB2 SER 49 far 0 57 0 - 8.3-9.9 QD1 ILE 56 - HB2 SER 49 far 0 84 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 9068 from cnoeabs.peaks (1.99, 3.86, 63.12 ppm; 6.19 A): 3 out of 8 assignments used, quality = 0.99: HB2 ARG 46 + HB3 SER 49 OK 96 96 100 100 4.2-5.9 3.0/10174=85...(9) HB3 ARG 46 + HB3 SER 49 OK 77 77 100 100 4.6-6.1 3.0/10174=85...(9) HB2 GLN 50 + HB3 SER 49 OK 20 70 30 98 5.2-7.3 6813/4.3=63, ~9051=62...(8) HB2 LYS 47 - HB3 SER 49 far 0 91 0 - 6.5-7.2 HB3 MET 74 - HB3 SER 49 far 0 82 0 - 7.6-9.9 QE MET 74 - HB3 SER 49 far 0 98 0 - 7.9-8.9 QE MET 1 - HB3 SER 49 far 0 98 0 - 8.9-9.5 HB2 GLU 44 - HB3 SER 49 far 0 99 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 9069 from cnoeabs.peaks (1.68, 3.86, 63.12 ppm; 6.24 A increased from 5.87 A): 1 out of 5 assignments used, quality = 0.99: HB ILE 52 + HB3 SER 49 OK 99 99 100 100 5.4-6.2 2.1/9072=100, ~9066=92...(16) HD2 LYS 47 - HB3 SER 49 far 10 100 10 - 6.0-9.7 HB ILE 76 - HB3 SER 49 far 3 65 5 - 6.3-8.2 HD3 LYS 47 - HB3 SER 49 far 0 100 0 - 7.6-9.6 HB2 LEU 2 - HB3 SER 49 far 0 91 0 - 8.4-9.4 Violated in 1 structures by 0.00 A. Peak 9070 from cnoeabs.peaks (1.45, 3.86, 63.12 ppm; 6.50 A): 1 out of 5 assignments used, quality = 0.98: HG13 ILE 76 + HB3 SER 49 OK 98 99 100 100 4.2-6.0 3.2/9071=90, 9064/1.8=87...(12) HG13 ILE 52 - HB3 SER 49 far 0 99 0 - 7.7-8.4 QB ALA 71 - HB3 SER 49 far 0 63 0 - 8.1-9.8 HG2 LYS 53 - HB3 SER 49 far 0 96 0 - 8.9-9.5 HG3 LYS 53 - HB3 SER 49 far 0 91 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 9071 from cnoeabs.peaks (0.86, 3.86, 63.12 ppm; 5.25 A increased from 4.67 A): 1 out of 3 assignments used, quality = 0.94: QG2 ILE 76 + HB3 SER 49 OK 94 94 100 100 3.4-5.0 9065/1.8=85...(13) QD1 LEU 2 - HB3 SER 49 far 0 95 0 - 6.1-6.9 QD1 LEU 103 - HB3 SER 49 far 0 100 0 - 8.9-19.1 Violated in 0 structures by 0.00 A. Peak 9072 from cnoeabs.peaks (0.77, 3.86, 63.12 ppm; 4.34 A increased from 4.08 A): 1 out of 7 assignments used, quality = 1.00: QG2 ILE 52 + HB3 SER 49 OK 100 100 100 100 3.5-4.2 9066/1.8=83, 9165=82...(20) QD1 ILE 76 - HB3 SER 49 far 0 79 0 - 4.8-6.4 QG1 VAL 78 - HB3 SER 49 far 0 84 0 - 6.7-8.3 QD2 LEU 42 - HB3 SER 49 far 0 100 0 - 6.8-8.2 QD2 LEU 2 - HB3 SER 49 far 0 63 0 - 7.2-9.3 QG1 VAL 54 - HB3 SER 49 far 0 99 0 - 8.8-10.5 QD1 LEU 6 - HB3 SER 49 far 0 100 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 9073 from cnoeabs.peaks (0.68, 3.86, 63.12 ppm; 6.01 A increased from 5.66 A): 1 out of 3 assignments used, quality = 0.96: QD1 ILE 52 + HB3 SER 49 OK 96 96 100 100 5.2-6.0 3.1/9072=94, 9058/3.0=88...(19) QG2 VAL 54 - HB3 SER 49 far 0 87 0 - 6.4-8.1 QD1 LEU 42 - HB3 SER 49 far 0 99 0 - 8.5-9.9 Violated in 0 structures by 0.00 A. Peak 9074 from cnoeabs.peaks (4.39, 4.06, 63.12 ppm; 5.01 A): 2 out of 4 assignments used, quality = 0.78: HA ILE 76 + HB2 SER 49 OK 67 70 100 96 3.6-5.1 3.2/9065=75, 3.8/9064=51...(9) HA GLN 50 + HB2 SER 49 OK 35 100 40 86 4.1-5.7 ~2262=47, 3.6/9109=45...(5) HA GLU 48 - HB2 SER 49 far 3 70 5 - 5.3-6.2 HA MET 74 - HB2 SER 49 far 0 99 0 - 8.2-10.0 Violated in 0 structures by 0.00 A. Peak 9075 from cnoeabs.peaks (4.40, 4.24, 59.37 ppm; 5.06 A increased from 4.26 A): 3 out of 3 assignments used, quality = 1.00: HA GLN 50 + HA SER 49 OK 100 100 100 100 4.6-4.9 3.0/2262=91, 3.6/9110=61...(10) HA GLU 48 + HA SER 49 OK 81 81 100 100 4.7-5.4 6798/2.9=75...(22) HA ILE 76 + HA SER 49 OK 61 81 80 94 4.5-5.5 9074/3.0=45, ~9065=41...(10) Violated in 0 structures by 0.00 A. Peak 9077 from cnoeabs.peaks (7.60, 4.24, 59.37 ppm; 4.82 A): 1 out of 3 assignments used, quality = 0.98: H GLU 48 + HA SER 49 OK 98 98 100 100 4.4-4.7 10189=96, 6795/2.9=87...(14) HE22 GLN 50 - HA SER 49 far 0 91 0 - 6.0-8.9 H GLU 44 - HA SER 49 far 0 100 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 9078 from cnoeabs.peaks (7.49, 4.24, 59.37 ppm; 5.20 A): 1 out of 3 assignments used, quality = 0.99: H ILE 52 + HA SER 49 OK 99 100 100 100 3.0-3.5 6860/9053=70...(11) HE ARG 46 - HA SER 49 far 0 95 0 - 5.5-8.7 H LYS 47 - HA SER 49 far 0 96 0 - 5.7-6.6 Violated in 0 structures by 0.00 A. Peak 9079 from cnoeabs.peaks (7.61, 4.06, 63.12 ppm; 6.20 A increased from 5.51 A): 1 out of 3 assignments used, quality = 1.00: H GLU 48 + HB2 SER 49 OK 100 100 100 100 5.0-6.1 6795/3.9=97...(9) HE22 GLN 50 - HB2 SER 49 far 10 99 10 - 6.3-9.3 H GLU 44 - HB2 SER 49 far 0 98 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 9080 from cnoeabs.peaks (7.62, 3.86, 63.12 ppm; 5.78 A): 1 out of 3 assignments used, quality = 1.00: H GLU 48 + HB3 SER 49 OK 100 100 100 100 4.1-4.9 10622=98, 6795/6805=94...(13) HE22 GLN 50 - HB3 SER 49 poor 17 100 30 57 5.2-9.6 9085/4.3=42...(4) H GLU 44 - HB3 SER 49 far 0 94 0 - 9.2-10.4 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 2.1-4.1 3.5=100 H GLU 48 - HG3 GLN 50 far 0 99 0 - 6.0-9.0 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 2.2-4.1 3.5=100 H GLU 48 - HG2 GLN 50 far 0 99 0 - 5.5-8.8 Violated in 0 structures by 0.00 A. Peak 9096 from cnoeabs.peaks (7.62, 4.40, 56.27 ppm; 4.37 A increased from 4.12 A): 1 out of 2 assignments used, quality = 0.85: * HE22 GLN 50 + HA GLN 50 OK 85 100 100 85 3.1-4.4 5.7=46, 3.5/2278=38...(5) H GLU 48 - HA GLN 50 far 0 99 0 - 7.4-7.6 Violated in 1 structures by 0.00 A. Peak 9098 from cnoeabs.peaks (0.83, 2.40, 33.91 ppm; 6.50 A increased from 6.39 A): 1 out of 9 assignments used, quality = 0.91: QD2 LEU 2 + HG2 GLN 50 OK 91 93 100 98 5.6-6.7 ~12293=74, ~10629=64...(9) QD1 ILE 76 - HG2 GLN 72 far 0 51 0 - 7.0-7.8 QD1 LEU 103 - HG2 GLN 50 far 0 63 0 - 7.9-19.0 QD1 LEU 38 - HG2 GLN 72 far 0 43 0 - 8.7-9.3 QD2 LEU 103 - HG2 GLN 50 far 0 100 0 - 8.8-19.2 QD2 LEU 70 - HG2 GLN 72 far 0 60 0 - 8.8-9.2 QD1 LEU 70 - HG2 GLN 72 far 0 67 0 - 8.9-9.4 QD2 LEU 64 - HG2 GLN 72 far 0 41 0 - 9.7-10.4 QD1 ILE 76 - HG2 GLN 50 far 0 82 0 - 9.8-12.8 Violated in 7 structures by 0.03 A. Peak 9100 from cnoeabs.peaks (0.78, 2.43, 33.91 ppm; 6.50 A increased from 5.61 A): 3 out of 11 assignments used, quality = 0.85: QG1 VAL 78 + HG2 GLN 72 OK 61 69 100 89 5.6-6.8 10210/9568=68, ~9566=60 QG2 ILE 52 + HG3 GLN 50 OK 49 100 55 89 5.7-7.8 10202/5.1=39...(8) QD2 LEU 2 + HG3 GLN 50 OK 26 75 35 98 6.0-7.6 ~12293=74, ~10629=64...(8) QD1 ILE 76 - HG2 GLN 72 far 0 83 0 - 7.0-7.8 QD2 LEU 42 - HG2 GLN 72 far 0 95 0 - 7.3-8.1 QD2 LEU 70 - HG2 GLN 72 far 0 72 0 - 8.8-9.2 QD1 LEU 64 - HG2 GLN 72 far 0 61 0 - 8.9-9.6 QD1 LEU 70 - HG2 GLN 72 far 0 57 0 - 8.9-9.4 QG2 ILE 52 - HG2 GLN 72 far 0 98 0 - 9.5-10.9 QG1 VAL 54 - HG2 GLN 72 far 0 91 0 - 9.5-10.5 QD1 ILE 76 - HG3 GLN 50 far 0 88 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 9103 from cnoeabs.peaks (0.70, 2.02, 28.95 ppm; 5.45 A increased from 4.85 A): 3 out of 13 assignments used, quality = 0.88: QD2 LEU 14 + HB3 GLU 17 OK 62 83 100 75 5.0-5.5 4.0/593=57...(4) QD1 LEU 14 + HB3 GLU 17 OK 53 77 100 70 4.7-5.5 4.0/593=57, ~12026=15...(5) QD1 ILE 52 + HB2 GLU 44 OK 33 51 90 71 5.3-5.8 9152/6724=53...(3) QD1 ILE 52 - HB3 GLU 44 far 0 51 0 - 6.3-6.9 QD2 LEU 6 - HB2 GLU 44 far 0 49 0 - 6.4-6.8 QD1 ILE 52 - HB2 GLN 50 far 0 100 0 - 7.3-8.1 QD2 LEU 27 - HB2 GLU 98 far 0 25 0 - 7.3-8.2 QD2 LEU 6 - HB3 GLU 44 far 0 49 0 - 7.6-8.1 QD1 LEU 42 - HB2 GLU 44 far 0 50 0 - 7.7-8.0 QD2 LEU 27 - HB3 GLU 98 far 0 26 0 - 7.9-8.7 QG1 VAL 5 - HB3 GLU 17 far 0 61 0 - 8.3-9.0 QD1 LEU 42 - HB3 GLU 44 far 0 50 0 - 8.5-9.0 QD1 ILE 56 - HB2 GLU 44 far 0 49 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 9111 from cnoeabs.peaks (2.00, 2.95, 39.58 ppm; 4.85 A): 2 out of 3 assignments used, quality = 1.00: HB3 MET 1 + HB2 ASN 51 OK 100 100 100 100 3.7-4.6 3.0/9131=71, 4.2/8030=61...(10) QE MET 1 + HB2 ASN 51 OK 88 88 100 100 1.9-3.1 8030=84, 8032/3.0=66...(12) HB2 GLN 50 - HB2 ASN 51 far 4 87 5 - 5.1-6.8 Violated in 0 structures by 0.00 A. Peak 9114 from cnoeabs.peaks (2.30, 2.67, 39.58 ppm; 5.61 A increased from 4.72 A): 1 out of 2 assignments used, quality = 0.98: HB2 GLU 48 + HB3 ASN 51 OK 98 100 100 98 5.2-5.4 10617/1.8=62...(10) HG2 GLU 48 - HB3 ASN 51 far 0 77 0 - 6.1-8.2 Violated in 0 structures by 0.00 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 3.2-4.2 8030/1.8=87, 8032/3.0=73...(11) HB3 MET 1 + HB3 ASN 51 OK 76 96 80 99 4.2-5.5 3.0/8006=63, ~8005=49...(9) HB2 GLN 50 + HB3 ASN 51 OK 47 65 75 96 4.4-6.8 4.6/6836=60...(9) 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 3 assignments used, quality = 0.96: QD2 LEU 2 + HB3 ASN 51 OK 96 96 100 100 3.3-4.7 2.1/10631=71...(16) QG2 ILE 52 - HB3 ASN 51 far 0 97 0 - 5.6-5.9 QD2 LEU 103 - HB3 ASN 51 far 0 70 0 - 6.3-15.0 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 2.8-3.1 8005=91, 8006/1.8=74...(12) Violated in 0 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 = 0.80: HA LEU 2 + HB2 ASN 51 OK 80 87 100 92 6.2-6.6 8002/9131=61...(5) HA GLU 48 - HB2 ASN 51 far 0 99 0 - 7.7-8.4 Violated in 14 structures by 0.03 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 2.1-3.3 8006=99, 8005/1.8=90...(11) 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 3.9-4.3 14698/3.8=52...(18) QE TYR 4 + HA ILE 52 OK 94 94 100 100 4.0-4.9 14597/4.1=73...(17) 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 4.4-4.6 3.0/10200=92...(12) HA LYS 53 + HA ILE 52 OK 65 65 100 100 4.4-4.5 3.0/6868=100...(7) HA LYS 53 - HA THR 80 far 0 38 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 9142 from cnoeabs.peaks (6.45, 1.67, 42.16 ppm; 4.69 A increased from 4.41 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 4 + HB ILE 52 OK 100 100 100 100 4.1-4.7 8159/3.2=66, 8156/3.0=47...(21) QD TYR 4 + HB ILE 52 OK 73 98 75 100 4.4-5.2 ~8159=42, ~14597=42...(27) Violated in 0 structures by 0.00 A. Peak 9143 from cnoeabs.peaks (6.43, 0.78, 17.78 ppm; 3.33 A): 0 out of 2 assignments used, quality = 0.00: QD TYR 4 - QG2 ILE 52 far 0 100 0 - 4.2-4.7 QE TYR 4 - QG2 ILE 52 far 0 98 0 - 4.6-5.1 Violated in 20 structures by 0.80 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 4.3-4.8 9147/2377=81...(12) Violated in 0 structures by 0.00 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 3.1-4.2 8159/2.1=81, 8156=50...(19) QD TYR 4 + HG12 ILE 52 OK 97 97 100 100 2.3-3.0 9224/9240=62, ~8159=55...(23) 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 2.1-3.0 9224/10208=50, ~8159=50...(29) QE TYR 4 + HG13 ILE 52 OK 98 98 100 100 2.0-3.0 14597/2.1=74...(23) QD TYR 4 - HG LEU 29 far 0 68 0 - 6.6-7.2 QE TYR 4 - HG LEU 29 far 0 63 0 - 8.4-9.0 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 2.3-3.0 3.7/9170=53...(13) 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 1.9-2.7 14597=55, 8157/10640=30...(24) QD TYR 4 + QD1 ILE 52 OK 98 99 100 99 2.2-3.3 2.2/8159=48, 14577=34...(23) 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 2.9-3.3 9036=99, 6792/9177=86...(20) H GLU 44 - QD1 ILE 52 far 0 99 0 - 6.1-6.4 HE22 GLN 50 - QD1 ILE 52 far 0 99 0 - 6.4-10.5 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 3 assignments used, quality = 0.99: H SER 49 + QD1 ILE 52 OK 99 99 100 100 3.1-4.7 9048=99, 2.9/9058=80...(21) HD22 ASN 51 - QD1 ILE 52 far 0 73 0 - 7.2-8.4 H VAL 78 - QD1 ILE 52 far 0 63 0 - 8.0-9.2 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 1 assignment used, quality = 0.97: H ARG 46 + QD1 ILE 52 OK 97 97 100 100 4.2-4.5 3.6/9170=80, 3.0/9512=79...(14) 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 1 assignment used, quality = 1.00: H PHE 45 + QD1 ILE 52 OK 100 100 100 100 4.1-4.4 3.0/9170=96...(13) 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 3.5-4.0 9307=100, 2.1/9302=94...(21) QD1 ILE 7 - HA THR 80 far 0 53 0 - 9.4-9.9 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 = 0.80: QD1 LEU 55 + HA THR 80 OK 62 62 100 100 3.9-4.3 9258=85, 2544/9299=72...(12) HG2 ARG 81 + HA THR 80 OK 46 68 70 97 3.7-6.6 4.9/7311=65, 3.9/9741=49...(9) QD1 LEU 55 - HA ILE 52 far 0 96 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 9157 from cnoeabs.peaks (0.25, 5.34, 59.36 ppm; 5.57 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 3 + HA ILE 52 OK 99 99 100 100 4.6-5.3 8102=99, 8078/6868=89...(11) QD2 LEU 3 - HA THR 80 far 0 68 0 - 9.7-10.4 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 = 0.99: HB3 LEU 2 + HA ILE 52 OK 96 96 100 100 3.7-4.0 1.8/8046=74, 8047=65...(15) QB ALA 67 + HA THR 80 OK 59 60 100 99 4.1-4.4 9732/3.2=67, 9722/3.0=49...(13) HG LEU 3 + HA ILE 52 OK 46 93 50 98 4.5-5.3 2.1/8102=51...(13) HB2 LYS 82 - HA THR 80 far 0 53 0 - 7.2-7.5 HG3 LYS 68 - HA THR 80 far 0 45 0 - 7.8-8.0 HB3 LEU 27 - HA ILE 52 far 0 84 0 - 8.5-9.6 QB ALA 89 - HA THR 80 far 0 57 0 - 9.2-9.6 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 4 assignments used, quality = 1.00: QE MET 1 + HA ILE 52 OK 100 100 100 100 4.0-4.7 8033=100, 8037/3.0=77...(16) HB2 MET 1 - HA ILE 52 far 0 70 0 - 6.6-7.2 HB3 MET 1 - HA ILE 52 far 0 82 0 - 6.8-7.5 HB VAL 32 - HA THR 80 far 0 40 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 9160 from cnoeabs.peaks (2.20, 5.34, 59.36 ppm; 5.43 A): 1 out of 3 assignments used, quality = 1.00: HG2 MET 1 + HA ILE 52 OK 100 100 100 100 4.2-4.8 8034=100, 3.3/8033=77...(14) HB3 GLN 50 - HA ILE 52 far 0 88 0 - 6.5-7.0 HB2 GLU 63 - HA THR 80 far 0 70 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 9162 from cnoeabs.peaks (5.15, 0.78, 17.78 ppm; 5.46 A increased from 4.85 A): 3 out of 4 assignments used, quality = 0.97: HA VAL 54 + QG2 ILE 52 OK 73 100 80 92 5.0-6.0 ~9240=47, ~10208=44...(9) HA LEU 3 + QG2 ILE 52 OK 72 87 90 92 5.3-5.9 9178/6870=74...(6) HA ILE 7 + QG2 ILE 8 OK 56 56 100 100 5.4-5.4 6087/4.0=84, 8273/2.1=82...(8) HA TYR 4 - QG2 ILE 52 far 0 99 0 - 7.1-7.6 Violated in 0 structures by 0.00 A. Peak 9163 from cnoeabs.peaks (4.43, 0.78, 17.78 ppm; 4.61 A): 3 out of 8 assignments used, quality = 0.95: HA GLU 48 + QG2 ILE 52 OK 80 100 80 100 4.1-5.6 3.0/10643=70...(26) HA SER 9 + QG2 ILE 8 OK 68 68 100 100 3.3-3.7 2.9/6104=87, ~6102=41...(16) HA ILE 76 + QG2 ILE 52 OK 27 100 50 53 4.2-5.2 3.2/3431=20...(5) HA VAL 32 - QG2 ILE 8 far 9 61 15 - 4.6-5.7 HA GLN 50 - QG2 ILE 52 far 0 79 0 - 5.4-5.8 HA LEU 2 - QG2 ILE 52 far 0 65 0 - 6.5-6.7 HA MET 74 - QG2 ILE 52 far 0 87 0 - 8.9-10.0 HB THR 84 - QG2 ILE 8 far 0 64 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 9164 from cnoeabs.peaks (4.06, 0.78, 17.78 ppm; 4.90 A): 3 out of 4 assignments used, quality = 1.00: HB2 SER 49 + QG2 ILE 52 OK 100 100 100 100 3.2-4.2 9066=100, 1.8/9072=91...(19) HA ARG 46 + QG2 ILE 52 OK 95 97 100 98 3.4-3.8 9027/3.1=68...(10) HB3 SER 59 + QG2 ILE 8 OK 30 54 75 74 4.2-6.2 4.0/9396=45, 4.6/9419=32...(5) HA LYS 66 - QG2 ILE 8 far 0 60 0 - 8.5-8.9 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 = 1.00: HB3 SER 49 + QG2 ILE 52 OK 100 100 100 100 3.5-4.2 9072=99, 1.8/9066=90...(20) HA GLU 35 - QG2 ILE 8 far 0 53 0 - 5.6-6.6 HA LEU 38 - QG2 ILE 8 far 0 65 0 - 6.1-7.2 HA ALA 67 - QG2 ILE 8 far 0 66 0 - 6.3-6.9 HA GLU 43 - QG2 ILE 52 far 0 92 0 - 7.4-7.9 HA ALA 71 - QG2 ILE 52 far 0 95 0 - 7.6-8.6 HA3 GLY 101 - QG2 ILE 52 far 0 77 0 - 7.9-10.3 HA2 GLY 101 - QG2 ILE 52 far 0 100 0 - 7.9-11.6 HA2 GLY 100 - QG2 ILE 52 far 0 100 0 - 9.1-10.8 HA LYS 12 - QG2 ILE 8 far 0 67 0 - 9.2-9.7 HB2 SER 102 - QG2 ILE 52 far 0 75 0 - 9.8-13.3 HA ALA 89 - QG2 ILE 8 far 0 35 0 - 9.8-10.5 Violated in 0 structures by 0.00 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 2.6-3.3 3.0/8996=61, 2.5/9144=49...(19) HB2 PHE 45 + QG2 ILE 52 OK 96 98 100 99 3.7-4.4 3.0/8996=61, 2.5/9144=49...(19) HB2 SER 9 - QG2 ILE 8 far 0 56 0 - 4.5-5.5 HB2 ASN 51 - QG2 ILE 52 far 0 87 0 - 6.0-6.6 HE2 LYS 47 - QG2 ILE 52 far 0 100 0 - 7.2-9.7 HE3 LYS 47 - QG2 ILE 52 far 0 100 0 - 7.3-9.5 HB3 ASP 11 - QG2 ILE 8 far 0 53 0 - 8.7-9.8 HE2 LYS 12 - QG2 ILE 8 far 0 36 0 - 9.4-11.5 HE3 LYS 12 - QG2 ILE 8 far 0 68 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 9167 from cnoeabs.peaks (2.40, 0.78, 17.78 ppm; 6.06 A increased from 5.39 A): 3 out of 6 assignments used, quality = 0.88: HG3 GLU 48 + QG2 ILE 52 OK 70 70 100 100 4.9-6.2 3.0/10643=95, ~10645=74...(21) HG2 GLN 50 + QG2 ILE 52 OK 50 100 60 83 5.4-7.4 5.1/10202=35...(7) HG3 GLN 50 + QG2 ILE 52 OK 21 65 40 78 5.7-7.8 5.1/10202=35...(7) HG3 MET 1 - QG2 ILE 52 far 0 88 0 - 7.5-8.0 HB2 ASP 11 - QG2 ILE 8 far 0 36 0 - 8.0-8.8 HG2 GLN 72 - QG2 ILE 52 far 0 79 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 9168 from cnoeabs.peaks (2.96, 1.04, 27.19 ppm; 5.78 A): 2 out of 5 assignments used, quality = 1.00: HB3 PHE 45 + HG12 ILE 52 OK 99 99 100 100 2.6-3.9 ~9147=77, ~8997=72...(18) HB2 PHE 45 + HG12 ILE 52 OK 84 84 100 100 4.3-5.6 ~9147=77, ~8997=72...(18) HB2 ASN 51 - HG12 ILE 52 far 0 99 0 - 7.6-8.5 HE2 LYS 47 - HG12 ILE 52 far 0 95 0 - 9.1-12.5 HE3 LYS 47 - HG12 ILE 52 far 0 95 0 - 9.4-12.6 Violated in 0 structures by 0.00 A. Peak 9169 from cnoeabs.peaks (2.95, 1.46, 27.19 ppm; 5.37 A): 2 out of 13 assignments used, quality = 0.95: HB3 PHE 45 + HG13 ILE 52 OK 93 93 100 100 4.0-4.7 ~9147=69, ~8997=64...(20) HE2 LYS 68 + HG LEU 64 OK 33 33 100 99 2.2-5.6 ~10264=67, ~11010=63...(19) HE2 LYS 94 - HG3 ARG 91 poor 12 39 30 - 3.2-9.3 HE3 LYS 94 - HG3 ARG 91 poor 7 29 25 - 2.1-9.5 HB2 PHE 45 - HG13 ILE 52 far 0 68 0 - 5.7-6.5 HB2 ASN 51 - HG13 ILE 52 far 0 100 0 - 6.9-7.4 HG2 MET 21 - HG3 ARG 91 far 0 55 0 - 7.5-9.0 HE2 LYS 47 - HG13 ILE 52 far 0 84 0 - 8.9-12.3 HE3 LYS 47 - HG13 ILE 52 far 0 84 0 - 9.0-12.3 HE3 LYS 90 - HG3 ARG 91 far 0 53 0 - 9.1-11.0 HE3 LYS 73 - HG LEU 38 far 0 93 0 - 9.5-14.2 HE2 LYS 73 - HG LEU 38 far 0 92 0 - 9.9-14.2 HG2 MET 21 - HG LEU 29 far 0 66 0 - 9.9-10.6 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 1.9-2.4 8997=92, 8996/2377=54...(17) HA ASP 77 - QD1 ILE 52 far 0 70 0 - 8.0-9.1 Violated in 0 structures by 0.00 A. Peak 9171 from cnoeabs.peaks (4.06, 0.69, 14.38 ppm; 4.82 A increased from 4.54 A): 1 out of 2 assignments used, quality = 0.98: HA ARG 46 + QD1 ILE 52 OK 98 99 100 100 4.2-4.6 9027=97, 3.0/9151=60...(12) HB2 SER 49 - QD1 ILE 52 far 0 100 0 - 5.4-6.2 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 4.0-4.5 9058=97, 9053/3.2=82...(21) Violated in 0 structures by 0.00 A. Peak 9173 from cnoeabs.peaks (4.44, 0.69, 14.38 ppm; 5.12 A): 2 out of 3 assignments used, quality = 0.98: HA GLU 48 + QD1 ILE 52 OK 96 96 100 100 4.4-4.9 3.0/9177=85, 9037=82...(25) HA LEU 2 + QD1 ILE 52 OK 46 93 50 100 5.0-5.8 3.0/12275=78...(8) HA ILE 76 - QD1 ILE 52 far 0 96 0 - 6.6-7.4 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 99 100 100 99 1.9-2.6 2.5/9147=54, 3.0/8997=50...(22) HB2 PHE 45 + QD1 ILE 52 OK 93 94 100 99 3.3-3.8 2.5/9147=54, 3.0/8997=50...(22) HE2 LYS 47 - QD1 ILE 52 far 0 99 0 - 5.7-8.5 HE3 LYS 47 - QD1 ILE 52 far 0 99 0 - 5.9-8.5 HB2 ASN 51 - QD1 ILE 52 far 0 93 0 - 7.1-7.6 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 3.2-4.5 10431=85, 3.0/9177=67...(22) HB3 TYR 4 + QD1 ILE 52 OK 43 81 55 96 4.1-5.4 4.4/8159=43, 2.5/9148=41...(15) HG2 GLN 50 - QD1 ILE 52 far 0 77 0 - 6.6-8.6 HG3 GLN 50 - QD1 ILE 52 far 0 100 0 - 7.1-9.1 HG3 MET 1 - QD1 ILE 52 far 0 98 0 - 7.7-8.6 Violated in 0 structures by 0.00 A. Peak 9176 from cnoeabs.peaks (2.31, 0.69, 14.38 ppm; 3.95 A): 3 out of 5 assignments used, quality = 1.00: HB2 GLU 48 + QD1 ILE 52 OK 99 99 100 100 2.8-3.6 1.8/9177=73, 9040=60...(25) HB2 TYR 4 + QD1 ILE 52 OK 84 95 95 93 3.0-4.6 2.5/9148=36, 4.4/8159=36...(14) HG2 GLU 48 + QD1 ILE 52 OK 30 85 35 100 3.2-5.1 1.8/10431=59...(22) HB2 TYR 41 - QD1 ILE 52 far 0 100 0 - 6.6-7.2 HG3 GLU 43 - QD1 ILE 52 far 0 97 0 - 9.0-10.0 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 1.9-2.7 9041=89, 1.8/9040=58...(25) HB2 GLU 44 - QD1 ILE 52 far 0 59 0 - 5.3-5.8 HB3 GLU 44 - QD1 ILE 52 far 0 59 0 - 6.3-6.9 HG2 GLU 28 - QD1 ILE 52 far 0 87 0 - 6.4-8.2 HG3 GLU 28 - QD1 ILE 52 far 0 87 0 - 6.8-8.3 QE MET 74 - QD1 ILE 52 far 0 61 0 - 7.3-7.8 HB2 GLN 50 - QD1 ILE 52 far 0 96 0 - 7.3-8.1 HB3 GLU 43 - QD1 ILE 52 far 0 85 0 - 8.1-8.4 HB2 MET 74 - QD1 ILE 52 far 0 88 0 - 8.6-9.3 HB3 MET 1 - QD1 ILE 52 far 0 63 0 - 8.8-9.4 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 3.2-3.3 8115=98, 8114/1.8=84...(22) 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 3.6-3.9 2.1/8114=100...(16) HB3 LEU 2 - HB3 LYS 53 far 0 73 0 - 6.8-7.6 QB ALA 25 - HB3 LYS 53 far 0 61 0 - 8.6-9.4 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 2 assignments used, quality = 0.92: QD1 LEU 3 + HB3 LYS 53 OK 92 92 100 100 4.5-4.7 2.1/8114=100, 10362=89...(17) QD1 LEU 55 - HB3 LYS 53 far 0 100 0 - 6.2-6.9 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 1.9-2.0 8114=80, 9186/1.8=71...(18) Violated in 0 structures by 0.00 A. Peak 9190 from cnoeabs.peaks (0.44, 1.84, 36.45 ppm; 6.22 A increased from 5.86 A): 2 out of 3 assignments used, quality = 0.97: QD1 LEU 3 + HB2 LYS 53 OK 92 92 100 100 5.8-5.9 2.1/9186=100, ~8114=97...(18) QD1 LEU 55 + HB2 LYS 53 OK 69 100 100 69 5.4-6.3 9274/9206=55...(3) HG2 ARG 81 - HB2 LYS 53 far 0 96 0 - 9.5-12.7 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 3.7-4.4 8114/3.0=73, 9186/3.0=66...(23) QD2 LEU 3 + HG3 LYS 53 OK 99 99 100 100 2.3-3.3 8114/3.0=73...(27) 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 2.1-4.1 8114/3.6=59, 9186/3.6=56...(19) Violated in 0 structures by 0.00 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 2.5-3.6 9192/1.8=91...(20) Violated in 0 structures by 0.00 A. Peak 9194 from cnoeabs.peaks (0.44, 1.55, 29.44 ppm; 5.90 A increased from 5.55 A): 1 out of 3 assignments used, quality = 0.92: QD1 LEU 3 + HD3 LYS 53 OK 92 92 100 100 4.8-5.9 2.1/9193=96, ~9192=87...(16) QD1 LEU 55 - HD3 LYS 53 far 5 100 5 - 5.9-7.3 HG2 ARG 81 - HD3 LYS 53 far 0 96 0 - 9.7-13.7 Violated in 2 structures by 0.00 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 4.3-5.9 2.1/9192=100...(19) QD1 LEU 55 - HD2 LYS 53 far 0 100 0 - 7.0-8.8 QD1 LEU 55 - HB2 ARG 91 far 0 57 0 - 9.0-9.6 HG2 ARG 81 - HB2 ARG 91 far 0 53 0 - 9.0-12.4 Violated in 0 structures by 0.00 A. Peak 9197 from cnoeabs.peaks (0.43, 2.83, 41.80 ppm; 6.50 A): 0 out of 5 assignments used, quality = 0.00: QD1 LEU 3 - HE2 LYS 53 poor 15 75 20 - 6.0-7.4 QD1 LEU 3 - HE3 LYS 53 poor 15 75 20 - 4.7-7.6 QD1 LEU 55 - HE2 LYS 53 far 5 100 5 - 6.7-9.5 QD1 LEU 55 - HE3 LYS 53 far 0 100 0 - 6.9-9.6 HG2 ARG 81 - HE3 LYS 82 far 0 48 0 - 8.3-10.1 Violated in 0 structures by 0.00 A. Peak 9198 from cnoeabs.peaks (0.25, 2.83, 41.80 ppm; 3.98 A): 0 out of 2 assignments used, quality = 0.00: QD2 LEU 3 - HE2 LYS 53 far 5 99 5 - 4.2-5.3 QD2 LEU 3 - HE3 LYS 53 far 5 99 5 - 3.2-5.4 Violated in 18 structures by 0.34 A. Peak 9199 from cnoeabs.peaks (0.78, 5.04, 55.43 ppm; 4.28 A): 2 out of 9 assignments used, quality = 1.00: QG2 ILE 52 + HA LYS 53 OK 100 100 100 100 3.2-3.8 6870/3.0=69, 10637=41...(21) QG1 VAL 78 + HA LYS 53 OK 58 65 90 98 3.7-4.6 6898/6886=70, 9230=69...(6) QG1 VAL 54 - HA LYS 53 far 0 92 0 - 5.4-5.5 QD2 LEU 42 - HA LYS 53 far 0 96 0 - 5.9-6.8 QD1 ILE 76 - HA LYS 53 far 0 93 0 - 6.5-7.6 QD1 LEU 6 - HA LYS 53 far 0 99 0 - 7.5-8.3 QD1 LEU 27 - HA LYS 53 far 0 98 0 - 7.8-8.6 QD2 LEU 2 - HA LYS 53 far 0 82 0 - 7.8-8.2 QD2 LEU 57 - HA LYS 53 far 0 97 0 - 9.1-9.7 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...(12) QD2 LEU 6 - HA LYS 53 far 0 59 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 9202 from cnoeabs.peaks (5.13, 1.84, 36.45 ppm; 4.98 A increased from 4.69 A): 2 out of 4 assignments used, quality = 1.00: HA LEU 3 + HB2 LYS 53 OK 99 100 100 99 4.4-4.9 125/8115=80, 9178/3.9=72...(9) HA VAL 54 + HB2 LYS 53 OK 84 84 100 100 4.5-5.1 3.0/6887=88...(19) HA VAL 5 - HB2 LYS 53 far 0 82 0 - 7.2-8.0 HA TYR 4 - HB2 LYS 53 far 0 99 0 - 7.4-8.1 Violated in 0 structures by 0.00 A. Peak 9203 from cnoeabs.peaks (5.14, 1.69, 36.45 ppm; 4.66 A): 2 out of 4 assignments used, quality = 1.00: HA LEU 3 + HB3 LYS 53 OK 99 99 100 100 2.7-3.3 125/8114=79, 9178/3.9=65...(13) HA VAL 54 + HB3 LYS 53 OK 88 88 100 100 4.4-4.8 ~6887=56, 10651=53...(21) HA TYR 4 - HB3 LYS 53 far 0 100 0 - 6.3-6.8 HA VAL 5 - HB3 LYS 53 far 0 77 0 - 6.9-7.8 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 2.9-3.6 9206/1.8=86, 2.2/9205=74...(18) HD21 ASN 51 - HB3 LYS 53 far 0 87 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 9205 from cnoeabs.peaks (7.08, 1.69, 36.45 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.98: HZ PHE 96 + HB3 LYS 53 OK 98 98 100 100 2.0-2.5 2.2/9204=72, 9207/1.8=70...(16) 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 2.8-3.4 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 1 assignment used, quality = 0.87: HZ PHE 96 + HB2 LYS 53 OK 87 87 100 100 2.0-3.1 2.2/9206=84, 9205/1.8=81...(14) 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 3.4-4.0 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; 5.41 A increased from 5.09 A): 2 out of 5 assignments used, quality = 1.00: QE PHE 96 + HG2 LYS 53 OK 98 98 100 100 5.2-5.6 9206/3.0=77, 9204/3.0=73...(20) QE PHE 96 + HG3 LYS 53 OK 97 97 100 100 4.7-5.3 9206/3.0=77, 9204/3.0=73...(22) HD21 ASN 10 - HG2 LYS 12 far 0 82 0 - 7.3-11.4 HD21 ASN 51 - HG3 LYS 53 far 0 99 0 - 7.7-9.5 HD21 ASN 51 - HG2 LYS 53 far 0 100 0 - 8.4-9.6 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 68 100 100 4.6-5.3 9213/3.0=53, ~9206=53...(18) HZ PHE 96 + HG3 LYS 53 OK 66 66 100 100 4.2-4.7 9213/3.0=53, ~9206=53...(19) QD PHE 96 - HG3 LYS 53 far 0 100 0 - 6.2-7.1 QD PHE 96 - HG2 LYS 53 far 0 100 0 - 7.0-7.7 Violated in 0 structures by 0.00 A. Peak 9212 from cnoeabs.peaks (6.96, 1.46, 29.44 ppm; 5.41 A): 2 out of 3 assignments used, quality = 1.00: QE PHE 96 + HD2 LYS 53 OK 100 100 100 100 4.2-5.6 9214/1.8=85, 9206/3.6=76...(16) HE ARG 91 + HB2 ARG 91 OK 36 36 100 100 4.2-5.2 4.6=100 HD21 ASN 51 - HD2 LYS 53 far 0 98 0 - 8.8-11.0 Violated in 0 structures by 0.00 A. Peak 9213 from cnoeabs.peaks (7.04, 1.46, 29.44 ppm; 5.77 A increased from 5.43 A): 1 out of 3 assignments used, quality = 0.88: HZ PHE 96 + HD2 LYS 53 OK 88 88 100 100 3.9-5.8 ~9214=70, 14647/3.6=46...(14) QD PHE 96 - HD2 LYS 53 far 10 99 10 - 5.5-7.2 HZ3 TRP 92 - HB2 ARG 91 far 0 44 0 - 8.5-9.7 Violated in 1 structures by 0.00 A. Peak 9214 from cnoeabs.peaks (6.97, 1.55, 29.44 ppm; 5.22 A): 1 out of 1 assignment used, quality = 0.98: QE PHE 96 + HD3 LYS 53 OK 98 98 100 100 3.0-4.3 9204/2451=67...(19) 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 2 assignments used, quality = 0.98: QD PHE 96 + HD3 LYS 53 OK 89 100 90 99 4.9-5.8 2.2/9214=81, ~9212=44...(12) HZ PHE 96 + HD3 LYS 53 OK 79 79 100 100 3.4-4.3 2.2/9214=81, 9213/1.8=73...(18) 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 4 assignments used, quality = 0.54: QE PHE 96 + HE2 LYS 53 OK 36 82 45 98 4.0-6.5 9214/3.0=52, ~9213=34...(18) QE PHE 96 + HE3 LYS 53 OK 28 82 35 98 4.1-6.5 9214/3.0=52, ~9213=34...(18) HD21 ASN 51 - HE2 LYS 53 far 0 100 0 - 8.1-12.3 HD21 ASN 51 - HE3 LYS 53 far 0 99 0 - 8.6-11.7 Violated in 8 structures by 0.26 A. Peak 9217 from cnoeabs.peaks (7.07, 2.83, 41.80 ppm; 6.44 A increased from 5.15 A): 4 out of 4 assignments used, quality = 1.00: HZ PHE 96 + HE2 LYS 53 OK 100 100 100 100 4.2-6.4 9205/5.0=77, ~9214=69...(15) HZ PHE 96 + HE3 LYS 53 OK 100 100 100 100 4.1-6.7 9205/5.0=77, ~9214=69...(15) QD PHE 96 + HE2 LYS 53 OK 34 63 55 98 5.8-8.0 ~9214=69, 2.2/9216=56...(9) QD PHE 96 + HE3 LYS 53 OK 22 63 35 98 5.9-8.1 ~9214=69, ~9216=49...(9) Violated in 0 structures by 0.00 A. Peak 9220 from cnoeabs.peaks (6.96, 5.16, 60.16 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.99: QE PHE 96 + HA VAL 54 OK 99 100 100 100 3.3-4.6 2.2/9221=75...(10) Violated in 0 structures by 0.00 A. Peak 9221 from cnoeabs.peaks (7.06, 5.16, 60.16 ppm; 4.57 A): 1 out of 2 assignments used, quality = 0.99: HZ PHE 96 + HA VAL 54 OK 99 100 100 99 3.2-3.9 2.2/9220=72, 9219/3.0=57...(11) QD PHE 96 - HA VAL 54 far 0 75 0 - 5.1-6.3 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 1.9-2.4 2.2/9223=61, ~9226=42...(16) 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 2.9-3.6 2.2/9222=79, 9226/2.1=70...(17) Violated in 0 structures by 0.00 A. Peak 9224 from cnoeabs.peaks (6.45, 0.65, 22.12 ppm; 3.89 A): 1 out of 2 assignments used, quality = 0.99: QD TYR 4 + QG2 VAL 54 OK 99 99 100 100 3.0-3.9 2.5/9239=66, 2.5/9238=57...(22) QE TYR 4 - QG2 VAL 54 far 0 100 0 - 4.5-5.3 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 2.2-2.9 9223/2.1=58, 2.2/9229=48...(15) QE PHE 45 - QG1 VAL 78 far 0 75 0 - 4.9-5.9 Violated in 0 structures by 0.00 A. Peak 9227 from cnoeabs.peaks (8.36, 0.65, 22.12 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: H TYR 4 + QG2 VAL 54 OK 100 100 100 100 3.5-4.2 6040/9239=72...(16) 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 3.8-5.0 2.2/9223=94, 9229/2.1=83...(14) 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 3.8-4.7 2.2/9226=93, 9228/2.1=70...(12) HZ PHE 45 - QG1 VAL 78 far 0 81 0 - 6.9-7.8 Violated in 0 structures by 0.00 A. Peak 9230 from cnoeabs.peaks (5.06, 0.76, 21.39 ppm; 4.57 A): 1 out of 2 assignments used, quality = 0.75: HA LYS 53 + QG1 VAL 78 OK 75 76 100 98 3.7-4.6 6886/6898=80...(8) HA LYS 53 - QG1 VAL 54 far 0 96 0 - 5.4-5.5 Violated in 3 structures by 0.00 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...(12) 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 4.5-4.9 6886/6896=99...(11) Violated in 0 structures by 0.00 A. Peak 9233 from cnoeabs.peaks (0.90, 1.89, 35.51 ppm; 4.67 A): 1 out of 5 assignments used, quality = 0.97: QG2 ILE 76 + HB VAL 54 OK 97 98 100 100 3.8-4.2 10877/2.1=94...(9) QD1 LEU 38 - HB VAL 54 far 0 65 0 - 5.3-5.9 QD1 LEU 2 - HB VAL 54 far 0 97 0 - 8.5-9.3 QG1 VAL 32 - HB VAL 54 far 0 99 0 - 9.3-9.7 HG13 ILE 8 - HB VAL 54 far 0 99 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 9234 from cnoeabs.peaks (1.42, 1.89, 35.51 ppm; 5.59 A): 1 out of 7 assignments used, quality = 0.98: QB ALA 71 + HB VAL 54 OK 98 99 100 99 4.5-4.8 10835/11104=78...(5) HG13 ILE 52 - HB VAL 54 far 0 63 0 - 6.4-7.8 HG13 ILE 76 - HB VAL 54 far 0 96 0 - 7.5-7.9 HG LEU 38 - HB VAL 54 far 0 59 0 - 8.2-9.0 HD2 LYS 53 - HB VAL 54 far 0 59 0 - 8.6-9.5 HB2 LEU 38 - HB VAL 54 far 0 68 0 - 9.4-10.2 HG LEU 29 - HB VAL 54 far 0 96 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 9235 from cnoeabs.peaks (4.54, 0.65, 22.12 ppm; 5.43 A): 1 out of 3 assignments used, quality = 0.95: HA PHE 45 + QG2 VAL 54 OK 95 96 100 100 4.0-4.6 3.7/9222=83...(9) HA ASP 77 - QG2 VAL 54 far 0 71 0 - 5.8-6.8 HA PHE 96 - QG2 VAL 54 far 0 87 0 - 9.2-10.3 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 99 3.4-4.0 8928/9222=81...(8) HA3 GLY 100 - QG2 VAL 54 far 0 94 0 - 8.6-11.3 HB THR 80 - QG2 VAL 54 far 0 94 0 - 9.6-10.2 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 2.5-3.3 2.5/9222=85, 4.4/9223=54...(16) HB3 PHE 45 + QG2 VAL 54 OK 92 92 100 100 2.1-2.9 2.5/9222=85, 4.4/9223=54...(17) HE2 LYS 47 - QG2 VAL 54 far 0 98 0 - 8.2-11.1 HE3 LYS 47 - QG2 VAL 54 far 0 98 0 - 8.9-11.2 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 4 assignments used, quality = 0.98: HB3 TYR 4 + QG2 VAL 54 OK 98 98 100 100 2.7-3.7 1.8/9239=87, 2.5/9224=76...(23) HG3 GLU 48 - QG2 VAL 54 far 0 96 0 - 7.1-8.6 HG3 MET 1 - QG2 VAL 54 far 0 82 0 - 8.7-9.5 HG2 GLN 72 - QG2 VAL 54 far 0 91 0 - 9.0-10.4 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 1.9-2.5 8144/2.1=65, 2.5/9224=65...(22) HB2 TYR 41 - QG2 VAL 54 far 0 92 0 - 5.1-5.6 HB2 GLU 48 - QG2 VAL 54 far 0 100 0 - 6.3-7.6 HG2 GLU 48 - QG2 VAL 54 far 0 59 0 - 7.0-9.3 HG3 GLU 43 - QG2 VAL 54 far 0 81 0 - 8.3-9.6 Violated in 0 structures by 0.00 A. Peak 9240 from cnoeabs.peaks (1.05, 0.65, 22.12 ppm; 4.24 A): 1 out of 2 assignments used, quality = 0.87: HG12 ILE 52 + QG2 VAL 54 OK 87 100 100 87 2.6-3.3 1.8/10208=67...(9) HB3 LEU 55 - QG2 VAL 54 far 0 94 0 - 6.0-6.3 Violated in 0 structures by 0.00 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 3.8-4.0 7274/4.0=74, 9682/2.1=60...(11) HA PHE 45 - QG1 VAL 54 far 0 90 0 - 5.8-6.8 HA PHE 45 - QG1 VAL 78 far 0 69 0 - 6.3-7.1 HA ASP 77 - QG1 VAL 54 far 0 82 0 - 7.2-7.8 HA PHE 96 - QG1 VAL 54 far 0 77 0 - 8.8-9.8 HA PHE 96 - QG1 VAL 78 far 0 57 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 9245 from cnoeabs.peaks (2.46, 0.76, 21.39 ppm; 4.73 A): 1 out of 6 assignments used, quality = 1.00: HB3 TYR 4 + QG1 VAL 54 OK 100 100 100 100 2.9-3.7 8147=99, 1.8/8144=92...(24) HG2 GLN 72 - QG1 VAL 78 far 0 43 0 - 5.6-6.8 HB3 TYR 4 - QG1 VAL 78 far 0 83 0 - 6.2-6.9 HG3 GLU 48 - QG1 VAL 54 far 0 70 0 - 9.0-10.9 HG2 GLN 72 - QG1 VAL 54 far 0 59 0 - 9.5-10.5 HG3 GLU 48 - QG1 VAL 78 far 0 51 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 9246 from cnoeabs.peaks (2.28, 0.76, 21.39 ppm; 4.32 A): 1 out of 8 assignments used, quality = 0.96: HB2 TYR 4 + QG1 VAL 54 OK 96 96 100 100 2.8-3.4 8144=95, 1.8/8147=82...(23) HB2 TYR 41 - QG1 VAL 54 far 9 61 15 - 4.5-5.0 HB2 TYR 4 - QG1 VAL 78 far 0 76 0 - 5.3-6.0 HB2 TYR 41 - QG1 VAL 78 far 0 44 0 - 7.1-7.4 HB2 GLU 48 - QG1 VAL 78 far 0 69 0 - 8.5-9.7 HB2 GLU 48 - QG1 VAL 54 far 0 90 0 - 8.7-10.1 HD3 ARG 81 - QG1 VAL 54 far 0 73 0 - 9.5-11.3 HD3 ARG 81 - QG1 VAL 78 far 0 54 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 9247 from cnoeabs.peaks (0.72, -0.63, 42.07 ppm; 4.84 A): 2 out of 17 assignments used, quality = 1.00: QG1 VAL 5 + HB2 LEU 55 OK 100 100 100 100 2.0-4.0 2.1/8198=87, 8195/3.1=85...(22) QG1 VAL 54 + HB2 LEU 55 OK 59 63 100 94 4.0-5.1 4.1/6907=67...(9) QG2 ILE 93 - HB2 LEU 55 far 13 84 15 - 5.0-6.4 HG13 ILE 93 - HB2 LEU 55 far 5 93 5 - 5.1-7.2 HG3 ARG 81 - HB2 LEU 55 far 0 96 0 - 6.3-9.6 HG13 ILE 56 - HB2 LEU 55 far 0 99 0 - 6.5-7.4 QG2 VAL 78 - HB2 LEU 55 far 0 100 0 - 6.6-7.5 QG1 VAL 78 - HB2 LEU 55 far 0 91 0 - 6.6-7.2 QD2 LEU 27 - HB2 LEU 55 far 0 100 0 - 6.9-7.6 QD1 ILE 56 - HB2 LEU 55 far 0 95 0 - 6.9-7.1 QD2 LEU 6 - HB2 LEU 55 far 0 61 0 - 7.0-8.4 QD1 ILE 52 - HB2 LEU 55 far 0 77 0 - 8.3-9.5 QG1 VAL 58 - HB2 LEU 55 far 0 100 0 - 8.5-9.0 QD1 ILE 8 - HB2 LEU 55 far 0 96 0 - 8.7-9.7 QD1 LEU 64 - HB2 LEU 55 far 0 95 0 - 8.8-9.2 QD2 LEU 14 - HB2 LEU 55 far 0 96 0 - 9.6-11.3 QD1 LEU 42 - HB2 LEU 55 far 0 65 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 9248 from cnoeabs.peaks (0.71, 1.03, 42.07 ppm; 4.59 A): 1 out of 17 assignments used, quality = 0.97: QG1 VAL 5 + HB3 LEU 55 OK 97 97 100 100 2.1-4.3 8195/3.1=77, 3.2/8189=69...(20) HG13 ILE 93 - HB3 LEU 55 far 4 75 5 - 4.6-6.7 QG2 ILE 93 - HB3 LEU 55 far 0 61 0 - 5.1-6.3 HG3 ARG 81 - HB3 LEU 55 far 0 82 0 - 6.2-9.3 HG13 ILE 56 - HB3 LEU 55 far 0 100 0 - 6.4-7.4 QG1 VAL 78 - HB3 LEU 55 far 0 71 0 - 6.5-7.2 QG2 VAL 78 - HB3 LEU 55 far 0 99 0 - 6.7-7.5 QD1 ILE 56 - HB3 LEU 55 far 0 100 0 - 6.8-7.1 QD2 LEU 6 - HB3 LEU 55 far 0 84 0 - 6.9-8.4 QD2 LEU 27 - HB3 LEU 55 far 0 95 0 - 7.0-7.6 QG1 VAL 58 - HB3 LEU 55 far 0 99 0 - 8.0-9.1 QD1 ILE 52 - HB3 LEU 55 far 0 94 0 - 8.4-9.6 QD1 ILE 8 - HB3 LEU 55 far 0 100 0 - 8.5-9.9 QD1 LEU 64 - HB3 LEU 55 far 0 79 0 - 8.5-9.4 QG2 VAL 58 - HB3 LEU 55 far 0 63 0 - 8.9-10.1 QD2 LEU 14 - HB3 LEU 55 far 0 100 0 - 9.7-11.3 QD1 LEU 42 - HB3 LEU 55 far 0 87 0 - 9.8-10.5 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 2.5-4.1 8189=100, 9295/6908=81...(27) HA LEU 3 - HB3 LEU 55 far 0 84 0 - 6.7-7.6 HA ILE 7 - HB3 LEU 55 far 0 79 0 - 6.8-8.7 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 2.2-4.1 8189/1.8=99...(23) HA TYR 4 - HB2 LEU 55 far 0 68 0 - 5.7-7.1 HA LEU 3 - HB2 LEU 55 far 0 92 0 - 6.5-7.4 HA ILE 7 - HB2 LEU 55 far 0 88 0 - 7.0-8.7 Violated in 0 structures by 0.00 A. Peak 9251 from cnoeabs.peaks (1.53, 0.44, 22.30 ppm; 3.89 A increased from 3.46 A): 3 out of 9 assignments used, quality = 1.00: HG2 ARG 79 + QD1 LEU 55 OK 97 100 100 97 2.1-3.8 3.0/9252=61, 9695=55...(10) HG3 ARG 79 + QD1 LEU 55 OK 73 100 75 98 2.1-4.6 3.0/9252=61, 3.0/9693=47...(15) HG LEU 57 + QD1 LEU 55 OK 71 75 95 100 3.8-5.4 2.1/9272=85...(17) HG12 ILE 56 - QD1 LEU 55 far 0 100 0 - 5.1-5.4 HD3 LYS 53 - QD1 LEU 55 far 0 92 0 - 5.9-7.3 HB3 LEU 103 - QD1 LEU 55 far 0 99 0 - 6.0-17.0 HB ILE 7 - QD1 LEU 55 far 0 99 0 - 7.5-8.4 HG LEU 6 - QD1 LEU 55 far 0 100 0 - 7.6-8.0 HB2 LEU 3 - QD1 LEU 55 far 0 91 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 9252 from cnoeabs.peaks (1.66, 0.44, 22.30 ppm; 3.72 A): 1 out of 9 assignments used, quality = 0.96: HB3 ARG 79 + QD1 LEU 55 OK 96 100 100 96 1.9-3.7 1.8/9693=54...(12) HB3 LYS 53 - QD1 LEU 55 far 0 84 0 - 6.2-6.9 HB3 LEU 6 - QD1 LEU 55 far 0 99 0 - 7.6-8.0 HB3 ARG 91 - QD1 LEU 55 far 0 88 0 - 7.7-8.4 HD3 LYS 68 - QD1 LEU 55 far 0 99 0 - 8.9-10.9 HD2 LYS 68 - QD1 LEU 55 far 0 100 0 - 9.0-10.7 HB ILE 76 - QD1 LEU 55 far 0 96 0 - 9.4-10.5 HG2 LYS 68 - QD1 LEU 55 far 0 95 0 - 9.6-10.2 HD2 LYS 94 - QD1 LEU 55 far 0 68 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 9253 from cnoeabs.peaks (2.31, 0.44, 22.30 ppm; 5.75 A increased from 5.42 A): 1 out of 3 assignments used, quality = 0.99: HD3 ARG 81 + QD1 LEU 55 OK 99 100 100 99 4.5-5.7 3629/9257=67...(9) HG2 GLU 95 - QD1 LEU 55 poor 16 65 25 - 4.8-8.4 HB2 TYR 4 - QD1 LEU 55 far 0 96 0 - 7.4-8.0 Violated in 0 structures by 0.00 A. Peak 9254 from cnoeabs.peaks (3.08, 0.44, 22.30 ppm; 4.61 A increased from 3.69 A): 4 out of 4 assignments used, quality = 1.00: HB2 PHE 96 + QD1 LEU 55 OK 96 96 100 100 3.7-4.7 1.8/9256=78...(23) HB2 TRP 92 + QD1 LEU 55 OK 89 94 95 100 4.1-5.1 1.8/9255=82, 9987/2.1=66...(17) HD3 ARG 79 + QD1 LEU 55 OK 34 99 35 99 2.6-5.3 3.8/9252=68, 3.8/9693=54...(12) HD2 ARG 79 + QD1 LEU 55 OK 24 99 25 98 3.7-5.5 3.8/9252=68, 3.8/9693=54...(11) Violated in 0 structures by 0.00 A. Peak 9255 from cnoeabs.peaks (3.20, 0.44, 22.30 ppm; 4.46 A): 1 out of 2 assignments used, quality = 1.00: HB3 TRP 92 + QD1 LEU 55 OK 100 100 100 100 2.7-3.7 9992/2.1=72, 9993=66...(18) HB2 ASP 77 - QD1 LEU 55 far 0 98 0 - 8.0-9.2 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 2.8-3.4 10050/2.1=72, 10051=63...(22) Violated in 0 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 5.0-5.5 3.0/9280=85...(11) HA SER 102 - QD1 LEU 55 far 0 91 0 - 8.2-12.9 Violated in 0 structures by 0.00 A. Peak 9258 from cnoeabs.peaks (5.32, 0.44, 22.30 ppm; 4.52 A): 1 out of 2 assignments used, quality = 0.97: HA THR 80 + QD1 LEU 55 OK 97 98 100 99 3.9-4.3 9299/2544=70...(12) HA ILE 52 - QD1 LEU 55 far 0 93 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 9259 from cnoeabs.peaks (5.15, 0.44, 22.30 ppm; 5.99 A increased from 5.64 A): 1 out of 4 assignments used, quality = 0.97: HA VAL 54 + QD1 LEU 55 OK 97 99 100 98 5.3-5.9 6902/2537=91, ~10654=34...(7) HA ILE 7 - QD1 LEU 55 far 0 93 0 - 6.7-7.5 HA LEU 3 - QD1 LEU 55 far 0 90 0 - 7.3-8.1 HA TYR 4 - QD1 LEU 55 far 0 100 0 - 7.7-8.1 Violated in 0 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 4.0-4.7 3.0/9263=88...(14) 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 3 assignments used, quality = 1.00: HA VAL 5 + QD2 LEU 55 OK 100 100 100 100 3.6-4.4 3.2/8195=84, 8189/3.1=82...(18) HA ILE 7 - QD2 LEU 55 far 0 79 0 - 5.8-6.7 HA LEU 3 - QD2 LEU 55 far 0 84 0 - 7.3-7.7 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 2.3-2.8 10009=70, 3.2/10014=39...(16) 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 2.0-2.7 10050=82, 2.4/9284=64...(22) 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 3 assignments used, quality = 0.95: HB3 TRP 92 + QD2 LEU 55 OK 95 95 100 100 1.9-2.6 9992=78, 1.8/9987=62...(15) HD2 ARG 19 - QD2 LEU 55 far 0 100 0 - 9.7-11.4 HB2 ASP 77 - QD2 LEU 55 far 0 77 0 - 9.9-10.7 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 4 assignments used, quality = 0.99: HB2 PHE 96 + QD2 LEU 55 OK 93 93 100 100 2.3-3.3 1.8/9263=74, 2.4/9284=62...(25) HB2 TRP 92 + QD2 LEU 55 OK 90 91 100 99 2.9-3.7 1.8/9264=65, 9987=46...(14) HD3 ARG 79 - QD2 LEU 55 far 0 100 0 - 4.3-7.3 HD2 ARG 79 - QD2 LEU 55 far 0 99 0 - 5.5-7.6 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 2.8-4.0 2.1/10021=74...(14) HB2 GLU 99 - QD2 LEU 55 far 0 90 0 - 6.2-9.2 HB3 LYS 94 - QD2 LEU 55 far 0 100 0 - 6.8-7.4 HB2 MET 21 - QD2 LEU 55 far 0 79 0 - 6.9-7.9 HB3 GLU 99 - QD2 LEU 55 far 0 96 0 - 7.2-9.2 HB2 GLU 98 - QD2 LEU 55 far 0 88 0 - 8.0-8.8 HB3 GLU 17 - QD2 LEU 55 far 0 96 0 - 9.4-10.0 HB3 GLU 98 - QD2 LEU 55 far 0 90 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 9267 from cnoeabs.peaks (1.82, 0.51, 26.14 ppm; 5.21 A): 2 out of 7 assignments used, quality = 1.00: HB3 LEU 57 + QD2 LEU 55 OK 100 100 100 100 4.1-5.2 3.1/9269=95...(15) HB ILE 93 + QD2 LEU 55 OK 94 94 100 100 4.4-4.9 3.0/9262=91...(10) HB2 LYS 53 - QD2 LEU 55 far 0 92 0 - 6.7-7.3 HB2 GLU 88 - QD2 LEU 55 far 0 98 0 - 7.4-8.1 HB3 LYS 90 - QD2 LEU 55 far 0 98 0 - 7.8-8.2 HB2 LYS 90 - QD2 LEU 55 far 0 99 0 - 7.9-8.3 HB2 GLU 104 - QD2 LEU 55 far 0 98 0 - 9.4-16.6 Violated in 0 structures by 0.00 A. Peak 9268 from cnoeabs.peaks (1.50, 0.51, 26.14 ppm; 4.43 A): 1 out of 11 assignments used, quality = 1.00: HG LEU 57 + QD2 LEU 55 OK 100 100 100 100 2.6-3.7 2.1/9269=95...(16) HG2 ARG 79 - QD2 LEU 55 far 4 73 5 - 4.6-6.2 HG3 ARG 79 - QD2 LEU 55 far 4 71 5 - 4.7-7.1 HB ILE 7 - QD2 LEU 55 far 0 92 0 - 5.9-6.8 HG12 ILE 56 - QD2 LEU 55 far 0 79 0 - 6.3-6.7 HG LEU 6 - QD2 LEU 55 far 0 88 0 - 7.1-7.8 HB3 LEU 103 - QD2 LEU 55 far 0 91 0 - 7.2-16.9 HB2 ARG 91 - QD2 LEU 55 far 0 96 0 - 7.9-8.4 HG3 LYS 53 - QD2 LEU 55 far 0 70 0 - 8.4-9.2 HG2 LYS 53 - QD2 LEU 55 far 0 59 0 - 8.9-9.4 HG3 ARG 30 - QD2 LEU 55 far 0 81 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 9269 from cnoeabs.peaks (0.80, 0.51, 26.14 ppm; 3.20 A): 1 out of 13 assignments used, quality = 0.98: QD2 LEU 57 + QD2 LEU 55 OK 98 100 100 99 2.0-2.6 2.1/10212=52...(19) QD1 LEU 57 - QD2 LEU 55 far 4 85 5 - 2.9-3.6 QD1 ILE 93 - QD2 LEU 55 far 0 71 0 - 3.8-4.1 QD1 LEU 27 - QD2 LEU 55 far 0 70 0 - 4.2-4.7 QG2 ILE 7 - QD2 LEU 55 far 0 100 0 - 6.6-7.4 QD1 LEU 6 - QD2 LEU 55 far 0 73 0 - 7.0-7.3 QD2 LEU 103 - QD2 LEU 55 far 0 87 0 - 7.0-13.5 QD2 LEU 38 - QD2 LEU 55 far 0 92 0 - 7.8-8.2 QG2 VAL 32 - QD2 LEU 55 far 0 79 0 - 8.2-8.9 QG2 ILE 15 - QD2 LEU 55 far 0 100 0 - 8.4-9.3 QD2 LEU 42 - QD2 LEU 55 far 0 65 0 - 8.4-8.8 QG2 ILE 52 - QD2 LEU 55 far 0 87 0 - 8.9-9.9 QG2 ILE 8 - QD2 LEU 55 far 0 96 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 9270 from cnoeabs.peaks (0.72, 0.51, 26.14 ppm; 3.24 A): 2 out of 19 assignments used, quality = 1.00: QG1 VAL 5 + QD2 LEU 55 OK 100 100 100 100 1.9-3.0 8195=72, 177/2.1=33...(26) HG13 ILE 93 + QD2 LEU 55 OK 87 93 100 93 2.6-3.4 2.1/10021=37...(15) QG2 ILE 93 - QD2 LEU 55 far 13 84 15 - 3.4-4.1 HG3 ARG 81 - QD2 LEU 55 far 0 96 0 - 3.8-6.7 QG1 VAL 54 - QD2 LEU 55 far 0 63 0 - 5.3-5.7 QD2 LEU 27 - QD2 LEU 55 far 0 100 0 - 6.1-6.6 QD1 ILE 56 - QD2 LEU 55 far 0 95 0 - 6.9-7.2 HG13 ILE 56 - QD2 LEU 55 far 0 99 0 - 7.0-7.4 QD2 LEU 6 - QD2 LEU 55 far 0 61 0 - 7.0-7.8 QG1 VAL 58 - QD2 LEU 55 far 0 100 0 - 7.1-7.5 QG2 VAL 78 - QD2 LEU 55 far 0 100 0 - 7.1-7.6 QD1 LEU 64 - QD2 LEU 55 far 0 95 0 - 7.2-7.7 QG1 VAL 78 - QD2 LEU 55 far 0 91 0 - 7.4-7.7 QD2 LEU 14 - QD2 LEU 55 far 0 96 0 - 7.4-8.2 QD1 ILE 8 - QD2 LEU 55 far 0 96 0 - 7.9-8.5 QD1 ILE 52 - QD2 LEU 55 far 0 77 0 - 8.7-9.7 QD1 LEU 42 - QD2 LEU 55 far 0 65 0 - 9.7-10.2 HG13 ILE 15 - QD2 LEU 55 far 0 77 0 - 9.9-11.4 QD1 ILE 15 - QD2 LEU 55 far 0 68 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 9271 from cnoeabs.peaks (0.74, 0.44, 22.30 ppm; 4.22 A increased from 3.55 A): 2 out of 18 assignments used, quality = 1.00: QG1 VAL 5 + QD1 LEU 55 OK 99 99 100 100 3.7-4.4 8195/2.1=86, 2.1/8197=65...(26) HG3 ARG 81 + QD1 LEU 55 OK 67 100 70 95 2.7-5.3 4.9/9280=37, 3.0/9253=37...(12) QG1 VAL 54 - QD1 LEU 55 far 0 85 0 - 4.9-5.4 HG13 ILE 93 - QD1 LEU 55 far 0 100 0 - 5.0-5.7 QG2 VAL 78 - QD1 LEU 55 far 0 96 0 - 5.2-5.9 QD1 LEU 64 - QD1 LEU 55 far 0 100 0 - 5.5-6.1 QG2 ILE 93 - QD1 LEU 55 far 0 97 0 - 5.6-6.2 QD1 ILE 56 - QD1 LEU 55 far 0 79 0 - 5.6-5.9 QD1 ILE 93 - QD1 LEU 55 far 0 71 0 - 5.7-6.3 QG1 VAL 78 - QD1 LEU 55 far 0 99 0 - 5.8-6.7 QD1 LEU 27 - QD1 LEU 55 far 0 73 0 - 5.8-6.3 HG13 ILE 56 - QD1 LEU 55 far 0 90 0 - 6.1-6.5 QG1 VAL 58 - QD1 LEU 55 far 0 96 0 - 6.3-6.7 QD1 LEU 6 - QD1 LEU 55 far 0 70 0 - 6.8-7.2 QD1 ILE 8 - QD1 LEU 55 far 0 82 0 - 7.3-7.8 QD2 LEU 42 - QD1 LEU 55 far 0 77 0 - 7.4-8.0 QD2 LEU 27 - QD1 LEU 55 far 0 100 0 - 7.5-8.0 QD2 LEU 14 - QD1 LEU 55 far 0 81 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 9272 from cnoeabs.peaks (0.83, 0.44, 22.30 ppm; 3.20 A): 1 out of 12 assignments used, quality = 0.75: QD2 LEU 57 + QD1 LEU 55 OK 75 75 100 99 1.8-3.2 9269/2.1=47...(26) QD1 LEU 57 - QD1 LEU 55 far 5 100 5 - 3.3-3.7 QD1 LEU 103 - QD1 LEU 55 far 0 61 0 - 4.4-14.5 QD2 LEU 103 - QD1 LEU 55 far 0 100 0 - 6.5-13.6 QD2 LEU 64 - QD1 LEU 55 far 0 65 0 - 7.4-8.2 QD2 LEU 38 - QD1 LEU 55 far 0 100 0 - 7.4-7.9 QD1 LEU 38 - QD1 LEU 55 far 0 70 0 - 7.6-8.2 QG2 ILE 7 - QD1 LEU 55 far 0 81 0 - 7.8-8.5 QG2 VAL 32 - QD1 LEU 55 far 0 100 0 - 8.5-8.8 QG2 ILE 8 - QD1 LEU 55 far 0 57 0 - 8.8-9.5 QD1 ILE 76 - QD1 LEU 55 far 0 84 0 - 9.2-9.9 QG2 ILE 15 - QD1 LEU 55 far 0 95 0 - 9.8-10.7 Violated in 1 structures by 0.00 A. Peak 9273 from cnoeabs.peaks (0.81, 1.03, 42.07 ppm; 5.59 A): 1 out of 7 assignments used, quality = 0.93: QD2 LEU 57 + HB3 LEU 55 OK 93 93 100 100 2.6-4.2 9272/3.1=94, 9269/3.1=94...(16) QD1 LEU 57 - HB3 LEU 55 far 5 98 5 - 4.5-6.4 QG2 ILE 7 - HB3 LEU 55 far 0 96 0 - 7.8-9.5 QD2 LEU 38 - HB3 LEU 55 far 0 99 0 - 7.8-9.1 QG2 ILE 52 - HB3 LEU 55 far 0 65 0 - 8.3-9.9 QG2 VAL 32 - HB3 LEU 55 far 0 95 0 - 8.6-9.8 QD2 LEU 103 - HB3 LEU 55 far 0 98 0 - 8.8-14.9 Violated in 0 structures by 0.00 A. Peak 9274 from cnoeabs.peaks (6.93, 0.44, 22.30 ppm; 5.15 A): 1 out of 1 assignment used, quality = 0.81: QE PHE 96 + QD1 LEU 55 OK 81 81 100 100 2.7-3.7 9285/2.1=72, ~9284=68...(27) 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 2.4-3.2 9284/2.1=83, 2.4/9256=68...(29) HZ PHE 96 + QD1 LEU 55 OK 45 61 75 99 4.2-5.1 2.2/9274=60, ~9285=40...(17) HZ3 TRP 92 + QD1 LEU 55 OK 35 59 70 85 3.8-5.5 2.5/9276=55, 6.4/9255=30...(9) HE ARG 91 - QD1 LEU 55 far 0 79 0 - 7.6-10.5 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 = 0.96: HE3 TRP 92 + QD1 LEU 55 OK 96 98 100 98 2.9-4.1 4.2/9255=68...(12) H ALA 89 - QD1 LEU 55 far 0 93 0 - 7.9-8.7 H ARG 91 - QD1 LEU 55 far 0 84 0 - 7.9-8.7 HE22 GLN 72 - QD1 LEU 55 far 0 100 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 9277 from cnoeabs.peaks (8.20, 0.44, 22.30 ppm; 5.55 A): 1 out of 4 assignments used, quality = 0.99: H PHE 96 + QD1 LEU 55 OK 99 99 100 100 5.0-5.2 10045=98, 10044/2.1=96...(9) H SER 97 - QD1 LEU 55 far 0 97 0 - 6.2-6.7 H GLU 104 - QD1 LEU 55 far 0 97 0 - 7.7-15.9 H LYS 68 - QD1 LEU 55 far 0 96 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 9278 from cnoeabs.peaks (8.39, 0.44, 22.30 ppm; 5.86 A): 2 out of 4 assignments used, quality = 0.97: H ILE 93 + QD1 LEU 55 OK 84 84 100 100 5.3-6.0 ~9262=77, 10005/2.1=75...(6) H THR 80 + QD1 LEU 55 OK 82 82 100 100 4.4-4.9 2.9/9258=91, 4.6/9252=83...(12) H GLU 95 - QD1 LEU 55 far 0 79 0 - 6.3-6.8 H TYR 4 - QD1 LEU 55 far 0 79 0 - 6.4-7.0 Violated in 0 structures by 0.00 A. Peak 9279 from cnoeabs.peaks (8.52, 0.44, 22.30 ppm; 4.65 A): 1 out of 3 assignments used, quality = 0.88: H ARG 79 + QD1 LEU 55 OK 88 88 100 100 3.1-4.4 9692=84, 4.1/9252=65...(13) H VAL 54 - QD1 LEU 55 far 0 73 0 - 5.2-6.5 H VAL 58 - QD1 LEU 55 far 0 92 0 - 6.1-6.6 Violated in 0 structures by 0.00 A. Peak 9280 from cnoeabs.peaks (8.76, 0.44, 22.30 ppm; 4.57 A): 1 out of 2 assignments used, quality = 1.00: H ARG 81 + QD1 LEU 55 OK 100 100 100 100 3.7-4.4 7311/9258=64...(16) H LYS 82 - QD1 LEU 55 far 0 65 0 - 6.4-6.9 Violated in 0 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 4.9-5.5 9349=99, 9348/2.1=98...(11) H VAL 5 - QD1 LEU 55 far 0 100 0 - 7.1-7.5 H ASP 77 - QD1 LEU 55 far 0 71 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 9282 from cnoeabs.peaks (8.35, 0.51, 26.14 ppm; 4.83 A): 1 out of 3 assignments used, quality = 0.99: H ILE 93 + QD2 LEU 55 OK 99 99 100 100 3.4-4.0 10005=97, 3.0/9262=85...(11) H GLU 95 - QD2 LEU 55 far 15 100 15 - 4.8-5.8 H TYR 4 - QD2 LEU 55 far 0 100 0 - 5.9-6.4 Violated in 0 structures by 0.00 A. Peak 9283 from cnoeabs.peaks (8.21, 0.51, 26.14 ppm; 4.48 A): 1 out of 4 assignments used, quality = 1.00: H PHE 96 + QD2 LEU 55 OK 100 100 100 100 3.7-4.2 10044=99, 7558/9263=66...(12) H SER 97 - QD2 LEU 55 far 5 100 5 - 4.7-5.3 H LEU 27 - QD2 LEU 55 far 0 82 0 - 8.3-9.0 H GLU 104 - QD2 LEU 55 far 0 100 0 - 9.2-15.5 Violated in 0 structures by 0.00 A. Peak 9284 from cnoeabs.peaks (7.03, 0.51, 26.14 ppm; 4.09 A): 1 out of 4 assignments used, quality = 1.00: QD PHE 96 + QD2 LEU 55 OK 100 100 100 100 2.9-3.3 2.4/9263=70...(27) HZ3 TRP 92 - QD2 LEU 55 far 0 71 0 - 4.6-6.5 HZ PHE 96 - QD2 LEU 55 far 0 73 0 - 5.1-5.4 HE ARG 91 - QD2 LEU 55 far 0 68 0 - 7.7-10.0 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 4.1-4.4 2.2/9284=97, 9274/2.1=84...(22) Violated in 0 structures by 0.00 A. Peak 9286 from cnoeabs.peaks (6.96, 1.03, 42.07 ppm; 5.79 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 96 + HB3 LEU 55 OK 100 100 100 100 2.8-4.5 10669/3.0=92...(20) Violated in 0 structures by 0.00 A. Peak 9287 from cnoeabs.peaks (7.03, 1.03, 42.07 ppm; 5.43 A): 2 out of 3 assignments used, quality = 1.00: QD PHE 96 + HB3 LEU 55 OK 100 100 100 100 2.9-4.3 9284/3.1=88, 2.2/9286=70...(25) HZ PHE 96 + HB3 LEU 55 OK 73 73 100 100 3.3-5.2 2.2/9286=70, ~10669=61...(12) HZ3 TRP 92 - HB3 LEU 55 far 0 71 0 - 7.3-9.9 Violated in 0 structures by 0.00 A. Peak 9288 from cnoeabs.peaks (9.32, 1.03, 42.07 ppm; 6.32 A): 1 out of 1 assignment used, quality = 0.99: H LEU 6 + HB3 LEU 55 OK 99 99 100 100 3.5-5.2 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 3.1-4.1 9284/3.1=88...(26) HZ PHE 96 + HB2 LEU 55 OK 61 61 100 100 3.5-4.9 2.2/9290=64, ~10669=61...(13) HZ3 TRP 92 - HB2 LEU 55 far 0 59 0 - 6.9-9.9 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 3.0-4.2 10669/3.0=95...(22) 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 2.2-2.7 10293=99, 3.2/9729=66...(22) 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 3.6-4.0 10921=96, 7311/10293=84...(10) H ILE 8 - HB ILE 56 far 0 85 0 - 7.3-7.5 H SER 59 - HB ILE 56 far 0 85 0 - 8.7-9.2 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 4.7-4.8 6915/3.8=89...(8) HA ARG 79 - HB ILE 56 far 0 59 0 - 5.6-6.2 HA LYS 82 - HB ILE 56 far 0 81 0 - 7.4-7.8 Violated in 0 structures by 0.00 A. Peak 9305 from cnoeabs.peaks (4.70, 0.60, 16.63 ppm; 5.77 A increased from 5.43 A): 2 out of 3 assignments used, quality = 0.85: HA LEU 55 + QG2 ILE 56 OK 80 81 100 99 5.5-5.5 6915/4.0=76, 9304/2.1=62...(9) HA LYS 82 + QG2 ILE 56 OK 23 100 25 93 6.0-6.3 9740/9735=64...(5) HA ARG 79 - QG2 ILE 56 far 0 97 0 - 6.7-7.2 Violated in 0 structures by 0.00 A. Peak 9306 from cnoeabs.peaks (5.12, 0.60, 16.63 ppm; 5.27 A): 1 out of 3 assignments used, quality = 0.97: HA ILE 7 + QG2 ILE 56 OK 97 98 100 100 4.3-4.6 9332/6932=88...(8) HA VAL 5 - QG2 ILE 56 far 0 98 0 - 6.1-6.2 HA TYR 4 - QG2 ILE 56 far 0 85 0 - 9.5-9.7 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 3.5-4.0 10293/2.1=87...(21) 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 5.1-5.3 3.0/10672=93...(16) 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 3.9-4.1 4.6/6932=65, 3.6/9350=49...(11) H ALA 67 + QG2 ILE 56 OK 71 71 100 100 4.5-4.7 2.9/9528=86, ~10783=54...(18) H VAL 32 - QG2 ILE 56 far 0 71 0 - 6.0-6.4 H ARG 79 - QG2 ILE 56 far 0 97 0 - 6.1-6.6 H VAL 54 - QG2 ILE 56 far 0 88 0 - 7.7-8.2 H THR 31 - QG2 ILE 56 far 0 95 0 - 8.4-8.8 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 3.8-4.5 9735=95, 10921/2.1=82...(12) H ILE 8 + QG2 ILE 56 OK 85 85 100 99 4.5-4.7 9331/6932=67...(10) H SER 59 - QG2 ILE 56 far 0 85 0 - 6.2-6.3 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 4.5-4.6 8232=96, 8216/3.2=79...(11) H LYS 33 - QG2 ILE 56 far 0 99 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 9312 from cnoeabs.peaks (8.47, 0.71, 27.60 ppm; 6.18 A): 1 out of 6 assignments used, quality = 0.76: H ARG 79 + HG13 ILE 56 OK 76 81 100 94 5.7-6.3 9697/2585=57...(6) H ILE 7 - HG13 ILE 56 far 0 98 0 - 6.6-6.8 H VAL 54 - HG13 ILE 56 far 0 93 0 - 6.6-7.4 H ALA 67 - HG13 ILE 56 far 0 99 0 - 7.3-7.6 H VAL 32 - HG13 ILE 56 far 0 99 0 - 7.9-8.3 H THR 31 - HG13 ILE 56 far 0 85 0 - 9.4-10.1 Violated in 4 structures by 0.01 A. Peak 9313 from cnoeabs.peaks (9.30, 0.71, 27.60 ppm; 5.30 A): 1 out of 1 assignment used, quality = 0.98: H LEU 6 + HG13 ILE 56 OK 98 98 100 100 4.1-4.5 8216/3.9=78, 8232/3.2=73...(10) Violated in 0 structures by 0.00 A. Peak 9314 from cnoeabs.peaks (9.30, 0.71, 13.82 ppm; 5.86 A increased from 5.52 A): 2 out of 4 assignments used, quality = 1.00: H LEU 6 + QD1 ILE 56 OK 98 98 100 100 5.3-5.7 9313/2.1=89, 8232/3.0=85...(5) H LYS 33 + QD1 ILE 8 OK 96 98 100 99 5.2-5.9 4.4/12200=81...(8) H LEU 6 - QD1 ILE 8 far 9 94 10 - 6.1-6.5 H LYS 33 - QD1 ILE 56 far 0 100 0 - 9.2-9.9 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 5.1-5.5 3.2/10675=80...(21) Violated in 0 structures by 0.00 A. Peak 9316 from cnoeabs.peaks (4.67, 0.71, 27.60 ppm; 6.13 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 55 + HG13 ILE 56 OK 100 100 100 100 5.1-5.4 6915/2585=90...(10) HA LYS 82 - HG13 ILE 56 far 0 79 0 - 9.9-10.2 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 3.8-4.0 6915/6924=97...(11) 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 4.3-4.6 9719=98, 2.1/9328=95...(21) HA LEU 42 - HB ILE 56 far 0 70 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 9322 from cnoeabs.peaks (3.84, 0.60, 16.63 ppm; 5.33 A): 3 out of 4 assignments used, quality = 0.99: HA ALA 67 + QG2 ILE 56 OK 97 97 100 100 3.4-3.7 2.1/9528=94, ~10783=75...(13) HA LYS 68 + QG2 ILE 56 OK 64 70 100 92 5.1-5.4 4.9/9528=68...(5) HA LEU 38 + QG2 ILE 56 OK 51 70 95 78 5.1-5.6 3.8/10674=59...(4) HA ALA 71 - QG2 ILE 56 far 0 100 0 - 7.2-7.6 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 4.5-5.2 2.1/9327=100...(19) Violated in 0 structures by 0.00 A. Peak 9324 from cnoeabs.peaks (2.57, 0.60, 16.63 ppm; 5.57 A): 1 out of 2 assignments used, quality = 0.84: HB VAL 58 + QG2 ILE 56 OK 84 85 100 98 4.7-4.9 8301/10673=63...(10) HG3 GLN 72 - QG2 ILE 56 far 0 65 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 9325 from cnoeabs.peaks (1.33, 0.60, 16.63 ppm; 3.27 A): 2 out of 11 assignments used, quality = 1.00: QB ALA 67 + QG2 ILE 56 OK 100 100 100 100 1.8-1.9 9528=92, 10783/2.1=49...(23) HG12 ILE 8 + QG2 ILE 56 OK 50 73 85 81 2.9-3.7 2.1/8313=33...(12) HB2 LEU 70 - QG2 ILE 56 far 0 61 0 - 5.9-6.3 HB2 LYS 82 - QG2 ILE 56 far 0 98 0 - 7.0-7.5 HG3 LYS 68 - QG2 ILE 56 far 0 94 0 - 7.3-7.6 QB ALA 89 - QG2 ILE 56 far 0 99 0 - 7.5-7.8 HB3 LEU 42 - QG2 ILE 56 far 0 81 0 - 8.0-8.4 HG2 LYS 39 - QG2 ILE 56 far 0 97 0 - 9.0-9.9 HG2 ARG 30 - QG2 ILE 56 far 0 63 0 - 9.1-9.6 HG3 LYS 40 - QG2 ILE 56 far 0 81 0 - 9.3-10.9 HG LEU 14 - QG2 ILE 56 far 0 93 0 - 9.7-10.2 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 3.2-3.4 1.8/10672=87, 8235=84...(15) HB2 LEU 57 - QG2 ILE 56 far 0 70 0 - 5.3-5.5 QG2 THR 31 - QG2 ILE 56 far 0 91 0 - 7.2-7.5 HG3 LYS 82 - QG2 ILE 56 far 0 87 0 - 8.0-8.5 QG2 THR 34 - QG2 ILE 56 far 0 98 0 - 8.7-9.2 HB2 LEU 29 - QG2 ILE 56 far 0 100 0 - 9.4-9.9 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 2.2-2.7 9734=97, 9729/2.1=68...(24) HG LEU 55 - QG2 ILE 56 far 0 100 0 - 5.4-5.9 QG2 VAL 83 - QG2 ILE 56 far 0 100 0 - 5.8-6.1 HB2 ARG 81 - QG2 ILE 56 far 0 68 0 - 6.8-7.6 QG2 VAL 5 - QG2 ILE 56 far 0 91 0 - 6.8-7.0 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 1.9-2.1 9729=76, 9327/2.1=68...(21) HG LEU 55 - HB ILE 56 far 0 99 0 - 5.4-5.7 HB2 ARG 81 - HB ILE 56 far 0 88 0 - 6.8-7.7 QG2 VAL 83 - HB ILE 56 far 0 99 0 - 7.3-7.6 QG2 VAL 5 - HB ILE 56 far 0 99 0 - 7.6-7.9 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 2.7-3.1 9528/2.1=98, 10783=95...(19) HG12 ILE 8 - HB ILE 56 far 0 92 0 - 5.9-6.9 HB2 LEU 70 - HB ILE 56 far 0 84 0 - 7.8-8.3 HG3 LYS 68 - HB ILE 56 far 0 100 0 - 8.0-8.3 HB2 LYS 82 - HB ILE 56 far 0 100 0 - 8.4-8.9 QB ALA 89 - HB ILE 56 far 0 100 0 - 9.2-9.7 HB3 ARG 30 - HB ILE 56 far 0 81 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 9334 from cnoeabs.peaks (8.75, 5.39, 52.09 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: H ARG 81 + HA LEU 57 OK 100 100 100 100 2.8-3.2 11122=99, 10926/6945=69...(17) H LYS 82 - HA LEU 57 far 0 71 0 - 5.3-5.6 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 1 assignment used, quality = 0.99: H VAL 83 + HA LEU 57 OK 99 99 100 100 4.4-5.1 9773=98, 9771/6945=96...(9) Violated in 0 structures by 0.00 A. Peak 9336 from cnoeabs.peaks (8.79, 1.20, 42.45 ppm; 5.64 A): 2 out of 3 assignments used, quality = 1.00: H ILE 8 + HB2 LEU 57 OK 100 100 100 100 4.0-4.2 8289/1.8=99, 8288=99...(10) H ARG 81 + HB2 LEU 57 OK 68 70 100 98 5.4-5.7 11122/2.9=59, 9737=52...(9) H SER 59 - HB2 LEU 57 far 0 100 0 - 6.4-6.5 Violated in 0 structures by 0.00 A. Peak 9337 from cnoeabs.peaks (8.78, 1.82, 42.45 ppm; 5.17 A): 1 out of 4 assignments used, quality = 0.93: H ILE 8 + HB3 LEU 57 OK 93 93 100 100 3.5-4.1 8289=90, 8288/1.8=84...(13) H ARG 81 - HB3 LEU 57 far 0 92 0 - 5.5-6.0 H SER 59 - HB3 LEU 57 far 0 93 0 - 7.3-7.5 H ALA 22 - HB3 LEU 57 far 0 63 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 9338 from cnoeabs.peaks (8.76, 0.83, 23.91 ppm; 4.37 A increased from 4.11 A): 2 out of 4 assignments used, quality = 1.00: H ARG 81 + QD1 LEU 57 OK 100 100 100 100 3.3-4.3 11122/2642=73...(15) H LYS 82 + QD1 LEU 57 OK 32 59 60 89 4.5-4.8 4.5/9801=36, 4.3/9744=27...(10) H ILE 8 - QD1 LEU 57 far 0 63 0 - 5.5-5.6 H SER 59 - QD1 LEU 57 far 0 63 0 - 6.6-6.8 Violated in 0 structures by 0.00 A. Peak 9339 from cnoeabs.peaks (9.20, 0.83, 23.91 ppm; 5.86 A increased from 5.52 A): 2 out of 3 assignments used, quality = 0.97: H THR 84 + QD1 LEU 57 OK 94 100 95 99 5.6-6.3 7362/9808=75...(5) H ILE 56 + QD1 LEU 57 OK 44 98 45 100 5.0-6.2 10667/2.1=94...(4) H GLU 35 - QD2 LEU 70 far 2 42 5 - 5.9-7.0 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 100 100 100 100 3.5-3.7 4.5/6940=84...(12) H ILE 56 + QD1 LEU 6 OK 63 67 100 95 5.1-5.5 11108/4.6=66, ~8223=53...(6) H GLU 35 + QD1 LEU 70 OK 50 50 100 100 5.0-5.5 3.0/10609=96...(9) H ILE 56 + QD2 LEU 38 OK 26 63 75 55 5.7-6.1 9318/9526=32...(3) H GLU 35 - QD2 LEU 38 far 0 53 0 - 6.1-6.7 H THR 84 - QD2 LEU 57 far 0 100 0 - 7.9-8.7 H ILE 56 - QD1 LEU 70 far 0 60 0 - 8.7-9.8 H GLU 35 - QD1 LEU 6 far 0 56 0 - 9.0-9.5 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 5 assignments used, quality = 0.95: H ALA 89 + QD1 LEU 57 OK 93 99 95 100 3.7-4.7 9926=77, 3.0/10698=68...(15) HE3 TRP 92 + QD1 LEU 57 OK 25 100 25 99 4.3-5.1 9343/2.1=51, 4.2/9357=50...(14) H ARG 91 - QD1 LEU 57 far 0 70 0 - 5.7-6.4 HE22 GLN 72 - QD2 LEU 70 far 0 58 0 - 7.6-9.5 HE ARG 46 - QD2 LEU 70 far 0 34 0 - 8.8-11.0 Violated in 0 structures by 0.00 A. Peak 9342 from cnoeabs.peaks (6.86, 0.83, 23.91 ppm; 4.18 A): 1 out of 5 assignments used, quality = 0.96: HD1 TRP 92 + QD1 LEU 57 OK 96 96 100 100 2.2-2.7 9796/9808=56...(18) QD TYR 41 - QD2 LEU 70 far 0 42 0 - 7.9-8.7 QE TYR 41 - QD2 LEU 70 far 0 58 0 - 8.7-9.8 HE21 GLN 72 - QD2 LEU 70 far 0 58 0 - 8.9-10.4 HD21 ASN 60 - QD1 LEU 57 far 0 95 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 9343 from cnoeabs.peaks (7.43, 0.80, 25.48 ppm; 5.25 A): 1 out of 11 assignments used, quality = 0.98: HE3 TRP 92 + QD2 LEU 57 OK 98 100 100 98 4.0-5.3 9997=47, 9276/9272=44...(12) H ALA 89 - QD2 LEU 57 far 0 99 0 - 6.3-6.7 HE22 GLN 72 - QD1 LEU 70 far 0 60 0 - 7.4-9.2 H ARG 91 - QD2 LEU 57 far 0 70 0 - 7.4-8.1 HE ARG 19 - QD1 LEU 6 far 0 61 0 - 8.7-12.7 H LYS 47 - QD1 LEU 6 far 0 37 0 - 8.8-9.2 HE ARG 46 - QD1 LEU 6 far 0 40 0 - 9.1-11.6 HE ARG 19 - QD2 LEU 38 far 0 57 0 - 9.1-13.0 HE ARG 19 - QD2 LEU 57 far 0 96 0 - 9.8-13.0 HE22 GLN 72 - QD2 LEU 38 far 0 64 0 - 9.8-11.5 HE ARG 46 - QD1 LEU 70 far 0 35 0 - 9.9-12.3 Violated in 1 structures by 0.00 A. Peak 9344 from cnoeabs.peaks (5.12, 1.82, 42.45 ppm; 4.54 A): 1 out of 3 assignments used, quality = 1.00: HA ILE 7 + HB3 LEU 57 OK 100 100 100 100 2.2-2.8 8272=99, 8271/1.8=85...(15) HA VAL 5 - HB3 LEU 57 far 0 94 0 - 6.0-6.6 HA VAL 54 - HB3 LEU 57 far 0 68 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 9345 from cnoeabs.peaks (5.12, 1.20, 42.45 ppm; 4.78 A): 1 out of 3 assignments used, quality = 1.00: HA ILE 7 + HB2 LEU 57 OK 100 100 100 100 3.6-3.9 8271=99, 8272/1.8=94...(13) HA VAL 5 - HB2 LEU 57 far 0 94 0 - 7.7-8.3 HA SER 85 - HB2 LEU 57 far 0 98 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 9346 from cnoeabs.peaks (5.11, 0.83, 23.91 ppm; 6.50 A): 1 out of 4 assignments used, quality = 0.85: HA ILE 7 + QD1 LEU 57 OK 85 85 100 100 5.0-5.2 10687/2.1=90...(8) HA VAL 5 - QD1 LEU 57 far 5 100 5 - 6.2-7.5 HA SER 85 - QD1 LEU 57 far 0 77 0 - 7.4-8.3 HA TYR 4 - QD1 LEU 57 far 0 63 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 9350 from cnoeabs.peaks (0.62, 5.39, 52.09 ppm; 4.92 A): 1 out of 5 assignments used, quality = 0.88: QG2 ILE 56 + HA LEU 57 OK 88 88 100 100 3.8-4.1 6932/3.0=80...(12) QD1 ILE 7 - HA LEU 57 far 0 100 0 - 6.1-6.6 QD1 LEU 29 - HA LEU 57 far 0 75 0 - 7.6-8.2 QD2 LEU 29 - HA LEU 57 far 0 92 0 - 8.9-9.9 QG2 VAL 54 - HA LEU 57 far 0 73 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 9351 from cnoeabs.peaks (0.44, 5.39, 52.09 ppm; 5.76 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 55 + HA LEU 57 OK 100 100 100 100 4.4-5.1 9272/4.0=93...(11) HG2 ARG 81 + HA LEU 57 OK 93 99 95 99 4.9-6.2 2.9/12132=83...(5) Violated in 0 structures by 0.00 A. Peak 9352 from cnoeabs.peaks (0.97, 5.39, 52.09 ppm; 4.17 A): 3 out of 5 assignments used, quality = 1.00: QG2 VAL 83 + HA LEU 57 OK 99 99 100 100 3.3-3.6 9819/2.9=73, 9783=61...(16) QG2 THR 80 + HA LEU 57 OK 77 100 80 97 4.2-4.6 7313/11122=64...(8) QG1 VAL 83 + HA LEU 57 OK 63 63 100 100 3.6-4.4 2.1/9783=56, ~9819=43...(17) HG LEU 55 - HA LEU 57 far 0 99 0 - 4.5-4.7 QG2 VAL 5 - HA LEU 57 far 0 82 0 - 7.1-7.7 Violated in 0 structures by 0.00 A. Peak 9353 from cnoeabs.peaks (0.61, 1.20, 42.45 ppm; 4.61 A): 1 out of 3 assignments used, quality = 0.98: QD1 ILE 7 + HB2 LEU 57 OK 98 98 100 100 4.2-4.5 8287/1.8=79, ~8284=58...(13) QG2 ILE 56 - HB2 LEU 57 far 0 99 0 - 5.3-5.5 QD2 LEU 29 - HB2 LEU 57 far 0 68 0 - 7.6-8.6 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 2.1-2.3 9819=100, 2.1/9809=72...(21) HG LEU 55 - HB2 LEU 57 far 0 100 0 - 5.2-5.5 HB2 ARG 81 - HB2 LEU 57 far 0 79 0 - 5.6-7.0 QG2 THR 80 - HB2 LEU 57 far 0 93 0 - 6.4-6.8 QG2 VAL 5 - HB2 LEU 57 far 0 96 0 - 7.0-7.4 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 4.0-4.5 8287=99, 2.1/8284=76...(14) QG2 ILE 56 + HB3 LEU 57 OK 88 97 95 96 4.7-4.9 6932/6938=72...(7) QD2 LEU 29 - HB3 LEU 57 far 0 79 0 - 6.5-7.5 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 3.6-3.7 9819/1.8=91, 9817/3.0=59...(23) HG LEU 55 + HB3 LEU 57 OK 95 100 95 100 4.0-5.1 9364/3.1=47...(18) QG2 VAL 5 - HB3 LEU 57 far 0 91 0 - 5.9-6.2 QG2 THR 80 - HB3 LEU 57 far 0 98 0 - 6.4-6.6 HB2 ARG 81 - HB3 LEU 57 far 0 68 0 - 6.4-7.5 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 2.6-3.0 1.8/9358=71, 3.9/9342=48...(16) HB2 PHE 96 - QD1 LEU 57 far 0 100 0 - 6.7-7.8 HD3 ARG 79 - QD1 LEU 57 far 0 84 0 - 7.4-9.7 HD2 ARG 79 - QD1 LEU 57 far 0 81 0 - 8.3-9.6 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 2.8-3.3 1.8/9357=81, 3.9/9342=52...(18) HD3 ARG 46 - QD2 LEU 70 far 0 58 0 - 7.6-9.7 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 3.6-4.1 ~9358=85, 9357/2.1=78...(13) HB2 PHE 96 + QD2 LEU 57 OK 56 88 80 79 5.6-6.6 10048/9269=54...(4) HD3 ARG 30 - QD1 LEU 6 poor 12 35 35 - 5.6-7.0 HD3 ARG 30 - QD2 LEU 38 far 0 32 0 - 6.8-8.9 HB2 PHE 96 - QD1 LEU 6 far 0 54 0 - 9.9-10.7 HD3 ARG 30 - QD2 LEU 57 far 0 61 0 - 10.0-12.5 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 = 0.83: HA ILE 93 + QD2 LEU 57 OK 83 99 100 84 4.5-5.6 10009/9269=80, 4325/9359=19 HA ILE 93 - QD1 LEU 6 far 0 64 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 9361 from cnoeabs.peaks (2.10, 5.39, 52.09 ppm; 6.50 A increased from 5.98 A): 1 out of 3 assignments used, quality = 0.96: HB VAL 83 + HA LEU 57 OK 96 96 100 100 6.2-6.5 2.1/9797=100...(11) HB3 GLU 88 - HA LEU 57 far 0 93 0 - 7.6-8.3 HB2 LEU 64 - HA LEU 57 far 0 96 0 - 7.7-8.3 Violated in 0 structures by 0.00 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 4.9-5.0 2.1/9819=100...(18) HB3 GLU 88 - HB2 LEU 57 far 0 93 0 - 6.5-7.3 HB2 PRO 86 - HB2 LEU 57 far 0 88 0 - 9.1-9.9 HB2 LEU 64 - HB2 LEU 57 far 0 96 0 - 9.7-10.1 HB3 PRO 86 - HB2 LEU 57 far 0 99 0 - 9.8-10.4 QE MET 21 - HB2 LEU 57 far 0 100 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 9363 from cnoeabs.peaks (0.98, 0.83, 23.91 ppm; 2.90 A): 2 out of 6 assignments used, quality = 0.98: QG2 VAL 83 + QD1 LEU 57 OK 94 96 100 98 1.7-2.6 2.1/9808=45, 9819/3.1=33...(23) QG1 VAL 83 + QD1 LEU 57 OK 74 75 100 98 1.8-1.9 9808=46, 2.1/9804=26...(25) HG LEU 55 - QD1 LEU 57 far 5 96 5 - 2.6-4.3 QG2 THR 80 - QD1 LEU 57 far 0 100 0 - 5.1-6.0 QG2 VAL 5 - QD1 LEU 57 far 0 71 0 - 5.2-6.3 QG2 THR 80 - QD2 LEU 70 far 0 58 0 - 7.4-8.0 Violated in 0 structures by 0.00 A. Peak 9364 from cnoeabs.peaks (0.96, 0.80, 25.48 ppm; 3.30 A): 2 out of 14 assignments used, quality = 0.99: HG LEU 55 + QD2 LEU 57 OK 99 100 100 99 1.8-1.8 2.1/9269=66, 2.1/9272=45...(19) HB2 ARG 81 + QD2 LEU 57 OK 58 79 95 77 3.1-5.3 2.9/10213=17...(15) QG2 VAL 5 - QD2 LEU 57 far 5 96 5 - 3.4-4.9 QG2 VAL 83 - QD2 LEU 57 far 0 100 0 - 3.6-4.3 QG2 THR 80 - QD2 LEU 57 far 0 93 0 - 4.2-5.2 QG2 THR 80 - QD2 LEU 38 far 0 55 0 - 4.6-5.1 QG2 THR 80 - QD1 LEU 70 far 0 52 0 - 5.6-6.4 QG2 THR 80 - QD1 LEU 6 far 0 58 0 - 5.6-6.1 QG2 VAL 5 - QD1 LEU 6 far 0 62 0 - 6.0-6.3 HG LEU 55 - QD1 LEU 6 far 0 68 0 - 6.9-7.4 QG2 VAL 5 - QD2 LEU 38 far 0 58 0 - 7.5-7.9 HG LEU 55 - QD2 LEU 38 far 0 64 0 - 7.6-8.1 QG2 VAL 83 - QD2 LEU 38 far 0 64 0 - 7.8-8.1 QG2 VAL 83 - QD1 LEU 6 far 0 68 0 - 8.8-9.0 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 3.3-3.8 9817=79, 9819/3.0=71...(18) HG LEU 55 + HG LEU 57 OK 100 100 100 100 3.1-4.2 2.1/9268=64, ~9272=56...(16) QG2 VAL 5 - HG LEU 57 far 0 91 0 - 5.3-5.6 HB2 ARG 81 - HG LEU 57 far 0 68 0 - 5.3-6.4 QG2 THR 80 - HG LEU 57 far 0 98 0 - 7.0-7.5 QG2 VAL 5 - HG3 ARG 30 far 0 43 0 - 7.1-8.7 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 = 0.89: QG2 VAL 83 + HA VAL 58 OK 89 92 100 97 4.0-4.2 9788/3.0=70...(6) QG2 THR 80 - HA VAL 58 far 0 63 0 - 5.6-6.2 QG1 VAL 32 - HA VAL 58 far 0 63 0 - 6.7-7.2 HB2 ARG 81 - HA VAL 58 far 0 99 0 - 7.9-9.3 HG LEU 55 - HA VAL 58 far 0 91 0 - 8.5-8.7 QG2 VAL 5 - HA VAL 58 far 0 100 0 - 10.0-10.3 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 3 assignments used, quality = 1.00: HB2 LEU 57 + HA VAL 58 OK 100 100 100 100 4.4-4.6 6946/3.0=93...(15) QB ALA 18 - HA VAL 58 far 0 79 0 - 7.6-8.0 HB2 LEU 6 - HA VAL 58 far 0 93 0 - 8.0-8.2 Violated in 0 structures by 0.00 A. Peak 9369 from cnoeabs.peaks (1.36, 5.25, 58.24 ppm; 4.84 A): 1 out of 5 assignments used, quality = 1.00: HG12 ILE 8 + HA VAL 58 OK 100 100 100 100 4.2-4.9 2.9/9374=89...(24) QB ALA 67 - HA VAL 58 far 0 87 0 - 5.4-5.7 HB2 LYS 82 - HA VAL 58 far 0 94 0 - 6.8-7.2 QB ALA 89 - HA VAL 58 far 0 90 0 - 6.9-7.3 HG LEU 14 - HA VAL 58 far 0 99 0 - 7.8-8.4 Violated in 1 structures by 0.00 A. Peak 9370 from cnoeabs.peaks (1.49, 5.25, 58.24 ppm; 6.06 A increased from 5.38 A): 1 out of 8 assignments used, quality = 1.00: HB3 LEU 64 + HA VAL 58 OK 100 100 100 100 5.8-5.9 6948/3.0=88, 9379/3.2=88...(15) HG LEU 57 - HA VAL 58 far 0 96 0 - 6.9-7.0 HB ILE 7 - HA VAL 58 far 0 65 0 - 6.9-7.4 HD2 LYS 82 - HA VAL 58 far 0 82 0 - 7.0-8.0 HG LEU 38 - HA VAL 58 far 0 82 0 - 8.0-8.7 HG LEU 64 - HA VAL 58 far 0 100 0 - 8.3-8.5 HB2 LEU 14 - HA VAL 58 far 0 65 0 - 9.0-9.8 HB2 LEU 38 - HA VAL 58 far 0 75 0 - 9.1-10.7 Violated in 0 structures by 0.00 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 3.7-4.0 10700/3.0=86...(26) 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 3 assignments used, quality = 1.00: HB ILE 8 + HA VAL 58 OK 100 100 100 100 2.0-2.4 8300=88, 2.1/10703=57...(23) HB3 LEU 14 - HA VAL 58 far 0 99 0 - 8.3-9.1 HB3 LYS 66 - HA VAL 58 far 0 75 0 - 8.8-9.3 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 2.0-2.3 10233=86, 10225/2.1=74...(28) HG3 ARG 46 - HG3 MET 74 far 0 52 0 - 5.0-7.9 HB2 LYS 39 - HG3 MET 74 far 0 39 0 - 5.7-8.0 HB3 LYS 82 - HB VAL 58 far 0 100 0 - 7.0-7.4 HB ILE 56 - HB VAL 58 far 0 100 0 - 7.0-7.5 HB2 LYS 66 - HB VAL 58 far 0 100 0 - 8.6-9.0 HD2 ARG 81 - HB VAL 58 far 0 59 0 - 9.0-12.0 HB VAL 78 - HG3 MET 74 far 0 59 0 - 9.4-11.7 HB2 LYS 66 - HG3 MET 74 far 0 66 0 - 9.5-12.1 Violated in 0 structures by 0.00 A. Peak 9376 from cnoeabs.peaks (1.48, 2.60, 33.16 ppm; 5.24 A): 2 out of 14 assignments used, quality = 0.97: HB3 LEU 64 + HB VAL 58 OK 96 96 100 100 4.1-4.4 9379/2.1=99, 9383/2.1=95...(17) HG3 LYS 39 + HG3 MET 74 OK 21 39 55 99 4.4-6.7 ~12072=54, 12073/3.4=54...(12) HG2 LYS 73 - HG3 MET 74 poor 19 58 35 91 4.4-6.9 7219/4.8=50, ~12187=29...(9) HG13 ILE 76 - HG3 MET 74 poor 6 32 20 - 5.3-6.1 HD2 LYS 82 - HB VAL 58 far 5 96 5 - 5.4-6.8 HG LEU 64 - HB VAL 58 far 0 100 0 - 6.7-7.1 HB2 LEU 38 - HG3 MET 74 far 0 55 0 - 7.2-11.3 HG LEU 38 - HB VAL 58 far 0 96 0 - 7.5-8.2 HG2 LYS 66 - HB VAL 58 far 0 96 0 - 8.0-9.1 HG LEU 38 - HG3 MET 74 far 0 59 0 - 8.1-11.2 HG3 LYS 66 - HB VAL 58 far 0 94 0 - 8.5-9.3 HB2 LEU 38 - HB VAL 58 far 0 92 0 - 8.8-10.3 HG LEU 57 - HB VAL 58 far 0 84 0 - 8.8-8.9 HG2 LYS 47 - HG3 MET 74 far 0 59 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 9377 from cnoeabs.peaks (1.35, 2.60, 33.16 ppm; 5.33 A): 3 out of 8 assignments used, quality = 0.99: QB ALA 67 + HB VAL 58 OK 93 94 100 99 4.8-5.0 ~9520=60, 9469/10237=60...(10) HG2 LYS 39 + HG3 MET 74 OK 63 63 100 100 3.1-5.3 12072/3.4=74, ~9602=67...(11) HG12 ILE 8 + HB VAL 58 OK 60 99 60 100 5.4-6.1 2.9/10701=84...(19) HB2 LEU 70 - HG3 MET 74 poor 15 61 25 - 4.7-7.7 HB2 LYS 82 - HB VAL 58 far 0 98 0 - 5.9-6.5 QB ALA 67 - HG3 MET 74 far 0 57 0 - 8.2-10.6 QB ALA 89 - HB VAL 58 far 0 96 0 - 8.8-9.1 HG LEU 14 - HB VAL 58 far 0 100 0 - 9.9-10.5 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 3.0-3.5 3.0/10228=59, 9757=54...(18) QB ALA 67 + QG2 VAL 58 OK 48 100 50 97 3.5-4.1 2981/9475=52...(14) HG12 ILE 8 - QG2 VAL 58 far 0 92 0 - 5.8-6.4 QB ALA 89 - QG2 VAL 58 far 0 100 0 - 7.3-7.6 HG3 LYS 68 - QG2 VAL 58 far 0 100 0 - 7.7-8.0 HG LEU 14 - QG2 VAL 58 far 0 100 0 - 8.8-9.3 HB2 LEU 70 - QG2 VAL 58 far 0 84 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 9379 from cnoeabs.peaks (1.47, 0.68, 19.32 ppm; 3.44 A): 1 out of 8 assignments used, quality = 0.91: HB3 LEU 64 + QG2 VAL 58 OK 91 91 100 100 1.8-1.9 1.8/9474=57, 3.0/9475=56...(24) HD2 LYS 82 - QG2 VAL 58 poor 20 99 20 - 3.1-4.0 HG LEU 64 - QG2 VAL 58 far 0 99 0 - 4.0-4.3 HG LEU 57 - QG2 VAL 58 far 0 73 0 - 6.8-7.0 HG2 LYS 66 - QG2 VAL 58 far 0 90 0 - 6.8-7.7 HG LEU 38 - QG2 VAL 58 far 0 99 0 - 7.0-7.7 HG3 LYS 66 - QG2 VAL 58 far 0 87 0 - 7.5-8.2 HB2 LEU 38 - QG2 VAL 58 far 0 97 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 9380 from cnoeabs.peaks (1.77, 0.68, 19.32 ppm; 3.93 A): 1 out of 6 assignments used, quality = 1.00: HB3 GLU 63 + QG2 VAL 58 OK 100 100 100 100 2.5-3.0 10225/2.1=79...(32) HB3 LYS 82 - QG2 VAL 58 far 15 99 15 - 4.1-4.3 HB ILE 56 - QG2 VAL 58 far 0 99 0 - 5.1-5.8 HB2 LYS 66 - QG2 VAL 58 far 0 100 0 - 7.6-7.9 HB2 GLU 88 - QG2 VAL 58 far 0 65 0 - 8.1-8.6 HB VAL 78 - QG2 VAL 58 far 0 100 0 - 8.9-10.0 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 1.9-2.1 1.8/10225=89...(27) HG3 GLU 35 - QG1 VAL 58 far 0 96 0 - 7.4-9.5 HG2 GLU 35 - QG1 VAL 58 far 0 96 0 - 7.7-9.9 Violated in 0 structures by 0.00 A. Peak 9382 from cnoeabs.peaks (2.08, 0.72, 21.78 ppm; 4.75 A): 1 out of 7 assignments used, quality = 0.81: HB2 LEU 64 + QG1 VAL 58 OK 81 81 100 100 4.2-4.6 1.8/9383=92, 3.0/9385=83...(17) HB3 LEU 38 - QG1 VAL 58 far 0 98 0 - 6.0-6.9 HB3 GLU 62 - QG1 VAL 58 far 0 100 0 - 6.9-7.5 HB3 GLU 35 - QG1 VAL 58 far 0 100 0 - 7.4-8.4 HB VAL 83 - QG1 VAL 58 far 0 81 0 - 7.7-7.9 HB3 GLU 88 - QG1 VAL 58 far 0 100 0 - 9.5-10.0 HG3 GLU 37 - QG1 VAL 58 far 0 85 0 - 9.9-11.0 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 10 assignments used, quality = 0.91: HB3 LEU 64 + QG1 VAL 58 OK 91 91 100 100 3.1-3.6 9379/2.1=86, 3.0/9385=67...(18) HG LEU 64 - QG1 VAL 58 far 0 99 0 - 4.7-5.1 HG LEU 38 - QG1 VAL 58 far 0 99 0 - 4.8-5.4 HD2 LYS 82 - QG1 VAL 58 far 0 99 0 - 5.6-6.4 HB2 LEU 38 - QG1 VAL 58 far 0 97 0 - 6.1-7.3 HG2 LYS 66 - QG1 VAL 58 far 0 90 0 - 6.4-7.2 HG LEU 57 - QG1 VAL 58 far 0 73 0 - 6.5-6.6 HG3 LYS 66 - QG1 VAL 58 far 0 87 0 - 6.8-7.3 HG3 LYS 33 - QG1 VAL 58 far 0 68 0 - 8.7-9.6 HG LEU 29 - QG1 VAL 58 far 0 70 0 - 9.4-9.9 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 6 assignments used, quality = 0.96: QB ALA 67 + QG1 VAL 58 OK 94 98 100 96 2.4-2.7 9732/10223=44...(15) HG12 ILE 8 + QG1 VAL 58 OK 30 61 50 98 3.2-3.9 2.9/10224=50...(25) HB2 LYS 82 - QG1 VAL 58 far 0 94 0 - 5.1-5.7 QB ALA 89 - QG1 VAL 58 far 0 97 0 - 7.2-7.5 HG3 LYS 68 - QG1 VAL 58 far 0 87 0 - 7.5-7.7 HG LEU 14 - QG1 VAL 58 far 0 85 0 - 8.9-9.4 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 2.2-2.5 9475/2.1=78, 3.0/9383=49...(21) 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 4.2-4.6 9372/6954=82...(14) HA LEU 55 - QG1 VAL 58 far 0 93 0 - 7.3-7.6 HA ARG 79 - QG1 VAL 58 far 0 88 0 - 8.1-8.8 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 3.9-4.3 9448=82, 9449/9474=69...(11) HA ARG 81 + QG2 VAL 58 OK 56 100 60 93 4.7-5.0 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 2.0-2.6 9475=96, 9385/2.1=63...(21) Violated in 0 structures by 0.00 A. Peak 9389 from cnoeabs.peaks (3.90, 2.60, 33.16 ppm; 5.74 A): 1 out of 8 assignments used, quality = 0.99: HA GLU 63 + HB VAL 58 OK 99 99 100 100 4.4-4.5 3.0/9375=95...(24) HA GLU 43 - HG3 MET 74 poor 10 52 20 - 5.2-7.0 HB3 SER 9 - HB VAL 58 far 0 92 0 - 6.5-8.7 HA LEU 38 - HG3 MET 74 far 0 41 0 - 8.6-11.3 HA GLU 35 - HG3 MET 74 far 0 56 0 - 9.1-12.1 HA GLU 35 - HB VAL 58 far 0 93 0 - 9.1-10.3 HA TYR 41 - HG3 MET 74 far 0 54 0 - 9.5-11.7 HA GLU 44 - HG3 MET 74 far 0 42 0 - 9.8-11.7 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 4.1-5.1 4.0/6958=91, 4.6/9422=70...(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 4.0-4.4 7021/9380=77...(19) H GLU 62 + QG2 VAL 58 OK 74 75 100 98 5.2-5.6 3.6/9448=68, 10740=42...(10) 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 100 100 100 100 2.4-2.8 9467=59, 7040/2.1=57...(20) H ASN 60 + QG2 VAL 58 OK 93 93 100 100 1.9-2.6 9420=72, 9410/2.1=56...(22) H SER 85 - QG2 VAL 58 far 0 88 0 - 7.5-7.8 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 4.3-4.6 3.6/9475=95...(13) H GLU 69 - QG2 VAL 58 far 0 87 0 - 7.4-7.9 H LEU 70 - QG2 VAL 58 far 0 70 0 - 8.8-9.3 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 4.4-4.6 4.0/9375=90...(13) Violated in 0 structures by 0.00 A. Peak 9404 from cnoeabs.peaks (4.44, 4.16, 65.60 ppm; 5.46 A): 1 out of 2 assignments used, quality = 0.96: HA SER 9 + HB2 SER 59 OK 96 98 100 98 3.8-5.5 9405/1.8=91...(4) HB THR 84 - HB2 SER 59 poor 18 100 30 60 5.1-6.8 ~9843=53, 9835/9408=12 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 = 0.91: HA SER 9 + HB3 SER 59 OK 91 100 100 91 3.6-4.8 9404/1.8=56...(5) HB THR 84 - HB3 SER 59 far 0 100 0 - 5.6-6.7 Violated in 0 structures by 0.00 A. Peak 9406 from cnoeabs.peaks (0.96, 4.04, 65.60 ppm; 5.82 A): 1 out of 3 assignments used, quality = 1.00: QG2 VAL 83 + HB3 SER 59 OK 100 100 100 100 3.6-5.2 9828=94, 10728/3.0=85...(10) QG2 THR 80 - HB3 SER 59 far 0 93 0 - 8.9-9.6 HB2 ARG 81 - HB3 SER 59 far 0 79 0 - 9.7-11.5 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 3.8-5.5 9828/1.8=94, 9784/3.0=84...(7) QG2 THR 80 - HB2 SER 59 far 0 85 0 - 8.9-10.1 HB2 ARG 81 - HB2 SER 59 far 0 88 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 9408 from cnoeabs.peaks (0.69, 4.16, 65.60 ppm; 5.11 A): 3 out of 5 assignments used, quality = 1.00: QG2 VAL 58 + HB2 SER 59 OK 99 99 100 100 4.7-5.1 6960/6963=78...(8) QD2 LEU 14 + HB2 SER 59 OK 65 88 100 74 3.9-5.4 8317/9404=38...(4) QD1 LEU 14 + HB2 SER 59 OK 59 99 90 66 4.0-5.6 10402/9407=41, ~9409=24...(4) QG1 VAL 58 - HB2 SER 59 far 0 68 0 - 5.7-6.8 QD1 ILE 8 - HB2 SER 59 far 0 87 0 - 6.7-8.1 Violated in 0 structures by 0.00 A. Peak 9409 from cnoeabs.peaks (0.70, 4.04, 65.60 ppm; 4.94 A): 3 out of 8 assignments used, quality = 0.99: QD2 LEU 14 + HB3 SER 59 OK 87 100 95 91 3.6-5.3 8317/9405=53...(5) QG2 VAL 58 + HB3 SER 59 OK 80 81 100 100 4.6-5.1 10726/3.0=83...(8) QD1 LEU 14 + HB3 SER 59 OK 51 84 90 67 3.6-5.3 10402/9828=41...(4) QG1 VAL 58 - HB3 SER 59 far 0 95 0 - 5.7-6.2 QD1 ILE 8 - HB3 SER 59 far 0 100 0 - 6.6-7.6 QD1 LEU 64 - HB3 SER 59 far 0 61 0 - 8.0-8.5 HG3 ARG 81 - HB3 SER 59 far 0 65 0 - 8.2-13.4 QG1 VAL 5 - HB3 SER 59 far 0 88 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 9423 from cnoeabs.peaks (2.52, 2.89, 40.34 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: HG3 GLU 63 + HB2 ASN 60 OK 100 100 100 100 2.0-2.9 1.8/10234=75...(8) HB2 ASP 61 - HB2 ASN 60 far 0 100 0 - 5.6-6.2 Violated in 0 structures by 0.00 A. Peak 9424 from cnoeabs.peaks (2.50, 3.06, 40.34 ppm; 4.70 A): 1 out of 2 assignments used, quality = 0.98: HG3 GLU 63 + HB3 ASN 60 OK 98 98 100 99 3.6-4.5 9423/1.8=79, ~10234=66...(6) HB2 ASP 61 - HB3 ASN 60 far 0 100 0 - 5.3-6.0 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 3.3-3.5 9453=99, 9454/1.8=92...(6) H GLU 63 + HB2 ASN 60 OK 93 93 100 100 2.3-2.4 9435/4.0=61, 9439/3.5=60...(10) 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 3.4-3.5 9454=100, 9453/1.8=83 H GLU 63 + HB3 ASN 60 OK 93 94 100 99 3.6-3.9 9435/4.0=58, 9439/3.5=57...(7) 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 3.6-3.7 9470=100, 7037/9481=57...(14) H ASN 60 - HA ASP 61 far 0 99 0 - 5.0-5.2 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 = 0.97: HD2 LYS 82 + HA ASP 61 OK 94 98 100 97 2.4-3.2 9766=39, 1.8/9767=34...(14) HB3 LEU 64 + HA ASP 61 OK 56 94 60 99 3.8-4.0 1.8/9449=75, 9481=68...(16) HG LEU 64 - HA ASP 61 far 0 99 0 - 5.1-5.5 HG2 LYS 66 - HA ASP 61 far 0 93 0 - 7.7-8.4 HG3 LYS 66 - HA ASP 61 far 0 91 0 - 9.0-9.6 Violated in 0 structures by 0.00 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 4.3-5.0 3.5/9766=70...(9) QB ALA 67 - HA ASP 61 far 0 100 0 - 7.0-7.3 HG3 LYS 68 - HA ASP 61 far 0 96 0 - 9.2-9.7 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 2 assignments used, quality = 0.95: QD2 LEU 64 + HA ASP 61 OK 95 95 100 100 2.9-3.3 3.1/9449=76, 3.1/9481=68...(15) QD1 LEU 57 - HA ASP 61 far 0 94 0 - 9.3-9.8 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 = 1.00: QG2 VAL 58 + HA ASP 61 OK 100 100 100 100 3.9-4.3 9474/9449=77...(11) QG1 VAL 58 - HA ASP 61 far 0 61 0 - 5.9-6.3 QD1 ILE 8 - HA ASP 61 far 0 82 0 - 8.1-8.6 QD1 ILE 56 - HA ASP 61 far 0 85 0 - 9.9-10.2 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 2.7-2.9 9472=76, 1.8/9481=59...(15) HB3 GLU 62 - HA ASP 61 far 0 88 0 - 5.6-5.7 HG2 GLU 69 - HA ASP 61 far 0 96 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 9450 from cnoeabs.peaks (2.09, 2.73, 40.38 ppm; 4.94 A): 4 out of 8 assignments used, quality = 0.93: HB2 LEU 64 + HB2 ASP 65 OK 66 66 100 100 4.1-4.3 7049/7055=80...(18) HB3 GLU 62 + HB3 ASP 61 OK 56 100 60 93 4.1-6.0 7007/7004=83, ~10743=38...(4) HB2 LEU 64 + HB3 ASP 61 OK 37 93 40 99 5.1-5.7 9449/3.0=78, ~9481=59...(12) HG2 GLU 69 + HB2 ASP 65 OK 31 47 85 78 4.9-5.3 10763/1.8=39...(7) HB3 GLU 62 - HB2 ASP 65 far 8 76 10 - 5.2-5.9 HB2 GLU 69 - HB2 ASP 65 far 0 47 0 - 6.0-6.3 HB3 GLU 69 - HB2 ASP 65 far 0 47 0 - 7.4-7.7 HB3 GLU 35 - HB2 ASP 65 far 0 71 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 9451 from cnoeabs.peaks (1.47, 2.73, 40.38 ppm; 5.32 A): 3 out of 11 assignments used, quality = 1.00: HD2 LYS 82 + HB3 ASP 61 OK 97 98 100 99 3.7-5.5 9766/3.0=74, 9444/4.0=60...(8) HG LEU 64 + HB2 ASP 65 OK 74 74 100 100 4.7-5.0 9501/3.0=82...(12) HG2 LYS 66 + HB2 ASP 65 OK 66 66 100 100 4.1-4.6 9495/1.8=95...(7) HB3 LEU 64 - HB2 ASP 65 far 0 67 0 - 5.8-5.9 HG3 LYS 66 - HB2 ASP 65 far 0 64 0 - 5.9-6.3 HB3 LEU 64 - HB3 ASP 61 far 0 94 0 - 6.1-6.8 HD2 LYS 82 - HB2 ASP 65 far 0 71 0 - 7.0-7.8 HG LEU 64 - HB3 ASP 61 far 0 99 0 - 7.2-8.0 HG2 LYS 66 - HB3 ASP 61 far 0 93 0 - 7.7-9.6 HG3 LYS 66 - HB3 ASP 61 far 0 91 0 - 9.0-10.8 HG LEU 38 - HB2 ASP 65 far 0 71 0 - 9.8-10.7 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 4.6-5.7 9447/3.0=84, ~9449=56...(11) QD2 LEU 64 + HB2 ASP 65 OK 76 76 100 100 4.0-4.7 9503/3.0=89...(13) QD1 LEU 38 - HB2 ASP 65 far 0 76 0 - 9.5-10.2 QD2 LEU 38 - HB2 ASP 65 far 0 44 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 9459 from cnoeabs.peaks (1.48, 3.91, 58.27 ppm; 4.78 A increased from 4.03 A): 2 out of 7 assignments used, quality = 1.00: HG2 LYS 66 + HA GLU 63 OK 95 96 100 100 3.9-4.9 3.0/2771=84...(12) HG3 LYS 66 + HA GLU 63 OK 93 94 100 99 4.0-4.8 3.0/2771=84, 4.8/2769=54...(10) HB3 LEU 64 - HA GLU 63 far 0 96 0 - 5.8-5.9 HG LEU 38 - HA GLU 63 far 0 96 0 - 6.0-6.8 HB2 LEU 38 - HA GLU 63 far 0 92 0 - 7.0-8.3 HG LEU 64 - HA GLU 63 far 0 100 0 - 7.0-7.1 HD2 LYS 82 - HA GLU 63 far 0 96 0 - 7.7-8.8 Violated in 0 structures by 0.00 A. Peak 9460 from cnoeabs.peaks (0.70, 3.91, 58.27 ppm; 4.16 A): 3 out of 8 assignments used, quality = 1.00: QD1 ILE 8 + HA GLU 63 OK 93 98 100 95 3.9-4.2 3.0/10745=55...(10) QG1 VAL 58 + HA GLU 63 OK 88 88 100 100 3.5-3.7 10225/3.0=60...(29) QG2 VAL 58 + HA GLU 63 OK 81 90 90 100 4.4-4.8 2.1/10235=60...(26) QD1 ILE 56 - HA GLU 63 far 0 99 0 - 7.1-7.5 QD1 LEU 42 - HA GLU 63 far 0 99 0 - 8.8-9.3 HG13 ILE 56 - HA GLU 63 far 0 95 0 - 9.3-9.6 QG2 VAL 78 - HA GLU 63 far 0 87 0 - 9.5-9.7 QD2 LEU 6 - HA GLU 63 far 0 99 0 - 9.9-10.4 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 3.0-3.5 9380/1.8=75, 10220=75...(27) QD1 ILE 8 + HB2 GLU 63 OK 85 87 100 98 2.6-3.0 3.0/10744=46, 8308=40...(13) QG1 VAL 58 + HB2 GLU 63 OK 68 68 100 100 1.9-2.1 2.1/10700=69...(27) QD1 ILE 56 - HB2 GLU 63 far 0 90 0 - 6.8-7.2 QD2 LEU 14 - HB2 GLU 63 far 0 88 0 - 7.9-8.3 HG13 ILE 56 - HB2 GLU 63 far 0 79 0 - 8.4-8.7 QD1 LEU 14 - HB2 GLU 63 far 0 99 0 - 9.0-9.5 QD2 LEU 6 - HB2 GLU 63 far 0 100 0 - 9.0-9.4 QD1 LEU 42 - HB2 GLU 63 far 0 100 0 - 9.3-9.7 QG2 VAL 78 - HB2 GLU 63 far 0 65 0 - 9.4-9.6 Violated in 0 structures by 0.00 A. Peak 9462 from cnoeabs.peaks (0.69, 1.78, 29.93 ppm; 3.75 A): 2 out of 7 assignments used, quality = 0.99: QG2 VAL 58 + HB3 GLU 63 OK 96 96 100 100 2.5-3.0 9380=81, 2.1/10225=74...(32) QG1 VAL 58 + HB3 GLU 63 OK 79 79 100 100 2.8-3.1 10225=72, 2.1/9380=65...(29) QD1 ILE 8 - HB3 GLU 63 far 0 94 0 - 4.1-4.5 QD1 ILE 56 - HB3 GLU 63 far 0 96 0 - 8.0-8.2 QD2 LEU 14 - HB3 GLU 63 far 0 95 0 - 8.2-8.6 QD1 LEU 14 - HB3 GLU 63 far 0 97 0 - 8.9-9.4 HG13 ILE 56 - HB3 GLU 63 far 0 88 0 - 9.7-10.2 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 18 assignments used, quality = 1.00: QG1 VAL 58 + HG2 GLU 63 OK 100 100 100 100 3.8-4.5 10716=77, 10225/3.0=74...(19) QD1 ILE 8 + HG2 GLU 63 OK 87 98 95 94 3.8-4.9 8308/3.0=47...(9) QD1 ILE 15 - HG3 GLU 16 far 0 63 0 - 5.0-6.1 QD1 LEU 42 - HG3 GLU 43 far 0 24 0 - 5.3-6.4 HG13 ILE 15 - HG3 GLU 16 far 0 73 0 - 6.4-8.0 QG2 ILE 93 - HG2 GLU 23 far 0 39 0 - 6.6-7.4 QD2 LEU 14 - HG3 GLU 16 far 0 97 0 - 7.2-8.2 QD1 LEU 64 - HG2 GLU 63 far 0 93 0 - 7.5-7.9 QD2 LEU 14 - HG2 GLU 63 far 0 97 0 - 7.5-9.5 QD2 LEU 6 - HG3 GLU 43 far 0 22 0 - 8.0-9.8 QG1 VAL 5 - HG2 GLU 23 far 0 56 0 - 8.4-9.3 QD1 ILE 15 - HG2 GLU 63 far 0 63 0 - 8.5-11.0 QG1 VAL 78 - HG3 GLU 43 far 0 33 0 - 8.6-9.9 QD1 ILE 56 - HG2 GLU 63 far 0 96 0 - 8.7-9.1 QD1 ILE 52 - HG3 GLU 43 far 0 29 0 - 9.0-10.0 QD2 LEU 27 - HG2 GLU 23 far 0 55 0 - 9.1-9.7 QD1 ILE 56 - HG3 GLU 43 far 0 38 0 - 9.2-10.4 QD2 LEU 6 - HG2 GLU 63 far 0 65 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 9464 from cnoeabs.peaks (6.87, 1.78, 29.93 ppm; 5.84 A): 1 out of 1 assignment used, quality = 1.00: HD21 ASN 60 + HB3 GLU 63 OK 100 100 100 100 3.0-4.1 9427/1.8=93, 9425/3.0=92...(9) Violated in 0 structures by 0.00 A. Peak 9465 from cnoeabs.peaks (6.87, 2.29, 36.00 ppm; 5.60 A): 1 out of 2 assignments used, quality = 1.00: HD21 ASN 60 + HG2 GLU 63 OK 100 100 100 100 2.3-3.1 9426=99, 9425/1.8=99...(10) QE TYR 41 - HG3 GLU 43 far 0 38 0 - 7.8-10.4 Violated in 0 structures by 0.00 A. Peak 9466 from cnoeabs.peaks (6.88, 2.52, 36.00 ppm; 5.17 A): 1 out of 1 assignment used, quality = 1.00: HD21 ASN 60 + HG3 GLU 63 OK 100 100 100 100 1.9-2.2 9425=99, 9426/1.8=89...(12) Violated in 0 structures by 0.00 A. Peak 9471 from cnoeabs.peaks (4.33, 3.75, 58.94 ppm; 5.26 A): 2 out of 3 assignments used, quality = 0.94: HA ASP 65 + HA LEU 64 OK 91 91 100 100 4.8-4.8 10765=79, 7100/7099=69...(20) HA ASP 61 + HA LEU 64 OK 30 75 40 100 5.5-5.7 9472/3.0=79, 9470/3.0=70...(12) HA ARG 81 - HA LEU 64 far 0 81 0 - 6.0-6.5 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 2.7-2.9 9449=97, 9481/1.8=69...(15) HA ASP 65 - HB2 LEU 64 far 0 59 0 - 4.4-4.5 HA ARG 81 - HB2 LEU 64 far 0 99 0 - 6.2-7.0 Violated in 0 structures by 0.00 A. Peak 9473 from cnoeabs.peaks (1.35, 2.11, 41.70 ppm; 5.18 A): 2 out of 4 assignments used, quality = 1.00: HB2 LYS 82 + HB2 LEU 64 OK 100 100 100 100 3.8-4.5 10252/3.1=90, ~9758=59...(13) QB ALA 67 + HB2 LEU 64 OK 98 98 100 100 4.8-5.1 2981/3.0=88...(14) HG3 LYS 68 - HB2 LEU 64 far 0 100 0 - 7.0-7.3 HG12 ILE 8 - HB2 LEU 64 far 0 98 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 9474 from cnoeabs.peaks (0.69, 2.11, 41.70 ppm; 3.95 A): 1 out of 5 assignments used, quality = 0.99: QG2 VAL 58 + HB2 LEU 64 OK 99 99 100 100 2.8-3.1 9379/1.8=86, 10219=82...(20) QG1 VAL 58 - HB2 LEU 64 far 3 68 5 - 4.2-4.6 QD1 ILE 8 - HB2 LEU 64 far 0 87 0 - 6.6-7.2 QD1 ILE 56 - HB2 LEU 64 far 0 90 0 - 7.6-8.0 QG2 VAL 78 - HB2 LEU 64 far 0 65 0 - 8.8-9.5 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 2.0-2.6 9388=72, 2.1/9385=55...(21) QD1 ILE 8 - HA LEU 64 far 0 65 0 - 4.5-5.0 QD1 ILE 56 - HA LEU 64 far 0 70 0 - 5.2-5.6 QD1 LEU 42 - HA LEU 64 far 0 96 0 - 8.3-8.9 QD2 LEU 14 - HA LEU 64 far 0 68 0 - 9.7-10.2 QD2 LEU 6 - HA LEU 64 far 0 98 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 9476 from cnoeabs.peaks (0.97, 3.75, 58.94 ppm; 3.85 A): 1 out of 4 assignments used, quality = 0.99: QG2 THR 80 + HA LEU 64 OK 99 100 100 100 2.4-2.9 10762/2843=63...(15) QG2 VAL 83 - HA LEU 64 far 0 99 0 - 7.2-7.7 QG1 VAL 83 - HA LEU 64 far 0 63 0 - 7.9-8.5 HG LEU 55 - HA LEU 64 far 0 99 0 - 9.5-9.9 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 8 assignments used, quality = 1.00: QG2 VAL 58 + HB3 LEU 64 OK 99 99 100 100 1.8-1.9 9379=86, 9474/1.8=64...(25) QG1 VAL 58 + HB3 LEU 64 OK 67 68 100 100 3.1-3.6 2.1/9379=63, ~9474=40...(17) QD1 ILE 8 - HB3 LEU 64 far 0 87 0 - 5.8-6.4 QD1 ILE 56 - HB3 LEU 64 far 0 90 0 - 6.9-7.3 QG2 VAL 78 - HB3 LEU 64 far 0 65 0 - 8.2-8.9 HG13 ILE 56 - HB3 LEU 64 far 0 79 0 - 9.1-9.5 QD2 LEU 14 - HB3 LEU 64 far 0 88 0 - 9.4-9.9 QD1 LEU 14 - HB3 LEU 64 far 0 99 0 - 9.6-10.1 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 4.0-4.7 7055/7052=85...(13) HE2 LYS 82 + QD2 LEU 64 OK 97 97 100 100 3.9-5.3 12331=79, 3.0/10940=70...(9) HB3 ASP 61 + QD2 LEU 64 OK 49 99 50 99 4.6-5.7 3.0/9447=72, ~9449=46...(11) Violated in 0 structures by 0.00 A. Peak 9479 from cnoeabs.peaks (2.88, 0.86, 25.46 ppm; 4.90 A increased from 3.92 A): 3 out of 7 assignments used, quality = 0.95: HE3 LYS 68 + QD2 LEU 64 OK 72 81 90 100 3.1-5.7 3.6/12320=60, ~10264=57...(26) HE2 LYS 68 + QD2 LEU 64 OK 69 77 90 100 2.3-5.8 3.6/12320=60, ~10264=57...(26) HE3 LYS 82 + QD2 LEU 64 OK 38 85 45 100 3.8-5.7 1.8/12331=69...(7) HB2 ASN 60 - QD2 LEU 64 far 0 98 0 - 6.7-6.9 HE3 LYS 66 - QD2 LEU 64 far 0 91 0 - 7.1-10.5 HE2 LYS 66 - QD2 LEU 64 far 0 96 0 - 8.4-10.5 HE3 LYS 94 - QD1 LEU 103 far 0 38 0 - 9.5-21.0 Violated in 0 structures by 0.00 A. Peak 9480 from cnoeabs.peaks (4.35, 0.86, 25.46 ppm; 3.81 A): 3 out of 5 assignments used, quality = 0.99: HA ASP 61 + QD2 LEU 64 OK 97 98 100 99 2.9-3.3 9447=59, 9449/3.1=59...(15) HA ARG 81 + QD2 LEU 64 OK 44 99 45 99 3.7-4.7 9483/2.1=66...(14) HA ASP 65 + QD2 LEU 64 OK 38 59 65 99 3.8-4.2 3.0/7052=57, 9482/2.1=54...(20) HA SER 102 - QD1 LEU 103 far 2 41 5 - 3.1-6.6 HA ARG 81 - QD1 LEU 103 far 0 57 0 - 7.8-22.2 Violated in 0 structures by 0.00 A. Peak 9481 from cnoeabs.peaks (4.36, 1.49, 41.70 ppm; 3.93 A): 1 out of 2 assignments used, quality = 0.99: HA ASP 61 + HB3 LEU 64 OK 99 100 100 100 3.8-4.0 9449/1.8=85...(16) HA ARG 81 - HB3 LEU 64 far 0 100 0 - 5.1-5.7 Violated in 4 structures by 0.01 A. Peak 9482 from cnoeabs.peaks (4.35, 1.48, 27.00 ppm; 4.47 A): 1 out of 5 assignments used, quality = 0.59: HA ASP 65 + HG LEU 64 OK 59 59 100 100 3.3-3.5 3.0/2833=65, 9501=49...(22) HA ASP 61 - HG LEU 64 far 0 98 0 - 5.1-5.5 HA ARG 81 - HG LEU 64 far 0 99 0 - 5.1-5.9 HA ASP 65 - HG LEU 38 far 0 41 0 - 8.9-9.6 HA SER 102 - HG13 ILE 52 far 0 46 0 - 10.0-14.8 Violated in 0 structures by 0.00 A. Peak 9483 from cnoeabs.peaks (4.35, 0.74, 24.36 ppm; 3.94 A): 1 out of 3 assignments used, quality = 0.95: HA ARG 81 + QD1 LEU 64 OK 95 96 100 99 2.4-3.0 3.0/7318=65...(18) HA ASP 65 - QD1 LEU 64 far 0 71 0 - 4.7-4.9 HA ASP 61 - QD1 LEU 64 far 0 93 0 - 4.8-5.2 Violated in 0 structures by 0.00 A. Peak 9484 from cnoeabs.peaks (2.90, 0.74, 24.36 ppm; 5.41 A increased from 4.56 A): 2 out of 5 assignments used, quality = 0.97: HE2 LYS 68 + QD1 LEU 64 OK 89 99 90 100 3.1-5.8 3.0/10264=95, 10265=55...(28) HE3 LYS 68 + QD1 LEU 64 OK 70 100 70 100 2.4-5.9 3.0/10264=95...(28) HB2 ASN 60 - QD1 LEU 64 far 0 99 0 - 7.1-7.4 HE3 LYS 66 - QD1 LEU 64 far 0 100 0 - 8.0-10.9 HE2 LYS 66 - QD1 LEU 64 far 0 100 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 9485 from cnoeabs.peaks (2.88, 1.48, 27.00 ppm; 5.05 A increased from 4.75 A): 2 out of 12 assignments used, quality = 0.91: HE3 LYS 68 + HG LEU 64 OK 72 81 90 99 2.0-5.7 ~10264=60, ~11010=56...(22) HE2 LYS 68 + HG LEU 64 OK 69 77 90 99 2.2-5.6 ~10264=60, ~11010=56...(23) HE3 LYS 94 - HG3 ARG 91 poor 8 33 25 - 2.1-9.5 HE3 LYS 82 - HG LEU 64 far 0 85 0 - 6.8-8.8 HE3 LYS 66 - HG LEU 64 far 0 91 0 - 7.4-11.1 HE2 LYS 66 - HG LEU 38 far 0 74 0 - 7.4-10.8 HE3 LYS 39 - HG LEU 38 far 0 80 0 - 7.4-9.4 HE3 LYS 66 - HG LEU 38 far 0 68 0 - 7.5-10.7 HE2 LYS 39 - HG LEU 38 far 0 78 0 - 7.6-9.7 HB2 ASN 60 - HG LEU 64 far 0 98 0 - 8.3-8.5 HE2 LYS 66 - HG LEU 64 far 0 96 0 - 8.9-10.8 HE3 LYS 68 - HG LEU 38 far 0 58 0 - 9.3-12.6 Violated in 0 structures by 0.00 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 3.4-3.6 3.0/7328=65, 3.9/9761=56...(22) HA ARG 79 - QD1 LEU 64 far 0 96 0 - 6.0-6.4 HA LEU 55 - QD1 LEU 64 far 0 84 0 - 7.1-7.7 Violated in 0 structures by 0.00 A. Peak 9487 from cnoeabs.peaks (8.19, 2.71, 40.20 ppm; 6.04 A increased from 5.69 A): 1 out of 1 assignment used, quality = 1.00: H LYS 68 + HB2 ASP 65 OK 100 100 100 100 5.8-6.0 7100/3.0=98...(7) Violated in 0 structures by 0.00 A. Peak 9488 from cnoeabs.peaks (8.18, 2.64, 40.20 ppm; 5.85 A): 1 out of 3 assignments used, quality = 1.00: H LYS 68 + HB3 ASP 65 OK 100 100 100 100 5.5-5.7 7100/3.0=96...(12) H HIS 106 - HB3 ASP 77 far 0 83 0 - 7.3-21.7 H GLU 104 - HB3 ASP 77 far 0 61 0 - 8.1-17.7 Violated in 0 structures by 0.00 A. Peak 9493 from cnoeabs.peaks (1.85, 2.64, 40.20 ppm; 5.06 A increased from 4.76 A): 1 out of 7 assignments used, quality = 0.99: HB3 LYS 66 + HB3 ASP 65 OK 99 99 100 100 4.7-4.9 7070/7067=91...(8) HB2 LYS 53 - HB3 ASP 77 far 0 97 0 - 5.5-6.4 HB3 LYS 68 - HB3 ASP 65 far 0 93 0 - 6.9-7.2 HB VAL 54 - HB3 ASP 77 far 0 69 0 - 6.9-7.8 HB2 LYS 68 - HB3 ASP 65 far 0 97 0 - 7.4-7.9 HG2 ARG 46 - HB3 ASP 77 far 0 80 0 - 7.6-10.2 HB3 GLU 104 - HB3 ASP 77 far 0 92 0 - 7.6-20.9 Violated in 0 structures by 0.00 A. Peak 9494 from cnoeabs.peaks (1.63, 2.64, 40.20 ppm; 5.29 A): 4 out of 10 assignments used, quality = 0.99: HG2 LYS 68 + HB3 ASP 65 OK 97 98 100 100 4.6-4.9 10268/3.0=67, ~9502=60...(13) HD2 LYS 66 + HB3 ASP 65 OK 52 81 65 100 4.2-5.8 2.9/9495=89, 3.6/9493=66...(8) HD2 LYS 68 + HB3 ASP 65 OK 35 88 40 99 4.8-6.9 ~9502=46, ~10267=43...(16) HD3 LYS 68 + HB3 ASP 65 OK 22 90 25 99 4.9-7.1 ~9502=46, ~10267=43...(16) HB ILE 76 - HB3 ASP 77 far 0 94 0 - 5.6-6.2 HB2 ARG 79 - HB3 ASP 77 far 0 77 0 - 7.9-8.7 HB3 ARG 79 - HB3 ASP 77 far 0 83 0 - 9.4-10.2 HD2 LYS 73 - HB3 ASP 65 far 0 61 0 - 9.6-13.3 HD3 LYS 73 - HB3 ASP 65 far 0 65 0 - 9.8-13.6 HG3 LYS 73 - HB3 ASP 65 far 0 75 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 9495 from cnoeabs.peaks (1.46, 2.64, 40.20 ppm; 4.01 A): 1 out of 12 assignments used, quality = 0.70: HG2 LYS 66 + HB3 ASP 65 OK 70 75 100 93 3.1-3.6 7071/7067=50...(10) HG2 LYS 53 - HB3 ASP 77 far 5 99 5 - 4.1-5.4 HG3 LYS 66 - HB3 ASP 65 far 0 71 0 - 4.9-5.3 HG LEU 64 - HB3 ASP 65 far 0 92 0 - 5.7-5.9 HG3 LYS 53 - HB3 ASP 77 far 0 98 0 - 5.7-7.2 HD2 LYS 53 - HB3 ASP 77 far 0 99 0 - 5.9-7.8 HG13 ILE 76 - HB3 ASP 77 far 0 85 0 - 6.5-7.3 HB3 LEU 64 - HB3 ASP 65 far 0 77 0 - 6.9-7.2 HG13 ILE 52 - HB3 ASP 77 far 0 99 0 - 7.3-9.0 HD2 LYS 82 - HB3 ASP 65 far 0 100 0 - 8.5-9.5 HG2 LYS 73 - HB3 ASP 65 far 0 73 0 - 9.2-10.7 HG LEU 38 - HB3 ASP 65 far 0 100 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 9496 from cnoeabs.peaks (0.86, 2.64, 40.20 ppm; 5.00 A): 1 out of 7 assignments used, quality = 0.82: QG2 ILE 76 + HB3 ASP 77 OK 82 82 100 100 3.8-4.5 3.2/10770=73...(13) QD2 LEU 64 - HB3 ASP 65 far 0 100 0 - 5.3-5.9 QD1 LEU 103 - HB3 ASP 77 far 0 98 0 - 6.1-14.8 QD2 LEU 103 - HB3 ASP 77 far 0 73 0 - 6.8-13.9 QD1 LEU 2 - HB3 ASP 77 far 0 83 0 - 7.0-9.0 QD1 LEU 38 - HB3 ASP 65 far 0 100 0 - 9.0-9.6 QD2 LEU 38 - HB3 ASP 65 far 0 68 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 9497 from cnoeabs.peaks (0.73, 2.64, 40.20 ppm; 5.32 A): 1 out of 12 assignments used, quality = 0.95: QG1 VAL 78 + HB3 ASP 77 OK 95 95 100 100 4.6-5.3 10906/9496=71, ~8181=53...(12) QG2 VAL 78 - HB3 ASP 77 far 0 97 0 - 6.0-6.2 QD1 LEU 64 - HB3 ASP 65 far 0 99 0 - 6.6-6.9 QD1 ILE 52 - HB3 ASP 77 far 0 61 0 - 6.7-7.8 QD2 LEU 42 - HB3 ASP 77 far 0 65 0 - 6.9-7.5 QG1 VAL 58 - HB3 ASP 65 far 0 99 0 - 7.0-7.4 QG1 VAL 54 - HB3 ASP 77 far 0 75 0 - 7.7-8.5 QD1 ILE 8 - HB3 ASP 65 far 0 90 0 - 8.2-8.7 QD1 ILE 56 - HB3 ASP 77 far 0 85 0 - 8.5-9.0 QD1 ILE 56 - HB3 ASP 65 far 0 87 0 - 8.5-8.8 QG2 VAL 78 - HB3 ASP 65 far 0 99 0 - 9.4-9.8 QD1 LEU 6 - HB3 ASP 77 far 0 57 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 9498 from cnoeabs.peaks (1.85, 2.71, 40.20 ppm; 5.82 A increased from 5.17 A): 1 out of 4 assignments used, quality = 0.96: HB3 LYS 66 + HB2 ASP 65 OK 96 96 100 100 5.2-5.8 7070/7066=96...(7) HB3 LYS 68 - HB2 ASP 65 far 0 85 0 - 6.7-7.2 HB2 LYS 68 - HB2 ASP 65 far 0 99 0 - 7.5-8.0 HB3 LYS 66 - HB3 ASP 61 far 0 70 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 9499 from cnoeabs.peaks (0.73, 2.71, 40.20 ppm; 6.41 A): 2 out of 8 assignments used, quality = 0.99: QD1 LEU 64 + HB2 ASP 65 OK 99 99 100 100 5.8-6.1 7053/7055=95...(14) QG1 VAL 58 + HB2 ASP 65 OK 29 99 30 100 6.6-6.9 7040/10238=84...(4) QD1 LEU 64 - HB3 ASP 61 far 11 73 15 - 6.6-7.6 QG1 VAL 58 - HB3 ASP 61 far 0 73 0 - 7.9-8.1 QD1 ILE 8 - HB2 ASP 65 far 0 90 0 - 8.1-8.6 QD1 ILE 56 - HB2 ASP 65 far 0 87 0 - 8.7-9.1 QG2 VAL 78 - HB2 ASP 65 far 0 99 0 - 9.6-10.1 QD1 ILE 8 - HB3 ASP 61 far 0 62 0 - 9.7-10.4 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 9 assignments used, quality = 0.98: HG2 LYS 68 + HA ASP 65 OK 92 93 100 99 2.0-2.3 1.8/9502=54...(19) HD2 LYS 68 + HA ASP 65 OK 58 79 75 98 2.0-4.3 3.0/9502=45...(22) HD3 LYS 68 + HA ASP 65 OK 51 81 65 97 2.3-4.4 3.0/9502=45...(22) HD2 LYS 39 - HA ASP 36 far 4 30 15 - 4.0-5.9 HB2 LYS 40 - HA ASP 36 far 0 37 0 - 4.8-5.7 HD3 LYS 39 - HA ASP 36 far 0 41 0 - 5.7-6.6 HD2 LYS 66 - HA ASP 65 far 0 90 0 - 6.8-7.7 HD2 LYS 66 - HA ASP 36 far 0 38 0 - 8.3-12.5 HG3 LYS 73 - HA ASP 65 far 0 85 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 9501 from cnoeabs.peaks (1.49, 4.31, 57.27 ppm; 4.17 A): 1 out of 13 assignments used, quality = 1.00: HG LEU 64 + HA ASP 65 OK 100 100 100 100 3.3-3.5 2.1/9503=70, 2833/3.0=57...(25) HG2 LYS 66 - HA ASP 65 far 0 100 0 - 5.4-5.6 HB2 LEU 38 - HA ASP 36 far 0 31 0 - 5.4-6.1 HB3 LEU 64 - HA ASP 65 far 0 100 0 - 5.6-5.6 HD2 LYS 40 - HA ASP 36 far 0 39 0 - 6.2-7.1 HD3 LYS 40 - HA ASP 36 far 0 39 0 - 6.6-8.6 HG3 LYS 66 - HA ASP 65 far 0 99 0 - 7.0-7.2 HD2 LYS 82 - HA ASP 65 far 0 84 0 - 7.5-8.6 HG LEU 38 - HA ASP 36 far 0 34 0 - 7.7-8.2 HG LEU 38 - HA ASP 65 far 0 84 0 - 8.9-9.6 HG3 LYS 66 - HA ASP 36 far 0 46 0 - 9.0-11.1 HG2 LYS 73 - HA ASP 65 far 0 100 0 - 9.3-10.9 HG2 LYS 73 - HA ASP 36 far 0 47 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 9502 from cnoeabs.peaks (1.34, 4.31, 57.27 ppm; 4.51 A): 1 out of 9 assignments used, quality = 0.99: HG3 LYS 68 + HA ASP 65 OK 99 99 100 100 3.1-3.4 10267=72, 1.8/10268=60...(16) QB ALA 67 - HA ASP 65 far 10 100 10 - 4.7-5.0 HG2 LYS 39 - HA ASP 36 far 0 48 0 - 5.7-6.4 HG3 LYS 40 - HA ASP 36 far 0 41 0 - 6.8-8.0 HB2 LEU 70 - HA ASP 36 far 0 33 0 - 7.5-9.1 HB2 LEU 70 - HA ASP 65 far 0 81 0 - 7.9-8.5 HB2 LYS 82 - HA ASP 65 far 0 100 0 - 7.9-8.4 QB ALA 67 - HA ASP 36 far 0 48 0 - 9.2-10.2 HB3 LEU 42 - HA ASP 36 far 0 23 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 9503 from cnoeabs.peaks (0.86, 4.31, 57.27 ppm; 4.23 A): 1 out of 7 assignments used, quality = 1.00: QD2 LEU 64 + HA ASP 65 OK 100 100 100 100 3.8-4.2 2.1/9501=74, 7052/3.0=69...(24) QD1 LEU 38 - HA ASP 36 far 0 48 0 - 6.5-7.0 QG2 VAL 32 - HA ASP 36 far 0 34 0 - 7.1-7.4 QD2 LEU 38 - HA ASP 36 far 0 26 0 - 7.2-7.4 QD1 LEU 38 - HA ASP 65 far 0 100 0 - 8.3-8.9 QD2 LEU 38 - HA ASP 65 far 0 68 0 - 8.9-9.5 HG13 ILE 8 - HA ASP 36 far 0 31 0 - 10.0-12.3 Violated in 2 structures by 0.00 A. Peak 9504 from cnoeabs.peaks (0.74, 4.31, 57.27 ppm; 5.14 A increased from 4.83 A): 1 out of 10 assignments used, quality = 1.00: QD1 LEU 64 + HA ASP 65 OK 100 100 100 100 4.7-4.9 2.1/9501=94, 2.1/9503=93...(27) QG1 VAL 58 - HA ASP 65 far 0 88 0 - 6.2-6.5 QD1 ILE 56 - HA ASP 65 far 0 65 0 - 7.0-7.4 QG2 VAL 78 - HA ASP 65 far 0 90 0 - 7.5-8.0 QD1 ILE 8 - HA ASP 65 far 0 70 0 - 8.0-8.2 QD1 ILE 8 - HA ASP 36 far 0 27 0 - 8.2-8.9 QD1 LEU 6 - HA ASP 36 far 0 33 0 - 8.4-9.1 QD2 LEU 42 - HA ASP 36 far 0 37 0 - 9.1-9.6 QD1 ILE 56 - HA ASP 36 far 0 25 0 - 9.3-10.2 QG1 VAL 78 - HA ASP 65 far 0 100 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 9508 from cnoeabs.peaks (3.90, 1.49, 24.58 ppm; 4.66 A): 2 out of 7 assignments used, quality = 1.00: HA GLU 63 + HG2 LYS 66 OK 95 95 100 100 3.9-4.9 2771/3.0=76...(12) HA GLU 63 + HG3 LYS 66 OK 94 96 100 99 4.0-4.8 2771/3.0=76, 7061/4.8=50...(10) HA GLU 35 - HG3 LYS 66 far 0 99 0 - 5.6-7.0 HA GLU 35 - HG2 LYS 66 far 0 98 0 - 6.9-8.2 HB3 SER 9 - HG3 LYS 33 far 0 54 0 - 7.7-8.6 HA LEU 38 - HG3 LYS 33 far 0 59 0 - 8.4-8.9 HA GLU 35 - HG3 LYS 33 far 0 72 0 - 9.2-9.3 Violated in 0 structures by 0.00 A. Peak 9509 from cnoeabs.peaks (3.90, 1.60, 27.82 ppm; 6.50 A increased from 6.01 A): 2 out of 3 assignments used, quality = 0.94: HA GLU 63 + HD2 LYS 66 OK 91 96 95 100 6.1-6.8 2771/3.6=94...(7) HA GLU 35 + HD2 LYS 66 OK 34 98 35 98 6.0-8.9 4.1/12308=91, ~12158=27...(7) HB3 SER 9 - HG2 ARG 19 far 0 65 0 - 8.0-11.2 Violated in 0 structures by 0.00 A. Peak 9510 from cnoeabs.peaks (3.87, 2.90, 41.80 ppm; 6.22 A): 6 out of 30 assignments used, quality = 1.00: HA LYS 94 + HE3 LYS 94 OK 97 97 100 100 3.8-6.4 6.0=100 HA LYS 94 + HE2 LYS 94 OK 76 85 90 100 3.9-6.7 6.0=100 HA ARG 91 + HE3 LYS 94 OK 65 87 80 93 2.2-7.2 4021/7.3=30, 4242/3.0=29...(10) HA ARG 91 + HE2 LYS 94 OK 51 73 75 93 2.9-7.2 4021/7.3=30, 4242/3.0=29...(10) HA GLU 35 + HE3 LYS 39 OK 31 63 70 70 6.0-7.8 4.9/8788=27...(6) HA ALA 67 + HE2 LYS 66 OK 23 96 25 95 5.8-8.9 ~2951=54, ~7090=47...(10) HA GLU 35 - HE2 LYS 66 poor 18 91 20 - 6.2-10.1 HA LYS 40 - HE3 LYS 39 poor 18 73 40 61 5.3-7.3 10561/4.9=36...(4) HA ALA 67 - HE3 LYS 66 far 10 97 10 - 6.0-8.9 HA GLU 35 - HE2 LYS 39 poor 10 48 20 - 5.9-8.0 HA GLU 35 - HE3 LYS 66 far 5 93 5 - 6.5-9.6 HA ALA 71 - HE2 LYS 39 far 0 46 0 - 6.5-9.5 HA ALA 67 - HE3 LYS 68 far 0 95 0 - 6.6-9.5 HA LYS 40 - HE2 LYS 39 far 0 57 0 - 6.6-8.0 HA ALA 71 - HE3 LYS 39 far 0 60 0 - 7.4-9.4 HA LEU 38 - HE3 LYS 39 far 0 72 0 - 7.7-9.0 HA ALA 67 - HE3 LYS 39 far 0 68 0 - 7.8-10.2 HA ALA 67 - HE2 LYS 68 far 0 94 0 - 7.8-9.4 HA LEU 38 - HE2 LYS 39 far 0 56 0 - 7.8-9.6 HA LYS 12 - HE2 LYS 20 far 0 92 0 - 7.8-11.9 HA ALA 67 - HE2 LYS 39 far 0 52 0 - 7.9-10.3 HA GLU 43 - HE2 LYS 39 far 0 52 0 - 8.0-9.6 HA GLU 43 - HE3 LYS 39 far 0 67 0 - 8.4-9.9 HA ALA 89 - HE3 LYS 94 far 0 66 0 - 8.5-12.7 HA LYS 12 - HE3 LYS 20 far 0 91 0 - 9.1-12.7 HA ALA 71 - HE2 LYS 66 far 0 88 0 - 9.3-13.1 HA ALA 89 - HE2 LYS 94 far 0 54 0 - 9.3-12.9 HA ALA 71 - HE3 LYS 68 far 0 87 0 - 9.4-11.4 HA ALA 71 - HE2 LYS 68 far 0 85 0 - 9.5-11.9 HA ALA 71 - HE3 LYS 66 far 0 90 0 - 9.5-13.1 Violated in 0 structures by 0.00 A. Peak 9511 from cnoeabs.peaks (0.79, 4.08, 58.43 ppm; 3.94 A increased from 3.71 A): 3 out of 22 assignments used, quality = 0.99: QD1 ILE 76 + HA ARG 46 OK 84 84 100 100 2.9-4.1 9639=99, 3.2/9513=53...(21) QD1 LEU 70 + HA LYS 66 OK 83 87 100 96 3.5-3.8 9516/3.0=36...(15) QG2 ILE 52 + HA ARG 46 OK 70 82 100 86 3.4-3.8 3.1/9512=47...(10) QD2 LEU 70 - HA LYS 66 far 0 96 0 - 4.6-5.3 QD2 LEU 42 - HA ARG 46 far 0 68 0 - 5.1-5.7 QD1 ILE 93 - HA GLU 17 far 0 47 0 - 5.5-6.0 QG2 ILE 15 - HA GLU 17 far 0 51 0 - 6.6-6.8 QD1 LEU 27 - HA LYS 24 far 0 53 0 - 7.3-7.9 QD2 LEU 2 - HA ARG 46 far 0 78 0 - 7.3-9.7 QG1 VAL 54 - HA ARG 46 far 0 60 0 - 7.4-8.5 QD2 LEU 38 - HA LYS 66 far 0 75 0 - 7.6-8.1 QG2 ILE 7 - HA GLU 17 far 0 58 0 - 7.9-8.3 QD1 ILE 93 - HA LYS 24 far 0 55 0 - 8.1-9.1 QD1 LEU 6 - HA ARG 46 far 0 73 0 - 8.1-8.7 QD1 ILE 15 - HA GLU 17 far 0 36 0 - 8.4-8.6 QG2 ILE 8 - HA LYS 66 far 0 100 0 - 8.5-8.9 HG13 ILE 15 - HA GLU 17 far 0 30 0 - 8.6-9.3 QD2 LEU 42 - HA LYS 66 far 0 85 0 - 8.9-9.5 QG2 VAL 32 - HA LYS 66 far 0 57 0 - 9.6-10.3 QD1 ILE 76 - HA LYS 66 far 0 99 0 - 9.6-10.5 QD1 LEU 6 - HA LYS 66 far 0 91 0 - 9.6-10.2 QD1 LEU 57 - HA GLU 17 far 0 32 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 9512 from cnoeabs.peaks (0.70, 4.08, 58.43 ppm; 4.58 A increased from 4.07 A): 1 out of 15 assignments used, quality = 0.85: QD1 ILE 52 + HA ARG 46 OK 85 86 100 99 4.2-4.6 9171=81, 9151/3.0=54...(12) QD1 ILE 56 - HA LYS 66 far 0 99 0 - 6.8-7.1 QD1 LEU 42 - HA ARG 46 far 0 83 0 - 6.8-7.2 QG1 VAL 58 - HA LYS 66 far 0 91 0 - 6.9-7.1 QD1 LEU 42 - HA LYS 66 far 0 99 0 - 6.9-7.6 QD1 ILE 8 - HA LYS 66 far 0 99 0 - 7.1-7.3 QD2 LEU 14 - HA GLU 17 far 0 57 0 - 7.1-7.6 QD1 LEU 14 - HA GLU 17 far 0 47 0 - 7.2-8.0 QD2 LEU 27 - HA LYS 24 far 0 45 0 - 7.5-8.1 QG2 VAL 58 - HA LYS 66 far 0 87 0 - 7.7-7.9 QG2 VAL 78 - HA LYS 66 far 0 90 0 - 7.9-8.3 QG2 VAL 78 - HA ARG 46 far 0 72 0 - 7.9-8.8 QD1 ILE 56 - HA ARG 46 far 0 85 0 - 8.8-9.6 QG1 VAL 5 - HA GLU 17 far 0 42 0 - 8.9-9.8 HG13 ILE 56 - HA LYS 66 far 0 96 0 - 10.0-10.4 Violated in 1 structures by 0.00 A. Peak 9513 from cnoeabs.peaks (0.87, 4.08, 58.43 ppm; 4.12 A): 1 out of 8 assignments used, quality = 0.80: QG2 ILE 76 + HA ARG 46 OK 80 81 100 99 2.7-3.6 3.2/9639=60...(23) QD1 LEU 38 - HA LYS 66 far 0 99 0 - 6.5-7.1 QD1 LEU 2 - HA ARG 46 far 0 82 0 - 6.5-7.3 QD2 LEU 64 - HA LYS 66 far 0 100 0 - 7.4-7.9 HG13 ILE 7 - HA GLU 17 far 0 45 0 - 7.9-10.2 QG1 VAL 32 - HA LYS 66 far 0 61 0 - 8.3-9.1 QD1 LEU 38 - HA ARG 46 far 0 84 0 - 8.7-9.4 QG2 VAL 32 - HA LYS 66 far 0 61 0 - 9.6-10.3 Violated in 0 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 97 98 100 99 2.3-2.6 9516/1.8=62...(18) QD2 LEU 70 + HB2 LYS 66 OK 93 100 100 94 4.0-4.7 ~9516=44, 2.1/2892=38...(15) QD2 LEU 38 - HB2 LYS 66 far 0 93 0 - 6.4-7.2 QG2 ILE 8 - HB2 LYS 66 far 0 95 0 - 7.1-7.5 QG2 VAL 32 - HB2 LYS 66 far 0 81 0 - 8.2-9.0 QD2 LEU 42 - HB2 LYS 66 far 0 63 0 - 8.6-9.5 QD1 LEU 6 - HB2 LYS 66 far 0 71 0 - 8.9-9.5 QD1 ILE 76 - HB2 LYS 66 far 0 100 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 9515 from cnoeabs.peaks (0.71, 1.77, 31.73 ppm; 6.39 A increased from 6.02 A): 2 out of 9 assignments used, quality = 0.98: QG1 VAL 58 + HB2 LYS 66 OK 97 98 100 99 6.3-6.6 9520/2895=92...(3) QD1 ILE 8 + HB2 LYS 66 OK 36 100 100 36 5.8-6.2 9460/2884=20...(3) QD1 ILE 56 - HB2 LYS 66 far 5 100 5 - 6.6-7.2 QD1 LEU 42 - HB2 LYS 66 far 5 93 5 - 6.5-7.4 QG2 VAL 58 - HB2 LYS 66 far 0 73 0 - 7.6-7.9 QD1 LEU 64 - HB2 LYS 66 far 0 70 0 - 8.2-8.6 QG2 VAL 78 - HB2 LYS 66 far 0 97 0 - 8.6-8.9 HG13 ILE 56 - HB2 LYS 66 far 0 100 0 - 9.5-10.1 QG1 VAL 78 - HB2 LYS 66 far 0 61 0 - 9.9-10.6 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 11 assignments used, quality = 0.94: QD1 LEU 70 + HB3 LYS 66 OK 93 94 100 98 3.4-3.8 9506/7070=46...(16) QD1 ILE 93 + HB3 LYS 90 OK 23 24 100 96 4.0-4.9 10025/3.0=57...(13) QD2 LEU 70 - HB3 LYS 66 far 0 99 0 - 5.4-6.1 QG2 ILE 8 - HB3 LYS 66 far 0 99 0 - 6.1-6.5 QD2 LEU 38 - HB3 LYS 66 far 0 85 0 - 6.1-6.9 QD1 LEU 57 - HB3 LYS 90 far 0 22 0 - 7.9-8.5 QG2 VAL 32 - HB3 LYS 66 far 0 70 0 - 8.0-8.8 QD1 LEU 27 - HB3 LYS 90 far 0 23 0 - 8.8-9.4 QD1 LEU 6 - HB3 LYS 66 far 0 82 0 - 8.8-9.5 QD2 LEU 57 - HB3 LYS 90 far 0 36 0 - 8.9-9.7 QD2 LEU 42 - HB3 LYS 66 far 0 75 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 9517 from cnoeabs.peaks (0.81, 1.49, 24.58 ppm; 3.59 A): 0 out of 15 assignments used, quality = 0.00: QD1 LEU 70 - HG3 LYS 66 far 0 100 0 - 4.3-4.6 QG2 ILE 8 - HG3 LYS 33 far 0 61 0 - 4.9-5.9 QD1 LEU 70 - HG2 LYS 66 far 0 100 0 - 4.9-5.2 QG2 VAL 32 - HG3 LYS 33 far 0 62 0 - 5.3-5.5 QD2 LEU 70 - HG3 LYS 66 far 0 100 0 - 5.5-6.3 QG2 ILE 7 - HG3 LYS 33 far 0 72 0 - 5.8-6.1 QD2 LEU 70 - HG2 LYS 66 far 0 100 0 - 6.1-7.0 QG2 ILE 15 - HG3 LYS 33 far 0 76 0 - 6.1-6.7 QD2 LEU 38 - HG3 LYS 33 far 0 71 0 - 6.9-7.3 QG2 ILE 8 - HG3 LYS 66 far 0 88 0 - 7.2-7.8 QG2 ILE 8 - HG2 LYS 66 far 0 88 0 - 7.5-8.3 QD2 LEU 38 - HG3 LYS 66 far 0 98 0 - 7.9-8.5 QD2 LEU 38 - HG2 LYS 66 far 0 97 0 - 8.1-8.9 QD1 LEU 6 - HG3 LYS 33 far 0 38 0 - 8.7-9.2 QG2 VAL 32 - HG3 LYS 66 far 0 90 0 - 9.5-10.2 Violated in 20 structures by 0.16 A. Peak 9524 from cnoeabs.peaks (0.82, 3.85, 55.40 ppm; 3.28 A): 3 out of 20 assignments used, quality = 0.96: QD1 LEU 70 + HA ALA 67 OK 86 99 100 87 2.5-3.4 9540=35, 2.1/9539=29...(9) QD1 ILE 76 + HA ALA 71 OK 60 63 100 95 2.1-3.2 3.2/9651=30...(20) QD1 LEU 38 + HA ALA 67 OK 38 65 100 58 2.7-3.3 ~9526=21, 9526/2.1=20...(7) QD2 LEU 38 - HA ALA 67 far 0 100 0 - 3.8-4.4 QD1 LEU 38 - HA ALA 71 far 0 45 0 - 4.5-5.1 QD2 LEU 70 - HA ALA 67 far 0 95 0 - 5.1-5.7 QD2 LEU 70 - HA ALA 71 far 0 71 0 - 5.5-5.8 QD1 LEU 70 - HA ALA 71 far 0 77 0 - 5.5-5.8 QG2 VAL 32 - HA ALA 67 far 0 100 0 - 6.1-6.8 QG2 ILE 8 - HA ALA 67 far 0 61 0 - 6.3-6.9 QD2 LEU 38 - HA ALA 71 far 0 80 0 - 6.9-7.6 QD1 ILE 76 - HA ALA 67 far 0 87 0 - 7.3-8.0 QD2 LEU 57 - HA ALA 22 far 0 44 0 - 7.7-9.3 QD2 LEU 64 - HA ALA 67 far 0 61 0 - 7.7-8.0 QG2 ILE 7 - HA ALA 22 far 0 48 0 - 8.4-8.9 QD2 LEU 57 - HA ALA 67 far 0 79 0 - 8.4-8.8 QG2 VAL 32 - HA ALA 71 far 0 78 0 - 8.8-9.3 QG2 ILE 15 - HA ALA 22 far 0 59 0 - 8.8-9.6 QD1 LEU 57 - HA ALA 22 far 0 65 0 - 9.3-9.7 QD1 LEU 57 - HA ALA 67 far 0 100 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 9525 from cnoeabs.peaks (0.72, 3.85, 55.40 ppm; 3.49 A): 3 out of 28 assignments used, quality = 0.98: QD1 ILE 56 + HA ALA 67 OK 93 96 100 97 3.0-3.3 8306=39, ~10677=32...(17) QD1 LEU 42 + HA ALA 71 OK 47 48 100 97 1.9-2.5 2.1/8924=53, 10597=32...(23) QG2 ILE 93 + HA ALA 22 OK 43 46 100 94 2.0-2.3 10028=30, 11002/3.0=26...(20) QG1 VAL 78 - HA ALA 71 far 6 64 10 - 3.8-4.1 QG2 VAL 78 - HA ALA 71 far 0 80 0 - 3.9-4.3 QD1 ILE 8 - HA ALA 67 far 0 98 0 - 4.0-4.5 QD1 LEU 42 - HA ALA 67 far 0 70 0 - 4.1-4.7 QD1 ILE 56 - HA ALA 71 far 0 73 0 - 4.6-4.9 QG1 VAL 58 - HA ALA 67 far 0 100 0 - 4.6-4.9 QG1 VAL 5 - HA ALA 22 far 0 65 0 - 4.8-5.7 QG2 VAL 78 - HA ALA 67 far 0 100 0 - 5.2-5.4 HG13 ILE 56 - HA ALA 67 far 0 99 0 - 5.3-5.7 QD2 LEU 27 - HA ALA 22 far 0 64 0 - 5.4-5.8 HG13 ILE 93 - HA ALA 22 far 0 54 0 - 5.6-6.1 QD1 LEU 64 - HA ALA 67 far 0 93 0 - 6.1-6.8 QG1 VAL 78 - HA ALA 67 far 0 88 0 - 6.4-7.1 QG1 VAL 54 - HA ALA 71 far 0 40 0 - 6.5-7.1 QG1 VAL 54 - HA ALA 67 far 0 59 0 - 6.9-7.5 HG13 ILE 56 - HA ALA 71 far 0 78 0 - 7.3-7.7 QD2 LEU 6 - HA ALA 67 far 0 65 0 - 7.5-8.0 QD1 ILE 8 - HA ALA 71 far 0 75 0 - 8.7-9.1 QD1 ILE 52 - HA ALA 71 far 0 57 0 - 8.8-9.7 QD2 LEU 6 - HA ALA 71 far 0 45 0 - 8.8-9.3 QG1 VAL 54 - HA ALA 22 far 0 32 0 - 9.1-10.0 QG1 VAL 58 - HA ALA 71 far 0 80 0 - 9.6-9.9 QD1 LEU 64 - HA ALA 71 far 0 69 0 - 9.7-10.5 QD2 LEU 6 - HA ALA 22 far 0 36 0 - 9.7-10.3 QG1 VAL 5 - HA ALA 67 far 0 100 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 9526 from cnoeabs.peaks (0.82, 1.34, 17.79 ppm; 3.53 A increased from 3.14 A): 2 out of 11 assignments used, quality = 0.76: QD2 LEU 38 + QB ALA 67 OK 64 100 100 64 2.9-3.6 10674/9528=33, ~1659=13...(10) QD1 LEU 38 + QB ALA 67 OK 33 65 100 50 3.0-3.6 10674/9528=16...(8) QD1 LEU 70 - QB ALA 67 far 5 99 5 - 3.8-4.4 QG2 ILE 8 - QB ALA 67 far 0 61 0 - 4.7-5.0 QD2 LEU 64 - QB ALA 67 far 0 61 0 - 5.0-5.3 QG2 VAL 32 - QB ALA 67 far 0 100 0 - 5.1-5.7 QD2 LEU 57 - QB ALA 67 far 0 79 0 - 5.6-6.0 QD2 LEU 70 - QB ALA 67 far 0 95 0 - 6.0-6.4 QD1 LEU 57 - QB ALA 67 far 0 100 0 - 6.4-7.1 QD1 ILE 76 - QB ALA 67 far 0 87 0 - 7.0-7.7 QG2 ILE 7 - QB ALA 67 far 0 84 0 - 7.7-8.0 Violated in 0 structures by 0.00 A. Peak 9527 from cnoeabs.peaks (0.71, 1.34, 17.79 ppm; 2.79 A): 3 out of 15 assignments used, quality = 1.00: QD1 ILE 56 + QB ALA 67 OK 94 100 100 94 1.9-2.3 3.0/9528=36, 10681=34...(16) QG1 VAL 58 + QB ALA 67 OK 90 99 100 91 2.4-2.7 9384=43, 10223/9732=32...(15) QD1 ILE 8 + QB ALA 67 OK 47 100 100 47 2.5-3.0 10681=18, 8313/9528=16...(7) QD1 LEU 64 - QB ALA 67 far 0 75 0 - 3.3-3.9 QG2 VAL 58 - QB ALA 67 far 0 68 0 - 3.5-4.1 HG13 ILE 56 - QB ALA 67 far 0 100 0 - 3.8-3.9 QG2 VAL 78 - QB ALA 67 far 0 99 0 - 4.1-4.2 QD1 LEU 42 - QB ALA 67 far 0 90 0 - 4.5-5.1 QG1 VAL 78 - QB ALA 67 far 0 68 0 - 5.4-6.0 QD2 LEU 6 - QB ALA 67 far 0 87 0 - 6.2-6.6 QG1 VAL 5 - QB ALA 67 far 0 96 0 - 7.2-7.7 HG3 ARG 81 - QB ALA 67 far 0 79 0 - 8.0-8.9 QD2 LEU 14 - QB ALA 67 far 0 100 0 - 8.6-8.9 QD1 LEU 14 - QB ALA 67 far 0 71 0 - 9.6-10.0 QD1 ILE 52 - QB ALA 67 far 0 96 0 - 10.0-11.2 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 = 0.95: QG2 ILE 56 + QB ALA 67 OK 95 96 100 99 1.8-1.9 9325=62, 2.1/10783=50...(23) QD1 ILE 7 - QB ALA 67 far 0 63 0 - 7.6-8.8 Violated in 0 structures by 0.00 A. Peak 9539 from cnoeabs.peaks (3.85, 1.70, 27.00 ppm; 4.94 A): 1 out of 5 assignments used, quality = 0.99: HA ALA 67 + HG LEU 70 OK 99 100 100 99 4.4-5.2 7140/7152=78...(7) HA GLU 35 - HG LEU 70 far 0 75 0 - 5.5-6.5 HA ALA 71 - HG LEU 70 far 0 99 0 - 6.5-6.6 HA LEU 38 - HG LEU 70 far 0 94 0 - 7.9-9.0 HA LYS 12 - HG2 PRO 86 far 0 75 0 - 9.4-10.9 Violated in 2 structures by 0.02 A. Peak 9540 from cnoeabs.peaks (3.87, 0.81, 25.21 ppm; 3.24 A): 3 out of 20 assignments used, quality = 0.99: HA ALA 67 + QD1 LEU 70 OK 84 97 100 87 2.5-3.4 9524=43, 9539/2.1=27...(10) HA GLU 35 + QD1 LEU 70 OK 80 93 90 95 2.9-3.6 10609=74, 3.0/10420=39...(10) HA LEU 38 + QD2 LEU 38 OK 65 66 100 99 2.0-2.1 3.8=60, 1659/2.1=48...(25) HA ALA 67 - QD2 LEU 38 far 0 62 0 - 3.8-4.4 HA ALA 89 - QD2 LEU 57 far 0 36 0 - 4.2-4.7 HA GLU 35 - QD2 LEU 38 far 0 57 0 - 4.4-4.9 HA LEU 38 - QD1 LEU 70 far 0 100 0 - 4.6-5.6 HA ALA 71 - QD1 LEU 70 far 0 90 0 - 5.5-5.8 HA ALA 71 - QD2 LEU 38 far 0 54 0 - 6.9-7.6 HA LYS 40 - QD1 LEU 70 far 0 100 0 - 7.3-8.2 HA LYS 40 - QD2 LEU 38 far 0 67 0 - 7.5-7.8 HA2 GLY 101 - QD2 LEU 57 far 0 61 0 - 8.3-13.1 HA ALA 67 - QD2 LEU 57 far 0 56 0 - 8.4-8.8 HA ARG 91 - QD2 LEU 57 far 0 51 0 - 8.4-8.9 HA LYS 94 - QD2 LEU 57 far 0 61 0 - 8.5-9.5 HA GLU 43 - QD1 LEU 70 far 0 96 0 - 8.9-9.8 HA LEU 38 - QD2 LEU 57 far 0 60 0 - 9.2-10.0 HA3 GLY 101 - QD2 LEU 57 far 0 46 0 - 9.3-12.1 HA GLU 43 - QD2 LEU 38 far 0 61 0 - 9.4-9.7 HB2 SER 85 - QD2 LEU 57 far 0 34 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 9541 from cnoeabs.peaks (3.87, 0.81, 24.20 ppm; 3.98 A): 1 out of 11 assignments used, quality = 0.36: HA ALA 89 + QD1 LEU 57 OK 36 37 100 97 2.2-2.9 3.0/9926=48...(14) HA GLU 35 - QD2 LEU 70 far 0 95 0 - 4.3-5.4 HA ALA 67 - QD2 LEU 70 far 0 96 0 - 5.1-5.7 HA ALA 71 - QD2 LEU 70 far 0 87 0 - 5.5-5.8 HA LEU 38 - QD2 LEU 70 far 0 100 0 - 6.3-7.2 HA LYS 40 - QD2 LEU 70 far 0 100 0 - 6.8-7.7 HB2 SER 85 - QD1 LEU 57 far 0 35 0 - 7.2-8.2 HA ARG 91 - QD1 LEU 57 far 0 50 0 - 7.2-7.6 HA GLU 43 - QD2 LEU 70 far 0 98 0 - 8.3-9.2 HA LYS 94 - QD1 LEU 57 far 0 58 0 - 9.1-9.4 HA ALA 67 - QD1 LEU 57 far 0 52 0 - 9.5-10.4 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 = 0.94: QD1 LEU 42 + HB2 LEU 70 OK 94 100 100 95 2.8-3.7 9544/1.8=73...(8) QD1 ILE 56 - HB2 LEU 70 far 0 98 0 - 4.4-5.0 QG2 VAL 78 - HB2 LEU 70 far 0 82 0 - 5.5-6.1 QD1 ILE 8 - HB2 LEU 70 far 0 96 0 - 6.5-6.9 HG13 ILE 56 - HB2 LEU 70 far 0 92 0 - 7.0-7.7 QG1 VAL 58 - HB2 LEU 70 far 0 84 0 - 7.5-7.8 QG2 VAL 54 - HB2 LEU 70 far 0 57 0 - 8.3-9.0 QD2 LEU 6 - HB2 LEU 70 far 0 99 0 - 8.3-9.1 QG2 VAL 58 - HB2 LEU 70 far 0 93 0 - 9.2-9.7 Violated in 1 structures by 0.00 A. Peak 9544 from cnoeabs.peaks (0.68, 1.72, 41.70 ppm; 3.62 A): 1 out of 8 assignments used, quality = 1.00: QD1 LEU 42 + HB3 LEU 70 OK 100 100 100 100 2.7-3.4 10404=99, 9543/1.8=68...(8) QD1 ILE 56 - HB3 LEU 70 far 0 87 0 - 5.4-6.0 QG2 VAL 78 - HB3 LEU 70 far 0 61 0 - 6.3-6.8 QD1 ILE 8 - HB3 LEU 70 far 0 84 0 - 7.5-8.0 HG13 ILE 56 - HB3 LEU 70 far 0 75 0 - 8.1-8.8 QG2 VAL 54 - HB3 LEU 70 far 0 79 0 - 8.6-9.3 QD2 LEU 6 - HB3 LEU 70 far 0 100 0 - 8.7-9.3 QG1 VAL 58 - HB3 LEU 70 far 0 63 0 - 8.8-9.1 Violated in 0 structures by 0.00 A. Peak 9545 from cnoeabs.peaks (0.67, 1.70, 27.00 ppm; 4.76 A increased from 4.23 A): 2 out of 7 assignments used, quality = 0.80: QD1 LEU 14 + HG2 PRO 86 OK 74 74 100 100 4.1-4.9 8411/3.8=73, 9889/1.8=70...(24) QD1 LEU 42 + HG LEU 70 OK 23 95 25 99 4.9-5.7 10404/3.0=86...(6) QD1 ILE 56 - HG LEU 70 far 0 65 0 - 6.1-7.0 QD2 LEU 14 - HG2 PRO 86 far 0 40 0 - 6.1-7.0 QD1 ILE 8 - HG LEU 70 far 0 61 0 - 7.1-7.9 QG2 VAL 58 - HG LEU 70 far 0 100 0 - 9.3-10.2 QD2 LEU 6 - HG LEU 70 far 0 96 0 - 9.9-11.0 Violated in 0 structures by 0.00 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 3.7-4.6 10822/2.1=99...(14) HA LYS 39 + QD2 LEU 38 OK 58 58 100 100 5.3-5.6 ~6602=84, ~6600=77...(19) 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 17 assignments used, quality = 1.00: HE2 LYS 66 + QD1 LEU 70 OK 99 100 100 99 2.9-6.3 2.9/10782=68...(17) HE3 LYS 66 + QD1 LEU 70 OK 99 100 100 99 2.8-6.0 2.9/10782=68...(16) HE3 LYS 39 + QD1 LEU 70 OK 92 93 100 99 3.1-5.7 ~11009=50, ~8958=45...(16) HE2 LYS 39 + QD1 LEU 70 OK 85 85 100 99 3.4-5.6 ~11009=50, ~10821=44...(15) HE3 LYS 39 - QD2 LEU 38 far 0 57 0 - 7.7-8.9 HE3 LYS 68 - QD2 LEU 57 far 0 57 0 - 7.8-12.3 HE2 LYS 39 - QD2 LEU 38 far 0 51 0 - 7.8-9.4 HE3 LYS 68 - QD1 LEU 70 far 0 98 0 - 7.9-9.9 HE2 LYS 68 - QD2 LEU 57 far 0 56 0 - 8.0-11.6 HE2 LYS 66 - QD2 LEU 38 far 0 67 0 - 8.1-10.9 HE3 LYS 66 - QD2 LEU 38 far 0 66 0 - 8.2-10.8 HE2 LYS 68 - QD1 LEU 70 far 0 97 0 - 8.7-10.1 HE3 LYS 68 - QD2 LEU 38 far 0 63 0 - 8.7-11.5 HB2 ASN 60 - QD2 LEU 38 far 0 67 0 - 9.1-9.7 HB2 ASN 60 - QD1 LEU 70 far 0 100 0 - 9.4-9.9 HE2 LYS 68 - QD2 LEU 38 far 0 62 0 - 9.6-11.6 HE3 LYS 94 - QD2 LEU 57 far 0 55 0 - 9.6-12.7 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 13 assignments used, quality = 1.00: HG2 GLU 35 + QD1 LEU 70 OK 98 99 100 100 1.9-3.4 2.9/10420=71...(18) HG3 GLU 35 + QD1 LEU 70 OK 98 99 100 100 1.9-2.3 2.9/10420=71...(17) HG3 GLU 35 - QD2 LEU 38 far 0 64 0 - 5.5-7.3 HB2 GLU 63 - QD2 LEU 38 far 0 63 0 - 5.5-6.2 HG2 GLU 35 - QD2 LEU 38 far 0 64 0 - 5.9-7.3 HB2 GLU 63 - QD1 LEU 70 far 0 98 0 - 6.8-7.3 HB3 GLU 95 - QD2 LEU 57 far 0 43 0 - 6.9-8.6 HB2 GLU 95 - QD2 LEU 57 far 0 52 0 - 7.1-8.8 HG2 GLU 43 - QD1 LEU 70 far 0 100 0 - 7.6-8.5 HB2 GLU 63 - QD2 LEU 57 far 0 57 0 - 7.9-8.3 HB2 GLN 72 - QD1 LEU 70 far 0 90 0 - 8.3-8.7 HG2 GLU 43 - QD2 LEU 38 far 0 67 0 - 8.5-9.3 HG2 GLU 99 - QD2 LEU 57 far 0 33 0 - 8.7-11.1 Violated in 0 structures by 0.00 A. Peak 9549 from cnoeabs.peaks (2.01, 0.81, 25.21 ppm; 4.29 A increased from 4.04 A): 2 out of 19 assignments used, quality = 1.00: HB2 GLU 35 + QD1 LEU 70 OK 100 100 100 100 4.1-4.3 1.8/10420=85...(10) HB2 GLU 37 + QD2 LEU 38 OK 20 39 65 79 4.4-4.7 8837=38, 6581/4.5=36...(6) QE MET 74 - QD1 LEU 70 far 10 99 10 - 4.3-5.3 HG12 ILE 93 - QD2 LEU 57 far 2 45 5 - 4.0-6.0 HB2 GLU 37 - QD1 LEU 70 far 0 70 0 - 6.2-7.3 QE MET 74 - QD2 LEU 38 far 0 64 0 - 6.2-6.5 HB2 GLU 35 - QD2 LEU 38 far 0 67 0 - 6.9-7.4 HB2 GLU 62 - QD1 LEU 70 far 0 100 0 - 7.5-8.1 HB2 MET 21 - QD2 LEU 57 far 0 29 0 - 8.0-9.6 HB2 GLU 44 - QD2 LEU 38 far 0 64 0 - 8.6-9.2 HB3 LYS 94 - QD2 LEU 57 far 0 58 0 - 8.7-10.0 HB2 GLU 99 - QD2 LEU 57 far 0 38 0 - 8.8-11.5 HB3 GLU 17 - QD2 LEU 57 far 0 60 0 - 8.8-10.1 HB2 GLU 62 - QD2 LEU 38 far 0 67 0 - 9.2-9.9 HB2 ARG 46 - QD1 LEU 70 far 0 63 0 - 9.4-12.1 HB3 GLU 99 - QD2 LEU 57 far 0 45 0 - 9.5-11.5 HB2 ARG 46 - QD2 LEU 38 far 0 35 0 - 9.8-12.1 HB3 GLU 44 - QD2 LEU 38 far 0 64 0 - 9.8-10.4 HG12 ILE 93 - QD2 LEU 38 far 0 50 0 - 10.0-10.7 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 3.5-4.5 9613=72, 1.8/9611=61...(12) HG3 GLU 23 - HA ALA 22 far 0 44 0 - 5.2-5.9 HG3 GLN 72 - HA ALA 71 far 0 91 0 - 5.7-6.4 HG3 GLN 72 - HA ALA 67 far 0 67 0 - 8.0-8.1 HG2 MET 74 - HA ALA 67 far 0 76 0 - 8.4-9.5 HG3 GLU 63 - HA ALA 67 far 0 80 0 - 8.4-9.1 HG3 GLU 95 - HA ALA 22 far 0 58 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 9552 from cnoeabs.peaks (2.62, 3.85, 55.14 ppm; 5.58 A increased from 4.96 A): 1 out of 7 assignments used, quality = 1.00: HG3 MET 74 + HA ALA 71 OK 100 100 100 100 3.1-5.3 9611=100, 1.8/9551=97...(16) HB3 ASP 65 - HA ALA 67 far 0 66 0 - 7.3-7.5 HB VAL 58 - HA ALA 67 far 0 67 0 - 7.5-7.9 HG3 MET 74 - HA ALA 67 far 0 79 0 - 7.7-10.6 HB3 TYR 41 - HA ALA 71 far 0 93 0 - 8.4-9.1 HB3 TYR 41 - HA ALA 67 far 0 69 0 - 8.5-9.1 HB3 ASP 77 - HA ALA 71 far 0 96 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 9553 from cnoeabs.peaks (0.74, 1.41, 18.49 ppm; 2.72 A): 3 out of 11 assignments used, quality = 1.00: QG1 VAL 78 + QB ALA 71 OK 93 99 100 93 1.9-2.4 10290=47, 2.1/9685=32...(16) QG2 VAL 78 + QB ALA 71 OK 91 96 100 95 1.8-1.9 2.1/10210=42, 10292=39...(18) QD2 LEU 42 + QB ALA 71 OK 60 79 100 76 2.1-2.7 2.1/12014=41...(12) QD1 ILE 56 - QB ALA 71 lone 8 77 100 10 2.5-2.7 2595/10835=7, 9550/7165=3 QG1 VAL 54 - QB ALA 71 far 0 87 0 - 4.5-5.0 HG13 ILE 56 - QB ALA 71 far 0 88 0 - 4.7-5.1 QD1 LEU 6 - QB ALA 71 far 0 71 0 - 4.8-5.1 QD1 ILE 8 - QB ALA 71 far 0 81 0 - 6.5-6.7 QD1 LEU 64 - QB ALA 71 far 0 100 0 - 6.5-7.2 QG1 VAL 58 - QB ALA 71 far 0 95 0 - 6.8-7.0 QG1 VAL 5 - QB ALA 71 far 0 99 0 - 8.4-9.0 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 98 2.2-2.8 9554/7173=61...(11) HA LEU 70 - HB3 GLN 72 far 0 95 0 - 5.0-5.4 HA GLU 75 - HB3 GLN 72 far 0 100 0 - 6.1-6.9 Violated in 0 structures by 0.00 A. Peak 9560 from cnoeabs.peaks (3.98, 2.16, 28.06 ppm; 4.28 A increased from 4.03 A): 1 out of 3 assignments used, quality = 0.98: HA GLU 69 + HB2 GLN 72 OK 98 99 100 99 3.6-4.3 9559/1.8=75...(10) HA GLU 75 - HB2 GLN 72 far 0 96 0 - 5.2-6.1 HA LEU 70 - HB2 GLN 72 far 0 68 0 - 6.1-6.6 Violated in 0 structures by 0.00 A. Peak 9561 from cnoeabs.peaks (4.01, 2.42, 33.99 ppm; 5.47 A increased from 4.86 A): 2 out of 3 assignments used, quality = 0.98: HA GLU 69 + HG2 GLN 72 OK 96 96 100 100 4.8-5.5 9559/3.0=92, 9562/1.8=89...(12) HA GLU 75 + HG2 GLN 72 OK 58 99 70 83 4.7-6.0 9619/3186=79, 9616/9568=18 HA LEU 70 - HG2 GLN 72 far 0 99 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 9562 from cnoeabs.peaks (4.00, 2.54, 33.99 ppm; 4.75 A): 1 out of 3 assignments used, quality = 1.00: HA GLU 69 + HG3 GLN 72 OK 100 100 100 100 3.5-4.2 9559/3.0=80...(13) HA GLU 75 - HG3 GLN 72 far 0 100 0 - 6.3-7.5 HA LEU 70 - HG3 GLN 72 far 0 90 0 - 6.8-7.2 Violated in 0 structures by 0.00 A. Peak 9563 from cnoeabs.peaks (1.89, 2.54, 33.99 ppm; 5.57 A): 1 out of 3 assignments used, quality = 0.96: HB3 LYS 68 + HG3 GLN 72 OK 96 96 100 100 4.8-5.1 12167=73, 3.0/12324=55...(16) HB VAL 54 - HG3 GLN 72 far 0 100 0 - 9.3-10.3 HG LEU 42 - HG3 GLN 72 far 0 99 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 9564 from cnoeabs.peaks (1.64, 2.54, 33.99 ppm; 5.86 A increased from 5.21 A): 3 out of 8 assignments used, quality = 1.00: HG2 LYS 68 + HG3 GLN 72 OK 99 100 100 99 5.5-6.0 2.9/9563=78...(14) HD3 LYS 68 + HG3 GLN 72 OK 73 98 75 99 4.7-6.6 3.5/9563=71...(15) HD2 LYS 68 + HG3 GLN 72 OK 39 98 40 99 4.6-7.0 3.5/9563=71...(15) HB ILE 76 - HG3 GLN 72 far 0 100 0 - 6.2-7.2 HD3 LYS 73 - HG3 GLN 72 far 0 84 0 - 8.1-9.5 HD2 LYS 73 - HG3 GLN 72 far 0 81 0 - 8.2-9.7 HB2 ARG 79 - HG3 GLN 72 far 0 59 0 - 9.1-10.6 HB3 ARG 79 - HG3 GLN 72 far 0 96 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 9565 from cnoeabs.peaks (1.37, 2.54, 33.99 ppm; 5.39 A): 2 out of 4 assignments used, quality = 0.94: HG3 LYS 68 + HG3 GLN 72 OK 82 84 100 98 4.0-4.8 2.9/9563=68...(14) QB ALA 71 + HG3 GLN 72 OK 65 65 100 100 3.6-4.4 3.6/7175=88, 5.0/3187=68...(11) QB ALA 67 - HG3 GLN 72 far 0 61 0 - 7.0-7.2 HB2 LEU 70 - HG3 GLN 72 far 0 100 0 - 7.2-7.7 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 = 0.99: QG2 VAL 78 + HG3 GLN 72 OK 99 100 100 99 4.0-4.7 9569/1.8=83...(7) QG1 VAL 78 + HG3 GLN 72 OK 26 95 35 78 5.7-6.6 ~9569=67, 10210/12175=29 QD1 ILE 56 - HG3 GLN 72 far 5 91 5 - 6.0-6.7 QD2 LEU 42 - HG3 GLN 72 far 0 61 0 - 7.0-7.8 QD1 LEU 64 - HG3 GLN 72 far 0 98 0 - 7.7-8.4 QG1 VAL 54 - HG3 GLN 72 far 0 71 0 - 9.2-9.9 HG13 ILE 56 - HG3 GLN 72 far 0 97 0 - 9.6-10.4 QG1 VAL 58 - HG3 GLN 72 far 0 99 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 9567 from cnoeabs.peaks (1.61, 2.42, 33.99 ppm; 6.50 A increased from 5.78 A): 3 out of 8 assignments used, quality = 0.82: HB ILE 76 + HG2 GLN 72 OK 65 79 95 86 6.2-6.9 10197/9569=52...(4) HG3 LYS 73 + HG2 GLN 72 OK 33 95 35 100 6.2-7.6 10841/3.0=86...(12) HD3 LYS 68 + HG2 GLN 72 OK 23 65 35 100 5.9-8.3 ~9563=66, 5.3/12325=56...(17) HD2 LYS 68 - HG2 GLN 72 poor 16 63 25 - 6.2-8.6 HG2 LYS 68 - HG2 GLN 72 far 0 82 0 - 7.2-7.8 HG3 LYS 47 - HG2 GLN 50 far 0 70 0 - 8.6-13.0 HG3 LYS 47 - HG3 GLN 50 far 0 97 0 - 8.7-13.1 HB2 ARG 79 - HG2 GLN 72 far 0 96 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 9568 from cnoeabs.peaks (1.40, 2.42, 33.99 ppm; 5.76 A): 1 out of 4 assignments used, quality = 0.98: QB ALA 71 + HG2 GLN 72 OK 98 98 100 100 4.3-4.9 12298/1.8=96...(13) HG13 ILE 76 - HG2 GLN 72 far 0 61 0 - 8.0-8.9 HB2 LEU 70 - HG2 GLN 72 far 0 77 0 - 8.3-8.7 HG13 ILE 76 - HG3 GLN 50 far 0 57 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 9569 from cnoeabs.peaks (0.74, 2.42, 33.99 ppm; 5.59 A): 1 out of 9 assignments used, quality = 0.91: QG2 VAL 78 + HG2 GLN 72 OK 91 93 100 98 4.5-5.5 10850/3.9=64...(7) QG1 VAL 78 - HG2 GLN 72 far 10 100 10 - 5.6-6.8 QG2 ILE 52 - HG2 GLN 50 poor 7 36 20 - 5.4-7.4 QG2 ILE 52 - HG3 GLN 50 far 6 57 10 - 5.7-7.8 QD1 ILE 56 - HG2 GLN 72 far 0 71 0 - 6.9-7.5 QD2 LEU 42 - HG2 GLN 72 far 0 84 0 - 7.3-8.1 QD1 LEU 64 - HG2 GLN 72 far 0 100 0 - 8.9-9.6 QG2 ILE 52 - HG2 GLN 72 far 0 61 0 - 9.5-10.9 QG1 VAL 54 - HG2 GLN 72 far 0 91 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 9580 from cnoeabs.peaks (4.04, 1.67, 28.90 ppm; 3.88 A): 4 out of 21 assignments used, quality = 0.76: HA GLU 16 + HD2 LYS 20 OK 47 71 80 84 3.3-4.6 3.0/12058=59, 851=24...(13) HA GLU 17 + HD3 LYS 20 OK 25 67 60 62 2.0-4.8 872/3.5=13, 894/2.8=12...(16) HA GLU 17 + HD2 LYS 20 OK 25 65 85 45 2.0-4.5 872/3.5=13, 894/2.8=12...(12) HA LEU 70 + HD2 LYS 73 OK 21 96 25 86 3.7-5.1 10813/3.0=43...(9) HA GLU 16 - HD3 LYS 20 far 11 73 15 - 3.1-5.8 HA LYS 20 - HD3 LYS 20 far 7 68 10 - 2.4-5.5 HA LYS 20 - HD2 LYS 20 far 7 66 10 - 3.9-4.9 HA LEU 70 - HD3 LYS 73 far 5 95 5 - 4.1-5.4 HA LYS 20 - HD2 LYS 24 far 3 56 5 - 4.0-7.9 HA LYS 20 - HD3 LYS 24 far 3 53 5 - 3.6-9.0 HA ARG 46 - HD2 LYS 47 far 0 27 0 - 5.2-8.0 HA ARG 46 - HD3 LYS 47 far 0 26 0 - 6.2-7.9 HB2 SER 49 - HD2 LYS 47 far 0 43 0 - 7.0-11.2 HA GLU 75 - HD3 LYS 73 far 0 67 0 - 7.4-9.8 HA GLU 17 - HD3 LYS 24 far 0 53 0 - 7.4-10.9 HA GLU 17 - HD2 LYS 24 far 0 55 0 - 7.5-10.2 HA GLU 75 - HD2 LYS 73 far 0 68 0 - 7.5-9.9 HA GLU 95 - HB3 ARG 91 far 0 48 0 - 7.6-8.3 HB2 SER 49 - HD3 LYS 47 far 0 42 0 - 8.7-11.2 HA GLU 16 - HD3 LYS 24 far 0 58 0 - 9.5-14.0 HA GLU 16 - HD2 LYS 24 far 0 61 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 9581 from cnoeabs.peaks (4.02, 1.60, 25.00 ppm; 5.31 A): 3 out of 10 assignments used, quality = 1.00: HA LEU 70 + HG3 LYS 73 OK 100 100 100 100 2.8-4.6 10813/1.8=94...(12) HA GLU 69 + HG3 LYS 73 OK 47 88 65 82 4.0-6.1 9559/10841=40...(10) HA GLU 17 + HG3 LYS 90 OK 39 39 100 99 3.9-4.6 2.9/12027=71...(14) HA LYS 20 - HG2 LYS 24 lone 3 62 35 14 4.8-8.5 6358/10458=10, 688/12183=3 HA GLU 75 - HG3 LYS 73 far 0 95 0 - 6.7-7.6 HA LYS 20 - HG3 LYS 90 far 0 40 0 - 7.1-8.0 HA GLU 16 - HG3 LYS 12 far 0 81 0 - 7.5-8.6 HA GLU 16 - HG3 LYS 90 far 0 50 0 - 8.2-8.9 HA GLU 17 - HG2 LYS 24 far 0 60 0 - 8.3-11.7 HB3 SER 97 - HG2 LYS 24 far 0 62 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 9582 from cnoeabs.peaks (4.04, 1.96, 32.28 ppm; 3.35 A): 3 out of 13 assignments used, quality = 0.90: HA LYS 20 + HB3 LYS 20 OK 72 72 100 100 2.5-3.0 3.0=100 HA LEU 70 + HB2 LYS 73 OK 50 90 65 85 2.7-4.1 10810/7205=31...(13) HA GLU 17 + HB3 LYS 20 OK 27 71 85 44 3.0-5.3 734=15, 916/3.5=10...(7) HA LEU 70 - HB3 LYS 73 far 0 89 0 - 4.2-5.2 HA GLU 16 - HB3 LYS 20 far 0 75 0 - 5.0-7.0 HA LYS 20 - HB2 LYS 24 far 0 88 0 - 5.1-6.4 HA LYS 20 - HB3 LYS 24 far 0 88 0 - 6.0-7.7 HA ARG 46 - HB2 LYS 47 far 0 62 0 - 6.5-6.6 HB2 SER 49 - HB2 LYS 47 far 0 85 0 - 7.5-8.9 HA LYS 66 - HB2 LYS 73 far 0 65 0 - 7.7-8.5 HA GLU 17 - HB2 LYS 24 far 0 87 0 - 8.5-9.1 HA LYS 66 - HB3 LYS 73 far 0 65 0 - 9.2-9.7 HA GLU 17 - HB3 LYS 24 far 0 87 0 - 9.5-10.5 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 4.4-4.8 9583/7226=92, 9645=90...(10) 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 2.8-3.4 12303=100, 6696/10280=45...(15) H ASP 36 - QE MET 74 far 0 98 0 - 8.4-8.8 H LYS 68 - QE MET 74 far 0 98 0 - 8.4-9.6 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, 6685/12303=73...(17) H LEU 70 - QE MET 74 far 0 99 0 - 5.8-6.9 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 = 0.78: H TYR 41 + QE MET 74 OK 63 63 100 99 5.2-5.6 4.6/9587=67...(11) H LYS 73 + QE MET 74 OK 42 93 45 99 5.5-6.6 7213/3366=71...(9) Violated in 0 structures by 0.00 A. Peak 9589 from cnoeabs.peaks (7.60, 2.00, 17.28 ppm; 5.14 A increased from 4.84 A): 2 out of 3 assignments used, quality = 0.93: H GLU 44 + QE MET 74 OK 75 100 75 100 4.9-5.7 6697/12303=88...(12) H LYS 40 + QE MET 74 OK 74 75 100 98 4.6-5.0 3.6/9609=80, 4.6/3373=53...(10) H GLU 48 - QE MET 74 far 0 97 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 9594 from cnoeabs.peaks (1.42, 2.06, 33.37 ppm; 5.75 A): 2 out of 4 assignments used, quality = 1.00: QB ALA 71 + HB2 MET 74 OK 99 99 100 100 5.2-6.0 9590/7226=80, ~9551=65...(11) HG13 ILE 76 + HB2 MET 74 OK 95 95 100 100 3.0-3.6 1.8/9664=96, 2.1/9596=85...(19) HG3 LYS 39 - HB2 MET 74 far 4 90 5 - 6.0-7.8 HB2 LEU 38 - HB2 MET 74 far 0 65 0 - 9.4-12.0 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 2.4-3.0 9664=96, 2.1/9596=90...(19) 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 2.2-2.8 2.1/9664=92...(17) QD2 LEU 70 - HB2 MET 74 far 0 100 0 - 6.3-7.5 QG2 ILE 52 - HB2 MET 74 far 0 73 0 - 7.4-8.3 QD1 LEU 70 - HB2 MET 74 far 0 100 0 - 7.6-8.8 QD2 LEU 38 - HB2 MET 74 far 0 98 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 9597 from cnoeabs.peaks (1.32, 2.62, 33.04 ppm; 5.30 A): 3 out of 8 assignments used, quality = 0.98: HG2 LYS 39 + HG3 MET 74 OK 90 91 100 99 3.1-5.3 12072/3.4=71, ~9602=66...(11) QB ALA 67 + HB VAL 58 OK 60 61 100 98 4.8-5.0 9384/2.1=76, ~9520=59...(9) HB3 LEU 42 + HG3 MET 74 OK 41 91 45 100 3.5-6.0 ~9615=59, ~9601=58...(18) HG12 ILE 8 - HB VAL 58 poor 14 32 45 - 5.4-6.1 HB2 LYS 82 - HB VAL 58 far 0 56 0 - 5.9-6.5 QB ALA 67 - HG3 MET 74 far 0 98 0 - 8.2-10.6 QB ALA 89 - HB VAL 58 far 0 60 0 - 8.8-9.1 HG LEU 14 - HB VAL 58 far 0 49 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 9598 from cnoeabs.peaks (0.78, 2.62, 33.04 ppm; 4.31 A): 2 out of 17 assignments used, quality = 0.97: QD1 ILE 76 + HG3 MET 74 OK 92 92 100 100 3.0-4.3 9604/3.4=72, 9614/1.8=45...(20) QG2 ILE 8 + HB VAL 58 OK 65 65 100 100 3.1-4.0 8302/3.0=57, ~10224=57...(25) QD2 LEU 42 - HG3 MET 74 far 15 97 15 - 4.3-6.6 QD2 LEU 70 - HG3 MET 74 far 12 82 15 - 4.0-5.9 QD1 LEU 64 - HB VAL 58 far 0 32 0 - 4.9-5.3 QD1 LEU 70 - HG3 MET 74 far 0 68 0 - 5.5-7.8 QG1 VAL 78 - HG3 MET 74 far 0 68 0 - 6.2-8.1 QD2 LEU 57 - HB VAL 58 far 0 60 0 - 6.8-7.4 QD1 LEU 6 - HG3 MET 74 far 0 99 0 - 7.5-10.0 QG2 ILE 7 - HB VAL 58 far 0 57 0 - 7.7-8.2 QD1 LEU 70 - HB VAL 58 far 0 37 0 - 8.3-8.8 QG1 VAL 54 - HG3 MET 74 far 0 93 0 - 8.4-10.8 QG2 ILE 52 - HG3 MET 74 far 0 100 0 - 8.6-10.5 QD1 LEU 6 - HB VAL 58 far 0 63 0 - 8.9-9.4 QD1 ILE 15 - HB VAL 58 far 0 54 0 - 8.9-10.0 QG1 VAL 54 - HB VAL 58 far 0 56 0 - 9.9-10.4 HG13 ILE 15 - HB VAL 58 far 0 49 0 - 10.0-11.0 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 12 assignments used, quality = 0.82: 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 3.3-4.0 2670/2.1=35, ~10224=32...(24) QD1 LEU 42 + HG3 MET 74 OK 23 95 25 98 2.5-5.3 9605/3.4=55, 9615/1.8=42...(19) QD2 LEU 14 - HB VAL 58 far 0 35 0 - 6.6-7.2 QD1 ILE 56 - HG3 MET 74 far 0 65 0 - 6.8-9.1 QD1 ILE 56 - HB VAL 58 far 0 36 0 - 7.3-7.5 QD1 LEU 14 - HB VAL 58 far 0 65 0 - 7.4-8.0 QG2 VAL 54 - HG3 MET 74 far 0 95 0 - 7.8-10.1 QD2 LEU 6 - HB VAL 58 far 0 60 0 - 9.3-9.7 QD1 ILE 52 - HG3 MET 74 far 0 88 0 - 9.6-11.3 QD2 LEU 6 - HG3 MET 74 far 0 96 0 - 9.6-12.0 QD1 ILE 8 - HG3 MET 74 far 0 61 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 9600 from cnoeabs.peaks (1.67, 2.00, 17.28 ppm; 3.80 A): 2 out of 13 assignments used, quality = 0.90: HD3 LYS 39 + QE MET 74 OK 82 85 100 96 3.2-3.9 3.0/9602=63...(14) HD2 LYS 39 + QE MET 74 OK 42 98 45 96 2.9-4.6 3.0/9602=63...(14) HD2 LYS 73 - QE MET 74 far 0 100 0 - 4.2-8.4 HB ILE 76 - QE MET 74 far 0 90 0 - 4.7-5.7 HG LEU 70 - QE MET 74 far 0 73 0 - 5.5-6.6 HD3 LYS 73 - QE MET 74 far 0 100 0 - 5.6-8.5 HB3 LYS 40 - QE MET 74 far 0 95 0 - 5.8-6.7 HB2 LYS 40 - QE MET 74 far 0 92 0 - 6.0-6.6 HD3 LYS 47 - QE MET 74 far 0 96 0 - 7.4-9.6 HD2 LYS 47 - QE MET 74 far 0 97 0 - 7.7-10.3 HB3 LEU 6 - QE MET 74 far 0 94 0 - 8.8-9.4 HD3 LYS 66 - QE MET 74 far 0 68 0 - 9.2-10.7 HG2 LYS 68 - QE MET 74 far 0 87 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 9601 from cnoeabs.peaks (1.79, 2.00, 17.28 ppm; 3.37 A): 1 out of 7 assignments used, quality = 0.91: HB2 LEU 42 + QE MET 74 OK 91 92 100 99 1.9-2.2 3.1/9605=45, 8916=39...(23) HG3 ARG 46 - QE MET 74 poor 16 100 20 81 3.1-6.2 3.0/9608=35...(8) HB2 LYS 39 - QE MET 74 far 0 99 0 - 3.9-4.3 HG2 ARG 46 - QE MET 74 far 0 61 0 - 4.1-6.3 HB VAL 78 - QE MET 74 far 0 100 0 - 7.6-8.7 HB2 LYS 66 - QE MET 74 far 0 91 0 - 8.0-9.2 HB ILE 56 - QE MET 74 far 0 87 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 9602 from cnoeabs.peaks (1.44, 2.00, 17.28 ppm; 3.50 A): 1 out of 7 assignments used, quality = 0.99: HG3 LYS 39 + QE MET 74 OK 99 100 100 99 2.0-3.4 12073=72, 1.8/12072=43...(17) QB ALA 71 - QE MET 74 far 0 82 0 - 4.0-5.0 HG13 ILE 76 - QE MET 74 far 0 100 0 - 4.2-5.1 HB2 LEU 38 - QE MET 74 far 0 94 0 - 5.5-7.0 HG LEU 38 - QE MET 74 far 0 90 0 - 6.5-7.3 HD2 LYS 40 - QE MET 74 far 0 82 0 - 7.7-8.6 HD3 LYS 40 - QE MET 74 far 0 81 0 - 7.9-9.1 Violated in 0 structures by 0.00 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 1.9-2.3 1.8/9602=66, 12072=36...(16) HB3 LEU 42 + QE MET 74 OK 89 90 100 99 1.9-2.4 1.8/9601=60, 3.1/9605=44...(20) HG3 LYS 40 - QE MET 74 far 0 70 0 - 6.5-7.5 QB ALA 67 - QE MET 74 far 0 98 0 - 6.9-7.9 HG3 LYS 68 - QE MET 74 far 0 87 0 - 9.3-10.7 HG2 ARG 30 - QE MET 74 far 0 75 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 9604 from cnoeabs.peaks (0.80, 2.00, 17.28 ppm; 2.98 A): 1 out of 10 assignments used, quality = 0.92: QD1 ILE 76 + QE MET 74 OK 92 100 100 92 1.9-2.7 2.1/9606=27...(19) QD2 LEU 42 - QE MET 74 far 4 79 5 - 3.2-3.8 QD2 LEU 70 - QE MET 74 far 0 98 0 - 3.3-4.7 QD1 LEU 70 - QE MET 74 far 0 92 0 - 4.3-5.3 QD1 LEU 6 - QE MET 74 far 0 85 0 - 5.6-6.0 QD2 LEU 38 - QE MET 74 far 0 82 0 - 6.2-6.5 QG1 VAL 54 - QE MET 74 far 0 70 0 - 6.3-7.3 QG2 VAL 32 - QE MET 74 far 0 65 0 - 7.0-7.3 QG2 ILE 52 - QE MET 74 far 0 95 0 - 7.0-7.6 QG2 ILE 8 - QE MET 74 far 0 99 0 - 9.8-10.7 Violated in 0 structures by 0.00 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...(29) QD1 ILE 56 - QE MET 74 far 0 77 0 - 5.5-6.4 QG2 VAL 54 - QE MET 74 far 0 88 0 - 5.8-6.6 QD2 LEU 6 - QE MET 74 far 0 99 0 - 7.1-7.4 QD1 ILE 52 - QE MET 74 far 0 95 0 - 7.3-7.8 HG13 ILE 56 - QE MET 74 far 0 63 0 - 7.5-8.5 QD1 ILE 8 - QE MET 74 far 0 73 0 - 7.9-8.5 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 = 0.99: HG12 ILE 76 + QE MET 74 OK 99 99 100 100 3.9-4.6 2.1/9604=99...(16) Violated in 0 structures by 0.00 A. Peak 9607 from cnoeabs.peaks (3.17, 2.00, 17.28 ppm; 4.76 A): 1 out of 1 assignment used, quality = 0.84: HD3 ARG 46 + QE MET 74 OK 84 85 100 98 2.5-4.8 1.8/9608=85...(8) Violated in 1 structures by 0.00 A. Peak 9608 from cnoeabs.peaks (3.33, 2.00, 17.28 ppm; 4.47 A increased from 4.21 A): 1 out of 1 assignment used, quality = 0.96: HD2 ARG 46 + QE MET 74 OK 96 99 100 97 3.3-4.4 1.8/9607=71...(8) Violated in 0 structures by 0.00 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 2.3-2.8 8951=69, 3.9/9602=52...(17) Violated in 0 structures by 0.00 A. Peak 9610 from cnoeabs.peaks (3.87, 2.00, 17.28 ppm; 3.75 A increased from 3.34 A): 2 out of 7 assignments used, quality = 0.98: HA GLU 43 + QE MET 74 OK 96 99 100 97 2.8-3.9 2.9/12303=62...(12) HA ALA 71 + QE MET 74 OK 58 79 75 98 3.1-4.3 10597/9605=37, 12173=34...(20) HA LYS 40 - QE MET 74 far 0 99 0 - 4.1-5.0 HA LEU 38 - QE MET 74 far 0 100 0 - 6.0-6.5 HA ALA 67 - QE MET 74 far 0 91 0 - 6.6-7.8 HA GLU 35 - QE MET 74 far 0 98 0 - 7.4-8.4 HB3 SER 49 - QE MET 74 far 0 94 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 9611 from cnoeabs.peaks (3.85, 2.62, 33.04 ppm; 5.32 A increased from 5.00 A): 1 out of 9 assignments used, quality = 1.00: HA ALA 71 + HG3 MET 74 OK 100 100 100 100 3.1-5.3 9551/1.8=94, 9552=86...(15) HA GLU 43 - HG3 MET 74 far 7 71 10 - 5.2-7.0 HA ALA 67 - HB VAL 58 far 0 66 0 - 7.5-7.9 HA LYS 40 - HG3 MET 74 far 0 96 0 - 7.7-9.4 HA ALA 67 - HG3 MET 74 far 0 100 0 - 7.7-10.6 HA LEU 38 - HG3 MET 74 far 0 87 0 - 8.6-11.3 HA GLU 35 - HG3 MET 74 far 0 63 0 - 9.1-12.1 HA GLU 35 - HB VAL 58 far 0 35 0 - 9.1-10.3 HB3 SER 49 - HG3 MET 74 far 0 100 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. Peak 9612 from cnoeabs.peaks (4.16, 2.53, 33.04 ppm; 5.93 A increased from 5.58 A): 1 out of 2 assignments used, quality = 0.99: HA LYS 73 + HG2 MET 74 OK 99 99 100 100 5.0-6.0 3.6/7228=95, 4.8/3330=80...(11) HA GLN 72 - HG2 MET 74 far 0 99 0 - 6.3-7.0 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 6 assignments used, quality = 0.99: HA ALA 71 + HG2 MET 74 OK 99 99 100 100 3.5-4.5 9551=97, 9611/1.8=72...(12) HA LYS 40 - HG2 MET 74 far 0 82 0 - 8.3-9.7 HA ALA 67 - HG2 MET 74 far 0 96 0 - 8.4-9.5 HA LYS 68 - HG2 MET 74 far 0 73 0 - 8.7-9.5 HA LEU 38 - HG2 MET 74 far 0 65 0 - 9.4-10.6 HB3 SER 49 - HG2 MET 74 far 0 93 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 9614 from cnoeabs.peaks (0.80, 2.53, 33.04 ppm; 4.53 A): 2 out of 8 assignments used, quality = 1.00: QD1 ILE 76 + HG2 MET 74 OK 100 100 100 100 3.2-4.3 9604/3.4=84...(20) QD2 LEU 70 + HG2 MET 74 OK 46 98 70 67 3.8-5.0 ~10276=25...(8) QD2 LEU 42 - HG2 MET 74 far 0 79 0 - 5.1-6.1 QD1 LEU 70 - HG2 MET 74 far 0 92 0 - 5.7-6.6 QD1 LEU 6 - HG2 MET 74 far 0 85 0 - 8.3-9.5 QD2 LEU 38 - HG2 MET 74 far 0 82 0 - 8.8-9.7 QG1 VAL 54 - HG2 MET 74 far 0 70 0 - 8.9-10.2 QG2 ILE 52 - HG2 MET 74 far 0 95 0 - 9.3-10.5 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 3 assignments used, quality = 0.99: QD1 LEU 42 + HG2 MET 74 OK 99 100 100 100 3.6-4.5 9605/3.4=63...(20) QG2 VAL 78 - HG2 MET 74 far 0 84 0 - 7.2-8.0 QD1 ILE 56 - HG2 MET 74 far 0 98 0 - 7.4-8.2 Violated in 1 structures by 0.00 A. Peak 9616 from cnoeabs.peaks (1.41, 4.00, 56.72 ppm; 5.77 A): 2 out of 3 assignments used, quality = 0.91: HG13 ILE 76 + HA GLU 75 OK 76 79 100 96 5.0-5.4 4.5/7248=87, 3.8/9624=34...(5) QB ALA 71 + HA GLU 75 OK 61 100 65 94 5.8-6.2 5.0/10833=69...(4) HB2 LEU 70 - HA GLU 75 far 0 59 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 9619 from cnoeabs.peaks (4.15, 4.00, 56.72 ppm; 4.40 A): 1 out of 2 assignments used, quality = 0.99: HA GLN 72 + HA GLU 75 OK 99 100 100 100 3.4-4.3 10833=96, 9650/7248=56...(8) HA LYS 73 - HA GLU 75 far 0 88 0 - 5.1-5.6 Violated in 0 structures by 0.00 A. Peak 9621 from cnoeabs.peaks (4.17, 2.17, 36.71 ppm; 5.44 A): 3 out of 5 assignments used, quality = 0.79: HA LYS 73 + HG2 GLU 75 OK 55 100 95 58 4.6-6.6 9618/5.0=29...(3) HA GLN 72 + HG2 GLU 75 OK 37 94 45 87 5.2-7.7 10833/4.0=71...(4) HA LYS 73 + HG3 GLU 75 OK 26 100 50 53 4.6-6.5 9618/5.0=29...(3) HA GLN 72 - HG3 GLU 75 far 0 94 0 - 6.0-7.6 HA LYS 47 - HG2 GLU 43 far 0 31 0 - 8.8-10.4 Violated in 0 structures by 0.00 A. Peak 9622 from cnoeabs.peaks (4.40, 2.17, 36.71 ppm; 5.58 A): 2 out of 8 assignments used, quality = 1.00: HA MET 74 + HG2 GLU 75 OK 96 100 100 96 3.3-5.9 3.6/7243=46, 10865=36...(10) HA MET 74 + HG3 GLU 75 OK 95 100 100 95 3.3-5.7 9624/4.0=36, 9623/3.0=35...(11) HA ILE 76 - HG3 GLU 75 far 0 82 0 - 6.3-7.0 HA ILE 76 - HG2 GLU 75 far 0 82 0 - 6.4-6.8 HA MET 74 - HG2 GLU 43 far 0 46 0 - 7.3-9.6 HA VAL 32 - HG2 GLU 35 far 0 47 0 - 9.2-10.7 HA VAL 32 - HG3 GLU 35 far 0 47 0 - 9.4-10.9 HA ILE 76 - HG2 GLU 43 far 0 32 0 - 9.9-11.6 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 97 99 100 97 5.6-5.8 ~9625=59, 9624/2.9=46...(7) HA ILE 76 + HB2 GLU 75 OK 70 71 100 98 4.6-5.0 ~7248=75, ~3380=73...(6) HA GLN 50 - HB2 GLU 75 far 0 100 0 - 9.3-11.4 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 5.1-5.1 3.0/9625=71, ~7231=50...(10) HA ILE 76 + HA GLU 75 OK 86 87 100 99 4.4-4.5 3.0/7248=95, ~7247=51...(6) 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 3 assignments used, quality = 1.00: H MET 74 + HA GLU 75 OK 100 100 100 100 4.4-4.7 7231/2.9=89...(12) H VAL 78 - HA GLU 75 far 0 100 0 - 7.0-7.6 H SER 49 - HA GLU 75 far 0 87 0 - 9.9-10.9 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 4.0-4.3 10898=95, 7274/9676=76...(13) H SER 49 + QG2 ILE 76 OK 21 87 25 96 4.6-6.0 3.9/9065=65, 3.9/9071=49...(9) H MET 74 - QG2 ILE 76 far 0 100 0 - 6.0-6.2 Violated in 0 structures by 0.00 A. Peak 9627 from cnoeabs.peaks (8.04, 0.88, 17.57 ppm; 5.53 A): 1 out of 5 assignments used, quality = 0.91: H ARG 46 + QG2 ILE 76 OK 91 91 100 100 3.7-4.7 3.0/9025=89, 10614=87...(20) H GLU 75 - QG2 ILE 76 far 0 73 0 - 5.8-6.0 H LYS 39 - QG2 ILE 76 far 0 59 0 - 9.1-9.5 H SER 102 - QG2 ILE 76 far 0 96 0 - 9.5-14.1 H GLY 101 - QG2 ILE 76 far 0 91 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 9628 from cnoeabs.peaks (8.50, 0.88, 17.57 ppm; 4.95 A): 1 out of 5 assignments used, quality = 0.98: H VAL 54 + QG2 ILE 76 OK 98 98 100 100 3.9-4.5 6897/11070=80...(12) H LYS 53 - QG2 ILE 76 far 0 65 0 - 5.6-6.3 H ARG 79 - QG2 ILE 76 far 0 100 0 - 6.0-6.3 H ASN 51 - QG2 ILE 76 far 0 75 0 - 6.8-7.7 H LEU 2 - QG2 ILE 76 far 0 100 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 9629 from cnoeabs.peaks (8.78, 0.88, 17.57 ppm; 5.54 A): 0 out of 0 assignments used, quality = 0.00: Peak 9630 from cnoeabs.peaks (8.03, 0.80, 13.65 ppm; 4.35 A): 1 out of 1 assignment used, quality = 0.99: H ARG 46 + QD1 ILE 76 OK 99 99 100 100 2.9-4.2 3.0/9639=70, 9028=61...(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 = 0.80: H GLU 95 + HG2 ARG 91 OK 72 94 100 77 4.1-5.9 7542/10040=39...(5) H ILE 93 + HG2 ARG 91 OK 27 95 30 95 5.5-7.0 7472/7459=78...(3) Violated in 0 structures by 0.00 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 3.8-4.5 9222/11070=83...(13) 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 4.2-4.6 3.2/10906=84...(16) HA VAL 54 - QG2 ILE 76 far 0 91 0 - 5.7-6.2 HA TYR 4 - QG2 ILE 76 far 0 63 0 - 8.5-8.9 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 3.8-5.0 9200/11070=80...(9) 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 = 0.97: HA ASP 77 + QG2 ILE 76 OK 90 90 100 100 4.0-4.3 3.0/7264=90, 9676=85...(23) HA PHE 45 + QG2 ILE 76 OK 74 82 90 99 5.0-5.5 3.6/10614=65...(10) 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 = 0.99: HB2 SER 49 + QG2 ILE 76 OK 89 100 90 100 3.6-4.7 9065=95, 1.8/9071=49...(13) HA ARG 46 + QG2 ILE 76 OK 89 90 100 100 2.7-3.6 9025=84, 3.0/10614=51...(21) HA LEU 70 - QG2 ILE 76 far 0 73 0 - 8.1-8.8 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 3 assignments used, quality = 1.00: HA ARG 46 + QD1 ILE 76 OK 100 100 100 100 2.9-4.1 9025/3.2=52, 3.0/9630=52...(21) HB2 SER 49 - QD1 ILE 76 far 0 95 0 - 4.8-6.3 HA LYS 66 - QD1 ILE 76 far 0 100 0 - 9.6-10.5 Violated in 3 structures by 0.02 A. Peak 9640 from cnoeabs.peaks (4.04, 1.09, 26.75 ppm; 5.78 A): 3 out of 5 assignments used, quality = 0.93: HA ARG 46 + HG12 ILE 76 OK 69 70 100 100 4.7-5.9 ~9630=68, 4.1/10176=67...(18) HA GLU 75 + HG12 ILE 76 OK 59 59 100 100 4.3-4.5 3.5/7256=95, ~9888=65...(10) HA GLU 95 + HG2 ARG 91 OK 40 88 55 82 5.4-7.0 3.0/9631=53...(6) HB2 SER 49 - HG12 ILE 76 poor 19 94 20 - 5.5-7.2 HA LEU 70 - HG12 ILE 76 far 0 92 0 - 6.9-7.8 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 = 0.97: QD PHE 45 + QD1 ILE 76 OK 97 98 100 99 3.7-4.7 2.5/9669=86...(13) Violated in 1 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 = 0.98: QG2 VAL 78 + HB ILE 76 OK 89 90 100 100 3.6-4.1 10197=71, 2.1/10289=56...(16) QD1 LEU 42 + HB ILE 76 OK 83 99 85 100 4.0-4.3 12014/10834=48...(20) QD1 ILE 56 - HB ILE 76 far 0 99 0 - 5.3-5.6 QD1 ILE 52 - HB ILE 76 far 0 100 0 - 6.6-7.7 HG13 ILE 56 - HB ILE 76 far 0 96 0 - 7.8-8.3 QD2 LEU 6 - HB ILE 76 far 0 98 0 - 9.2-9.6 Violated in 0 structures by 0.00 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 2.9-3.9 2.1/10834=90, 10836=90...(19) HB3 SER 49 - HB ILE 76 far 0 82 0 - 6.3-8.2 HA LYS 68 - HB ILE 76 far 0 87 0 - 6.7-7.2 HA ALA 67 - HB ILE 76 far 0 87 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 9651 from cnoeabs.peaks (3.85, 0.88, 17.57 ppm; 4.61 A increased from 4.34 A): 1 out of 7 assignments used, quality = 1.00: HA ALA 71 + QG2 ILE 76 OK 100 100 100 100 4.1-4.9 10836/2.1=84, ~10834=58...(19) HB3 SER 49 - QG2 ILE 76 far 15 100 15 - 3.4-5.0 HA GLU 43 - QG2 ILE 76 far 0 73 0 - 5.6-6.5 HA ALA 67 - QG2 ILE 76 far 0 100 0 - 8.4-9.0 HA LEU 38 - QG2 ILE 76 far 0 88 0 - 8.6-8.9 HA LYS 40 - QG2 ILE 76 far 0 97 0 - 9.1-9.5 HA2 GLY 101 - QG2 ILE 76 far 0 96 0 - 9.1-14.2 Violated in 3 structures by 0.03 A. Peak 9652 from cnoeabs.peaks (3.19, 0.88, 17.57 ppm; 5.20 A): 2 out of 3 assignments used, quality = 0.99: HB2 ASP 77 + QG2 ILE 76 OK 98 98 100 100 4.2-4.8 7269/7264=81...(12) HD3 ARG 46 + QG2 ILE 76 OK 75 100 75 100 4.1-6.0 9020/3452=80...(25) HB2 HIS 106 - QG2 ILE 76 far 0 99 0 - 9.8-21.2 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 3.0-3.7 2.5/9632=69...(18) HB3 PHE 45 + QG2 ILE 76 OK 79 79 100 100 3.4-4.0 2.5/9632=69, ~9669=62...(17) HE3 LYS 47 - QG2 ILE 76 far 0 90 0 - 7.9-10.8 HE2 LYS 47 - QG2 ILE 76 far 0 90 0 - 8.5-10.9 Violated in 0 structures by 0.00 A. Peak 9654 from cnoeabs.peaks (1.93, 0.88, 17.57 ppm; 4.94 A increased from 4.16 A): 3 out of 8 assignments used, quality = 0.95: HB3 MET 74 + QG2 ILE 76 OK 73 73 100 100 4.5-4.9 9659/2.1=68, ~9664=52...(21) HB3 ARG 46 + QG2 ILE 76 OK 67 79 85 100 4.4-5.6 3.0/9025=79...(31) HG LEU 42 + QG2 ILE 76 OK 45 70 65 100 5.0-5.4 3.0/10883=70, ~10599=49...(19) HB3 LYS 47 - QG2 ILE 76 far 0 100 0 - 7.3-7.9 HB2 GLU 43 - QG2 ILE 76 far 0 87 0 - 7.7-8.5 HB2 LYS 73 - QG2 ILE 76 far 0 82 0 - 8.1-9.4 HB2 LYS 47 - QG2 ILE 76 far 0 61 0 - 8.2-8.9 HB3 LYS 73 - QG2 ILE 76 far 0 84 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 9655 from cnoeabs.peaks (1.78, 0.88, 17.57 ppm; 4.38 A): 2 out of 6 assignments used, quality = 1.00: HG3 ARG 46 + QG2 ILE 76 OK 99 99 100 100 2.4-4.4 9021/3.2=62...(32) HB VAL 78 + QG2 ILE 76 OK 55 100 55 100 4.4-4.9 2.1/10906=86, 10287=64...(16) HB2 LEU 42 - QG2 ILE 76 far 0 79 0 - 5.3-5.6 HB ILE 56 - QG2 ILE 76 far 0 96 0 - 7.9-8.5 HB2 LYS 39 - QG2 ILE 76 far 0 92 0 - 9.2-9.9 HB2 GLU 104 - QG2 ILE 76 far 0 75 0 - 9.5-17.4 Violated in 0 structures by 0.00 A. Peak 9657 from cnoeabs.peaks (3.21, 1.64, 40.34 ppm; 6.50 A increased from 5.81 A): 2 out of 2 assignments used, quality = 1.00: HB2 ASP 77 + HB ILE 76 OK 100 100 100 100 6.0-6.6 7269/7263=97...(12) HD3 ARG 46 + HB ILE 76 OK 54 98 55 100 5.4-7.7 9020/3.2=95, 1.8/9015=89...(22) Violated in 0 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 3.7-4.2 9644/7254=64...(24) HB2 ARG 46 - HB ILE 76 far 4 82 5 - 5.1-7.8 HB3 ARG 46 - HB ILE 76 far 0 98 0 - 6.8-7.6 HB2 LYS 73 - HB ILE 76 far 0 99 0 - 7.5-9.0 HB3 LYS 73 - HB ILE 76 far 0 99 0 - 8.8-9.5 QE MET 1 - HB ILE 76 far 0 79 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 9660 from cnoeabs.peaks (1.78, 1.64, 40.34 ppm; 5.69 A increased from 5.06 A): 2 out of 4 assignments used, quality = 1.00: HB VAL 78 + HB ILE 76 OK 100 100 100 100 5.3-5.7 2.1/10197=99, ~10906=92...(9) HG3 ARG 46 + HB ILE 76 OK 84 99 85 100 4.5-6.5 9021/3.2=89...(29) HB2 LEU 42 - HB ILE 76 far 0 79 0 - 6.1-6.5 HB ILE 56 - HB ILE 76 far 0 96 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 9661 from cnoeabs.peaks (4.05, 1.64, 40.34 ppm; 6.13 A): 1 out of 3 assignments used, quality = 0.81: HA ARG 46 + HB ILE 76 OK 81 81 100 100 5.4-6.2 9025/2.1=74, ~10614=68...(18) HB2 SER 49 - HB ILE 76 far 15 98 15 - 6.0-7.6 HA LEU 70 - HB ILE 76 far 0 84 0 - 7.6-8.5 Violated in 1 structures by 0.00 A. Peak 9663 from cnoeabs.peaks (2.18, 1.09, 26.75 ppm; 5.21 A): 4 out of 9 assignments used, quality = 1.00: HB3 GLU 75 + HG12 ILE 76 OK 98 100 100 98 4.3-4.8 9888/1.8=82, 4.1/7256=79...(6) HB2 GLU 95 + HG2 ARG 91 OK 50 82 75 80 3.3-5.8 2.9/10040=37...(8) HB3 GLU 95 + HG2 ARG 91 OK 45 80 70 80 3.6-6.1 2.9/10040=37...(8) HG2 GLU 75 + HG12 ILE 76 OK 28 99 35 80 5.3-6.7 ~9888=53, 3401/7256=35...(5) HG3 GLU 75 - HG12 ILE 76 poor 18 99 25 73 5.3-6.8 ~9888=53, 3401/7256=18...(5) HB2 GLN 72 - HG12 ILE 76 far 0 93 0 - 7.1-7.6 HG2 GLU 43 - HG12 ILE 76 far 0 100 0 - 7.4-9.4 HG2 GLU 99 - HG2 ARG 91 far 0 53 0 - 8.7-11.6 HG2 GLU 98 - HG2 ARG 91 far 0 65 0 - 9.6-11.8 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 10 assignments used, quality = 0.98: HB2 MET 74 + HG12 ILE 76 OK 98 98 100 100 2.4-3.0 1.8/9665=65...(19) HB3 LYS 94 - HG2 ARG 91 far 0 75 0 - 5.6-7.5 HB3 GLU 88 - HG2 ARG 91 far 0 73 0 - 5.6-7.8 HB2 GLU 98 - HG2 ARG 91 far 0 95 0 - 8.1-10.4 HB3 GLU 43 - HG12 ILE 76 far 0 96 0 - 9.2-9.8 HG12 ILE 93 - HG2 ARG 91 far 0 92 0 - 9.3-10.6 HB3 GLU 98 - HG2 ARG 91 far 0 95 0 - 9.4-11.9 HB3 GLU 99 - HG2 ARG 91 far 0 92 0 - 9.5-12.9 HB2 GLU 99 - HG2 ARG 91 far 0 95 0 - 9.8-13.1 HB2 MET 21 - HG2 ARG 91 far 0 96 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 9665 from cnoeabs.peaks (1.96, 1.09, 26.75 ppm; 4.14 A): 2 out of 7 assignments used, quality = 1.00: HB3 MET 74 + HG12 ILE 76 OK 100 100 100 100 2.0-2.6 1.8/9664=70...(23) HB2 ARG 46 + HG12 ILE 76 OK 29 96 30 100 3.7-6.5 3.0/10176=41, ~9639=38...(25) HB2 LYS 94 - HG2 ARG 91 far 6 57 10 - 4.4-7.6 HB3 ARG 46 - HG12 ILE 76 far 0 100 0 - 5.4-6.3 HB2 LYS 73 - HG12 ILE 76 far 0 100 0 - 6.3-8.0 HB3 LYS 73 - HG12 ILE 76 far 0 100 0 - 7.2-8.0 HG3 GLU 88 - HG2 ARG 91 far 0 89 0 - 7.8-9.6 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 = 0.95: HG3 ARG 46 + HG12 ILE 76 OK 92 96 95 100 3.2-5.2 9021/2.1=82...(29) HG2 ARG 46 + HG12 ILE 76 OK 40 88 45 100 3.5-6.1 9023/2.1=66...(25) HB2 LEU 42 - HG12 ILE 76 far 0 100 0 - 5.9-6.3 HB2 LYS 90 - HG2 ARG 91 far 0 94 0 - 6.2-6.8 HB3 LYS 90 - HG2 ARG 91 far 0 66 0 - 6.6-7.6 HB2 GLU 88 - HG2 ARG 91 far 0 95 0 - 6.9-8.7 HB VAL 78 - HG12 ILE 76 far 0 90 0 - 7.6-8.1 HB ILE 93 - HG2 ARG 91 far 0 96 0 - 7.6-8.6 HB2 LYS 39 - HG12 ILE 76 far 0 100 0 - 9.5-10.3 HB2 LYS 68 - HG12 ILE 76 far 0 65 0 - 9.6-10.3 Violated in 1 structures by 0.01 A. Peak 9667 from cnoeabs.peaks (0.69, 1.09, 26.75 ppm; 4.67 A increased from 4.15 A): 1 out of 7 assignments used, quality = 1.00: QD1 LEU 42 + HG12 ILE 76 OK 100 100 100 100 4.3-4.4 ~12083=57, 9605/9606=56...(20) QG2 VAL 78 - HG12 ILE 76 far 0 70 0 - 5.3-6.0 QG2 VAL 54 - HG12 ILE 76 far 0 71 0 - 6.0-6.9 QD1 ILE 56 - HG12 ILE 76 far 0 92 0 - 6.8-7.3 QD1 ILE 52 - HG12 ILE 76 far 0 100 0 - 7.5-8.3 QG1 VAL 5 - HG2 ARG 91 far 0 53 0 - 9.4-10.9 HG13 ILE 56 - HG12 ILE 76 far 0 82 0 - 9.6-10.2 Violated in 0 structures by 0.00 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 2.1-3.2 10836/3.2=59...(20) HA GLU 43 + QD1 ILE 76 OK 84 88 100 96 3.7-4.3 10171/9020=42...(15) HB3 SER 49 - QD1 ILE 76 far 0 100 0 - 4.8-6.4 HA LYS 40 - QD1 ILE 76 far 0 100 0 - 7.0-7.3 HA ALA 67 - QD1 ILE 76 far 0 100 0 - 7.3-8.0 HA LEU 38 - QD1 ILE 76 far 0 97 0 - 7.3-7.6 HA GLU 35 - QD1 ILE 76 far 0 82 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 9669 from cnoeabs.peaks (2.97, 0.80, 13.65 ppm; 3.77 A): 1 out of 6 assignments used, quality = 0.91: HB2 PHE 45 + QD1 ILE 76 OK 91 99 100 92 3.1-3.8 2.5/9642=47, 4.5/9630=34...(17) HB3 PHE 45 - QD1 ILE 76 far 0 100 0 - 4.2-4.9 HE3 LYS 73 - QD1 ILE 76 far 0 84 0 - 6.2-10.5 HE2 LYS 73 - QD1 ILE 76 far 0 91 0 - 7.5-10.4 HE3 LYS 47 - QD1 ILE 76 far 0 100 0 - 7.6-10.3 HE2 LYS 47 - QD1 ILE 76 far 0 100 0 - 7.9-10.6 Violated in 1 structures by 0.00 A. Peak 9670 from cnoeabs.peaks (1.97, 0.80, 13.65 ppm; 3.41 A): 4 out of 10 assignments used, quality = 1.00: HB3 MET 74 + QD1 ILE 76 OK 98 99 100 99 2.0-2.5 4.2/9604=40, 9665/2.1=36...(21) QE MET 74 + QD1 ILE 76 OK 75 77 100 98 1.9-2.7 9604=69, 9606/2.1=27...(18) HB2 ARG 46 + QD1 ILE 76 OK 65 100 65 99 1.9-4.4 3.0/9639=44, 3.0/9021=39...(27) HB3 ARG 46 + QD1 ILE 76 OK 44 98 45 99 3.3-4.2 3.0/9639=44, 3.0/9021=39...(27) HB2 LYS 73 - QD1 ILE 76 far 0 97 0 - 5.9-7.7 HB2 GLU 44 - QD1 ILE 76 far 0 79 0 - 6.5-7.3 HB3 LYS 73 - QD1 ILE 76 far 0 96 0 - 6.9-7.8 HB3 GLU 44 - QD1 ILE 76 far 0 79 0 - 7.4-8.2 HB2 LYS 47 - QD1 ILE 76 far 0 100 0 - 8.0-9.0 QE MET 1 - QD1 ILE 76 far 0 100 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 9672 from cnoeabs.peaks (4.42, 3.21, 40.23 ppm; 5.68 A increased from 5.05 A): 1 out of 4 assignments used, quality = 0.99: HA ILE 76 + HB2 ASP 77 OK 99 99 100 100 5.1-5.7 10770/1.8=97...(8) HA GLN 50 - HB2 ASP 77 far 0 90 0 - 8.2-9.7 HA HIS 106 - HB2 ASP 77 far 0 98 0 - 9.4-23.4 HA GLU 48 - HB2 ASP 77 far 0 99 0 - 9.9-11.6 Violated in 1 structures by 0.00 A. Peak 9673 from cnoeabs.peaks (5.02, 3.21, 40.23 ppm; 4.31 A): 1 out of 1 assignment used, quality = 0.88: HA LYS 53 + HB2 ASP 77 OK 88 91 100 97 3.3-4.1 3.9/9674=51, 9678/1.8=49...(9) Violated in 0 structures by 0.00 A. Peak 9674 from cnoeabs.peaks (1.44, 3.21, 40.23 ppm; 4.36 A): 1 out of 6 assignments used, quality = 0.78: HG2 LYS 53 + HB2 ASP 77 OK 78 88 90 98 2.9-4.7 12122=72, 3.9/9673=53...(8) HD2 LYS 53 - HB2 ASP 77 far 9 93 10 - 4.5-6.5 HG3 LYS 53 - HB2 ASP 77 far 4 81 5 - 4.7-6.4 QB ALA 71 - HB2 ASP 77 far 0 77 0 - 6.5-7.1 HG13 ILE 52 - HB2 ASP 77 far 0 95 0 - 7.3-8.7 HG13 ILE 76 - HB2 ASP 77 far 0 100 0 - 7.5-8.0 Violated in 3 structures by 0.05 A. Peak 9675 from cnoeabs.peaks (1.44, 4.57, 54.07 ppm; 5.42 A increased from 5.10 A): 1 out of 6 assignments used, quality = 0.74: QB ALA 71 + HA ASP 77 OK 74 77 100 97 4.7-5.4 9683/7274=83...(5) HG2 LYS 53 - HA ASP 77 far 0 88 0 - 5.7-7.4 HG13 ILE 76 - HA ASP 77 far 0 100 0 - 6.7-6.8 HD2 LYS 53 - HA ASP 77 far 0 93 0 - 7.0-9.1 HG3 LYS 53 - HA ASP 77 far 0 81 0 - 7.5-9.0 HG13 ILE 52 - HA ASP 77 far 0 95 0 - 9.2-10.5 Violated in 1 structures by 0.00 A. Peak 9676 from cnoeabs.peaks (0.87, 4.57, 54.07 ppm; 4.55 A): 1 out of 4 assignments used, quality = 0.99: QG2 ILE 76 + HA ASP 77 OK 99 99 100 100 4.0-4.3 7264/3.0=77...(23) QD1 LEU 103 - HA ASP 77 far 0 99 0 - 7.9-15.8 QD1 LEU 38 - HA ASP 77 far 0 97 0 - 8.9-9.4 QD1 LEU 2 - HA ASP 77 far 0 99 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 9677 from cnoeabs.peaks (0.75, 4.57, 54.07 ppm; 4.60 A): 2 out of 7 assignments used, quality = 1.00: QG1 VAL 78 + HA ASP 77 OK 100 100 100 100 3.8-4.0 4.0/7274=78, 2.1/8181=68...(11) QG2 VAL 78 + HA ASP 77 OK 84 84 100 100 4.0-4.4 4.0/7274=78, 8181=73...(10) QG2 ILE 52 - HA ASP 77 far 0 75 0 - 5.4-6.6 QD2 LEU 42 - HA ASP 77 far 0 93 0 - 6.2-6.6 QG1 VAL 54 - HA ASP 77 far 0 97 0 - 7.2-7.8 QD1 LEU 6 - HA ASP 77 far 0 88 0 - 9.1-9.6 HG13 ILE 56 - HA ASP 77 far 0 71 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 9678 from cnoeabs.peaks (5.04, 2.63, 40.23 ppm; 5.06 A increased from 4.50 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 53 + HB3 ASP 77 OK 100 100 100 100 4.3-4.9 9673/1.8=80...(11) Violated in 0 structures by 0.00 A. Peak 9679 from cnoeabs.peaks (8.47, 3.21, 40.23 ppm; 5.91 A): 3 out of 4 assignments used, quality = 0.98: H VAL 54 + HB2 ASP 77 OK 93 93 100 100 4.3-4.9 3.6/9673=88, 9242=88...(10) H LYS 53 + HB2 ASP 77 OK 55 100 55 100 5.7-6.8 3.0/9673=94, 5.0/9674=70...(6) H ARG 79 + HB2 ASP 77 OK 44 81 60 91 5.8-6.5 7281/4.4=62...(4) H LEU 2 - HB2 ASP 77 far 0 61 0 - 8.5-10.1 Violated in 0 structures by 0.00 A. Peak 9680 from cnoeabs.peaks (8.48, 2.63, 40.23 ppm; 5.00 A): 1 out of 5 assignments used, quality = 0.99: H ALA 67 + HB3 ASP 65 OK 99 99 100 100 4.7-5.0 7077/7067=89...(12) H VAL 54 - HB3 ASP 77 far 5 100 5 - 5.2-6.2 H LYS 53 - HB3 ASP 77 far 0 94 0 - 6.5-7.4 H ARG 79 - HB3 ASP 77 far 0 97 0 - 7.2-7.8 H LEU 2 - HB3 ASP 77 far 0 87 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 9682 from cnoeabs.peaks (4.55, 1.78, 35.29 ppm; 5.96 A increased from 5.02 A): 1 out of 2 assignments used, quality = 0.90: HA ASP 77 + HB VAL 78 OK 90 90 100 100 5.8-5.9 8181/2.1=94, 9244/2.1=93...(9) HA PHE 45 - HB VAL 78 far 0 82 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 9685 from cnoeabs.peaks (1.40, 1.78, 35.29 ppm; 3.91 A increased from 3.68 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 71 + HB VAL 78 OK 100 100 100 100 3.6-3.8 10835=98, 10210/2.1=80...(15) HB2 LEU 70 - HB VAL 78 far 0 65 0 - 8.0-8.7 HG13 ILE 76 - HB VAL 78 far 0 73 0 - 8.0-8.4 HB3 ARG 30 - HB VAL 78 far 0 70 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 9686 from cnoeabs.peaks (1.55, 1.78, 35.29 ppm; 4.72 A): 1 out of 5 assignments used, quality = 0.92: HG12 ILE 56 + HB VAL 78 OK 92 94 100 98 2.5-3.2 9689/3.0=59, 2579=41...(11) HG3 ARG 79 - HB VAL 78 far 5 97 5 - 4.8-7.0 HG2 ARG 79 - HB VAL 78 far 0 96 0 - 6.3-7.6 HG LEU 6 - HB VAL 78 far 0 87 0 - 6.7-7.2 HD3 LYS 53 - HB VAL 78 far 0 100 0 - 7.2-9.4 Violated in 0 structures by 0.00 A. Peak 9687 from cnoeabs.peaks (3.82, 1.78, 35.29 ppm; 5.99 A increased from 5.63 A): 1 out of 3 assignments used, quality = 0.94: HA LYS 68 + HB VAL 78 OK 94 95 100 99 5.3-6.1 8509/2.1=97...(4) HA ALA 71 - HB VAL 78 far 0 88 0 - 6.4-6.5 HA ALA 67 - HB VAL 78 far 0 75 0 - 7.4-8.0 Violated in 1 structures by 0.01 A. Peak 9688 from cnoeabs.peaks (1.41, 5.19, 58.80 ppm; 4.96 A increased from 4.66 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 71 + HA VAL 78 OK 100 100 100 100 4.6-4.9 10210/3.2=88...(13) HG13 ILE 76 - HA VAL 78 far 0 84 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 9689 from cnoeabs.peaks (1.55, 5.19, 58.80 ppm; 5.08 A increased from 4.78 A): 1 out of 7 assignments used, quality = 0.92: HG12 ILE 56 + HA VAL 78 OK 92 94 100 98 4.5-5.3 9686/3.0=73...(10) HG3 ARG 79 - HA VAL 78 far 10 97 10 - 4.8-6.5 HD3 LYS 53 - HA VAL 78 far 5 100 5 - 4.9-7.3 HG2 ARG 79 - HA VAL 78 far 0 96 0 - 5.8-6.7 HG LEU 6 - HA VAL 78 far 0 87 0 - 7.9-8.7 HB3 LEU 103 - HA VAL 78 far 0 84 0 - 9.5-19.0 HB2 LEU 3 - HA VAL 78 far 0 100 0 - 9.8-10.8 Violated in 2 structures by 0.01 A. Peak 9690 from cnoeabs.peaks (1.63, 5.19, 58.80 ppm; 4.90 A): 2 out of 5 assignments used, quality = 0.91: HB2 ARG 79 + HA VAL 78 OK 81 82 100 98 4.1-4.4 4.1/7284=80...(11) HB3 ARG 79 + HA VAL 78 OK 52 82 65 98 5.0-5.7 4.1/7284=80...(9) HB ILE 76 - HA VAL 78 far 0 95 0 - 5.4-5.8 HB3 LEU 6 - HA VAL 78 far 0 91 0 - 9.1-9.7 HD3 LYS 68 - HA VAL 78 far 0 87 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 9693 from cnoeabs.peaks (0.41, 1.60, 31.20 ppm; 4.18 A): 1 out of 2 assignments used, quality = 0.90: QD1 LEU 55 + HB2 ARG 79 OK 90 91 100 99 2.1-4.2 9252/1.8=76...(10) HG2 ARG 81 - HB2 ARG 79 far 0 98 0 - 4.7-8.6 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 = 0.80: QD1 LEU 55 + HB3 ARG 79 OK 71 71 100 100 1.9-3.7 9693/1.8=87, 9252=63...(13) HG2 ARG 81 + HB3 ARG 79 OK 30 85 70 51 3.0-6.9 9716/7300=17...(7) 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 8 assignments used, quality = 0.97: QD1 LEU 55 + HG2 ARG 79 OK 93 99 100 94 2.1-3.8 9252/3.0=55...(9) QD1 LEU 55 + HG3 ARG 79 OK 57 99 60 95 2.1-4.6 9252/3.0=55, 9693/3.0=46...(13) HG2 ARG 81 - HG3 ARG 79 poor 17 100 40 43 3.1-8.0 9716/7302=11, 9694/3.0=9...(10) HG2 ARG 81 - HG2 ARG 79 far 10 100 10 - 3.8-7.6 QD1 LEU 3 - HG LEU 2 far 0 47 0 - 6.2-6.8 QD1 LEU 55 - HG LEU 6 far 0 79 0 - 7.6-8.0 QD1 LEU 3 - HG2 ARG 79 far 0 65 0 - 8.4-10.4 QD1 LEU 3 - HG3 ARG 79 far 0 65 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 9696 from cnoeabs.peaks (0.41, 3.07, 43.09 ppm; 5.35 A increased from 4.50 A): 2 out of 4 assignments used, quality = 0.97: QD1 LEU 55 + HD2 ARG 79 OK 81 82 100 99 3.7-5.5 9693/3.8=77, 9252/3.8=64...(11) QD1 LEU 55 + HD3 ARG 79 OK 81 82 100 99 2.6-5.3 9693/3.8=77, 9252/3.8=64...(12) HG2 ARG 81 - HD2 ARG 79 far 9 93 10 - 5.4-9.9 HG2 ARG 81 - HD3 ARG 79 far 0 93 0 - 6.0-9.9 Violated in 0 structures by 0.00 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 4.3-5.4 3.6/12329=90...(8) 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 4.0-5.0 3.6/12328=90...(8) Violated in 0 structures by 0.00 A. Peak 9700 from cnoeabs.peaks (7.04, 3.07, 43.09 ppm; 4.00 A): 0 out of 6 assignments used, quality = 0.00: QD PHE 96 - HD3 ARG 79 poor 19 100 25 78 3.2-5.2 2.2/10912=32, ~10912=20...(10) QD PHE 96 - HD2 ARG 79 far 10 100 10 - 3.8-6.0 HZ PHE 96 - HD3 ARG 79 far 8 82 10 - 3.7-7.1 HZ PHE 96 - HD2 ARG 79 far 0 82 0 - 4.3-7.8 HZ3 TRP 92 - HD2 ARG 79 far 0 80 0 - 5.9-9.0 HZ3 TRP 92 - HD3 ARG 79 far 0 81 0 - 6.2-8.4 Violated in 13 structures by 0.15 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 3.0-3.2 9299=97, 3.8/10293=49...(16) Violated in 0 structures by 0.00 A. Peak 9702 from cnoeabs.peaks (9.19, 3.68, 69.77 ppm; 6.11 A increased from 5.43 A): 1 out of 1 assignment used, quality = 1.00: H ILE 56 + HB THR 80 OK 100 100 100 100 5.8-5.8 10914/2.1=100...(9) Violated in 0 structures by 0.00 A. Peak 9703 from cnoeabs.peaks (8.18, 3.68, 69.77 ppm; 5.60 A): 1 out of 1 assignment used, quality = 0.99: H LYS 68 + HB THR 80 OK 99 99 100 100 4.2-4.8 9529/2.1=98...(18) Violated in 0 structures by 0.00 A. Peak 9704 from cnoeabs.peaks (7.93, 3.68, 69.77 ppm; 6.50 A increased from 6.14 A): 2 out of 4 assignments used, quality = 0.96: H ASP 65 + HB THR 80 OK 84 99 85 100 6.2-6.9 7053/9724=94...(13) H GLU 69 + HB THR 80 OK 75 84 90 100 6.2-6.9 9534/2.1=73...(12) H LEU 70 - HB THR 80 far 0 73 0 - 8.2-9.1 H GLN 72 - HB THR 80 far 0 92 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 9705 from cnoeabs.peaks (8.21, 0.98, 22.13 ppm; 4.27 A): 1 out of 1 assignment used, quality = 0.91: H LYS 68 + QG2 THR 80 OK 91 91 100 100 2.5-2.7 9529=87, 3.6/9732=74...(20) Violated in 0 structures by 0.00 A. Peak 9706 from cnoeabs.peaks (7.93, 0.98, 22.13 ppm; 5.38 A): 2 out of 5 assignments used, quality = 1.00: H ASP 65 + QG2 THR 80 OK 98 98 100 100 4.7-5.2 3.6/9476=85...(17) H GLU 69 + QG2 THR 80 OK 77 77 100 100 4.6-4.8 3.6/10260=80...(18) H LEU 70 - QG2 THR 80 far 0 81 0 - 5.8-6.3 H GLN 72 - QG2 THR 80 far 0 87 0 - 6.2-6.9 H LEU 42 - QG2 THR 80 far 0 77 0 - 9.3-10.1 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 3.7-4.0 2.9/9732=92...(17) H VAL 58 + QG2 THR 80 OK 58 59 100 98 4.1-4.6 4.0/10223=67...(11) H ARG 79 - QG2 THR 80 far 0 100 0 - 4.9-5.9 H VAL 54 - QG2 THR 80 far 0 98 0 - 7.6-8.5 H VAL 32 - QG2 THR 80 far 0 88 0 - 9.2-9.6 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 4.0-4.3 3.0/3568=86...(14) HA ASP 61 - HB THR 80 far 0 99 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 9711 from cnoeabs.peaks (4.71, 0.98, 22.13 ppm; 5.54 A increased from 4.43 A): 2 out of 2 assignments used, quality = 1.00: HA ARG 79 + QG2 THR 80 OK 99 100 100 99 4.4-5.4 7298/7307=97...(3) HA LYS 82 + QG2 THR 80 OK 88 99 90 99 5.0-5.9 9486/10762=75...(7) Violated in 0 structures by 0.00 A. Peak 9712 from cnoeabs.peaks (4.34, 0.98, 22.13 ppm; 5.29 A): 2 out of 3 assignments used, quality = 0.98: HA ARG 81 + QG2 THR 80 OK 92 92 100 100 4.1-5.0 3.0/7313=96...(12) HA ASP 65 + QG2 THR 80 OK 79 79 100 100 4.6-4.9 7100/9529=61...(16) HA ASP 61 - QG2 THR 80 far 0 88 0 - 6.5-7.4 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 4.5-4.7 6915/9299=83...(8) HA LYS 82 - HA THR 80 far 0 70 0 - 6.5-6.8 HA LEU 27 - HA ILE 52 far 0 63 0 - 9.1-10.0 Violated in 0 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 4.4-4.5 3.0/7311=99, 9741=73...(15) HA ASP 65 - HA THR 80 far 0 88 0 - 8.2-8.6 HA LEU 103 - HA ILE 52 far 0 40 0 - 9.8-15.3 HA ASP 61 - HA THR 80 far 0 79 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 9717 from cnoeabs.peaks (2.89, 3.68, 69.77 ppm; 5.96 A increased from 5.30 A): 2 out of 4 assignments used, quality = 0.95: HE2 LYS 68 + HB THR 80 OK 85 90 95 100 2.9-6.3 3.6/10788=78...(16) HE3 LYS 68 + HB THR 80 OK 64 92 70 100 2.6-6.6 3.6/10788=78...(16) HE3 LYS 82 - HB THR 80 far 0 71 0 - 8.4-10.3 HE3 LYS 66 - HB THR 80 far 0 98 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 9718 from cnoeabs.peaks (1.85, 3.68, 69.77 ppm; 4.85 A): 2 out of 5 assignments used, quality = 1.00: HB3 LYS 68 + HB THR 80 OK 95 95 100 100 2.5-3.6 2.9/10788=63...(20) HB2 LYS 68 + HB THR 80 OK 91 96 95 100 3.8-5.3 10259/2.1=66...(18) HB3 LEU 57 - HB THR 80 far 0 77 0 - 8.5-9.5 HB3 LYS 66 - HB THR 80 far 0 100 0 - 8.6-9.4 HB VAL 54 - HB THR 80 far 0 75 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 9719 from cnoeabs.peaks (1.75, 3.68, 69.77 ppm; 4.56 A increased from 4.29 A): 1 out of 6 assignments used, quality = 0.99: HB ILE 56 + HB THR 80 OK 99 99 100 100 4.3-4.6 9729/2.1=95, 9321=83...(21) HD2 ARG 81 - HB THR 80 far 0 79 0 - 6.2-8.2 HB VAL 78 - HB THR 80 far 0 84 0 - 6.6-8.0 HB3 LYS 82 - HB THR 80 far 0 99 0 - 7.3-8.2 HB3 GLU 63 - HB THR 80 far 0 87 0 - 8.1-9.2 HB2 LYS 66 - HB THR 80 far 0 98 0 - 9.6-10.4 Violated in 1 structures by 0.00 A. Peak 9720 from cnoeabs.peaks (1.63, 3.68, 69.77 ppm; 4.96 A increased from 3.96 A): 3 out of 6 assignments used, quality = 1.00: HG2 LYS 68 + HB THR 80 OK 99 99 100 100 4.5-5.0 10788=94, 10256/2.1=87...(20) HD3 LYS 68 + HB THR 80 OK 70 94 75 100 3.3-5.5 3.0/10788=65, ~10256=51...(22) HD2 LYS 68 + HB THR 80 OK 56 93 60 100 3.5-5.8 10264/9724=75...(23) HB3 ARG 79 - HB THR 80 far 0 91 0 - 5.9-6.8 HB2 ARG 79 - HB THR 80 far 0 71 0 - 7.3-7.7 HB3 LEU 6 - HB THR 80 far 0 96 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 9721 from cnoeabs.peaks (1.47, 3.68, 69.77 ppm; 4.31 A): 1 out of 6 assignments used, quality = 0.99: HG LEU 64 + HB THR 80 OK 99 99 100 100 3.1-3.8 2.1/9724=93, 2.1/9723=66...(18) HB3 LEU 64 - HB THR 80 far 14 93 15 - 4.4-5.3 HD2 LYS 82 - HB THR 80 far 0 98 0 - 7.2-8.4 HG LEU 38 - HB THR 80 far 0 98 0 - 8.6-9.5 HG LEU 57 - HB THR 80 far 0 77 0 - 8.8-10.0 HG2 LYS 66 - HB THR 80 far 0 92 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 9722 from cnoeabs.peaks (1.34, 3.68, 69.77 ppm; 4.43 A increased from 3.94 A): 1 out of 5 assignments used, quality = 1.00: QB ALA 67 + HB THR 80 OK 100 100 100 100 3.8-4.6 9732/2.1=98...(15) HG3 LYS 68 - HB THR 80 far 0 99 0 - 5.4-6.1 HB2 LYS 82 - HB THR 80 far 0 100 0 - 5.9-6.7 HB2 LEU 70 - HB THR 80 far 0 77 0 - 8.9-9.7 HG12 ILE 8 - HB THR 80 far 0 87 0 - 9.3-10.5 Violated in 3 structures by 0.01 A. Peak 9723 from cnoeabs.peaks (0.84, 3.68, 69.77 ppm; 4.61 A): 1 out of 7 assignments used, quality = 0.85: QD2 LEU 64 + HB THR 80 OK 85 85 100 100 3.9-4.2 2.1/9724=98, 2.1/9721=81...(20) QD1 LEU 57 - HB THR 80 far 0 99 0 - 6.7-7.4 QD1 LEU 38 - HB THR 80 far 0 88 0 - 7.3-8.0 QD2 LEU 38 - HB THR 80 far 0 96 0 - 7.7-8.2 QD1 LEU 70 - HB THR 80 far 0 90 0 - 8.4-9.3 QD1 LEU 103 - HB THR 80 far 0 82 0 - 9.4-21.7 QG2 VAL 32 - HB THR 80 far 0 100 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 9724 from cnoeabs.peaks (0.73, 3.68, 69.77 ppm; 3.22 A): 1 out of 12 assignments used, quality = 1.00: QD1 LEU 64 + HB THR 80 OK 100 100 100 100 1.9-2.0 10244=78, 10762/2.1=65...(23) QG1 VAL 58 - HB THR 80 far 0 96 0 - 4.3-5.6 QG2 VAL 78 - HB THR 80 far 0 97 0 - 4.5-5.7 QD1 ILE 56 - HB THR 80 far 0 81 0 - 4.6-5.0 HG3 ARG 81 - HB THR 80 far 0 100 0 - 6.4-7.0 QD1 ILE 8 - HB THR 80 far 0 84 0 - 6.8-7.6 QG1 VAL 78 - HB THR 80 far 0 99 0 - 7.1-8.3 HG13 ILE 56 - HB THR 80 far 0 91 0 - 7.1-7.5 QG1 VAL 54 - HB THR 80 far 0 84 0 - 8.0-8.5 QD2 LEU 42 - HB THR 80 far 0 75 0 - 8.3-9.0 QD1 LEU 6 - HB THR 80 far 0 68 0 - 8.6-9.0 QG1 VAL 5 - HB THR 80 far 0 99 0 - 9.0-9.6 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 4.5-5.2 2.1/9719=92, 9327/2.1=87...(19) Violated in 0 structures by 0.00 A. Peak 9726 from cnoeabs.peaks (0.43, 3.68, 69.77 ppm; 6.50 A increased from 5.83 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 55 + HB THR 80 OK 100 100 100 100 6.0-6.4 9258/3.0=97...(5) HG2 ARG 81 + HB THR 80 OK 70 100 70 100 4.9-7.6 4.9/3568=86, 3.9/9710=84...(6) 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 2 assignments used, quality = 0.96: HA LYS 68 + QG2 THR 80 OK 84 85 100 99 2.8-3.5 10260=50, 2.9/9529=49...(16) HA LEU 64 + QG2 THR 80 OK 76 77 100 99 2.4-2.9 9476=55, 4.0/10762=46...(15) 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 9 assignments used, quality = 0.92: HB2 LEU 64 + QG2 THR 80 OK 92 92 100 100 4.3-5.1 3.1/10762=96...(21) HB2 GLU 69 - QG2 THR 80 far 0 70 0 - 6.3-6.6 HG2 GLU 69 - QG2 THR 80 far 0 70 0 - 6.4-7.2 HB3 LEU 38 - QG2 THR 80 far 0 92 0 - 7.1-7.9 HB3 GLU 69 - QG2 THR 80 far 0 70 0 - 7.5-7.9 HB3 GLU 35 - QG2 THR 80 far 0 98 0 - 8.9-9.8 HB3 GLU 62 - QG2 THR 80 far 0 100 0 - 9.1-9.5 HB VAL 83 - QG2 THR 80 far 0 92 0 - 9.1-9.8 HG3 GLU 104 - QG2 THR 80 far 0 100 0 - 9.7-23.7 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 1.9-2.1 2.1/9734=62, 9328=58...(21) HB VAL 78 - QG2 THR 80 far 0 73 0 - 4.3-5.2 HB3 GLU 63 - QG2 THR 80 far 0 77 0 - 6.0-6.6 HD2 ARG 81 - QG2 THR 80 far 0 88 0 - 6.0-7.9 HB3 LYS 82 - QG2 THR 80 far 0 96 0 - 6.5-7.6 HB2 LYS 66 - QG2 THR 80 far 0 94 0 - 6.7-7.1 HB3 LEU 70 - QG2 THR 80 far 0 71 0 - 7.3-8.1 Violated in 0 structures by 0.00 A. Peak 9730 from cnoeabs.peaks (1.64, 0.98, 22.13 ppm; 3.70 A increased from 3.48 A): 2 out of 8 assignments used, quality = 1.00: HG2 LYS 68 + QG2 THR 80 OK 100 100 100 100 3.5-3.8 10256=61, 7109/9529=49...(18) HD2 LYS 68 + QG2 THR 80 OK 39 98 40 99 3.7-5.4 10264/10762=54...(21) HD3 LYS 68 - QG2 THR 80 far 10 98 10 - 3.2-5.1 HB3 ARG 79 - QG2 THR 80 far 0 96 0 - 5.4-6.1 HB2 ARG 79 - QG2 THR 80 far 0 59 0 - 6.1-6.9 HB3 LEU 6 - QG2 THR 80 far 0 99 0 - 6.5-6.9 HB ILE 76 - QG2 THR 80 far 0 100 0 - 7.5-8.6 HD2 LYS 66 - QG2 THR 80 far 0 61 0 - 8.4-9.1 Violated in 0 structures by 0.00 A. Peak 9731 from cnoeabs.peaks (1.86, 0.98, 22.13 ppm; 3.72 A): 2 out of 11 assignments used, quality = 0.99: HB3 LYS 68 + QG2 THR 80 OK 97 97 100 100 2.4-2.7 7108/9529=51...(22) HB2 LYS 68 + QG2 THR 80 OK 69 93 75 99 3.7-4.1 3.0/10260=48...(18) HB3 LYS 66 - QG2 THR 80 far 0 100 0 - 6.0-6.3 HB ILE 8 - QG2 THR 80 far 0 61 0 - 6.1-6.6 HB VAL 54 - QG2 THR 80 far 0 81 0 - 6.3-7.0 HB3 LEU 57 - QG2 THR 80 far 0 71 0 - 6.4-6.6 HG LEU 42 - QG2 THR 80 far 0 59 0 - 7.2-8.0 HB2 LYS 53 - QG2 THR 80 far 0 96 0 - 9.1-10.1 HB3 LYS 39 - QG2 THR 80 far 0 100 0 - 9.4-11.7 HB VAL 5 - QG2 THR 80 far 0 100 0 - 9.7-10.1 HB3 GLU 104 - QG2 THR 80 far 0 98 0 - 9.9-23.3 Violated in 0 structures by 0.00 A. Peak 9732 from cnoeabs.peaks (1.34, 0.98, 22.13 ppm; 2.98 A): 1 out of 8 assignments used, quality = 0.98: QB ALA 67 + QG2 THR 80 OK 98 100 100 98 1.8-2.2 9528/9734=34...(22) HG3 LYS 68 - QG2 THR 80 far 0 99 0 - 4.7-4.8 HB2 LYS 82 - QG2 THR 80 far 0 100 0 - 5.2-6.3 HB2 LEU 70 - QG2 THR 80 far 0 77 0 - 6.0-6.6 HG12 ILE 8 - QG2 THR 80 far 0 87 0 - 6.0-6.8 QB ALA 89 - QG2 THR 80 far 0 100 0 - 8.5-8.9 HB3 LEU 42 - QG2 THR 80 far 0 65 0 - 8.7-9.7 HG2 LYS 39 - QG2 THR 80 far 0 100 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 9733 from cnoeabs.peaks (0.72, 0.98, 22.13 ppm; 2.60 A): 2 out of 15 assignments used, quality = 0.99: QD1 LEU 64 + QG2 THR 80 OK 91 94 100 97 1.8-2.9 10762=50, 9724/2.1=40...(26) QD1 ILE 56 + QG2 THR 80 OK 90 96 100 94 2.0-2.5 10682=34, 3.0/9734=28...(21) QG1 VAL 58 - QG2 THR 80 poor 20 100 20 - 2.8-3.2 QG2 VAL 78 - QG2 THR 80 far 0 100 0 - 3.1-3.7 HG13 ILE 56 - QG2 THR 80 far 0 99 0 - 4.1-4.4 QD1 ILE 8 - QG2 THR 80 far 0 97 0 - 4.4-4.8 QG1 VAL 78 - QG2 THR 80 far 0 90 0 - 4.9-5.7 QG1 VAL 54 - QG2 THR 80 far 0 61 0 - 5.4-5.8 QD1 LEU 42 - QG2 THR 80 far 0 68 0 - 5.5-6.2 HG3 ARG 81 - QG2 THR 80 far 0 96 0 - 5.8-6.6 QG1 VAL 5 - QG2 THR 80 far 0 100 0 - 6.7-7.2 QD2 LEU 6 - QG2 THR 80 far 0 63 0 - 7.2-7.5 QD2 LEU 14 - QG2 THR 80 far 0 96 0 - 8.6-9.1 HG13 ILE 93 - QG2 THR 80 far 0 92 0 - 9.9-10.6 QD1 ILE 52 - QG2 THR 80 far 0 79 0 - 9.9-11.0 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 2.2-2.7 9327=95, 2.1/9729=69...(24) QD1 ILE 7 - QG2 THR 80 far 0 87 0 - 8.1-8.9 Violated in 0 structures by 0.00 A. Peak 9741 from cnoeabs.peaks (5.34, 4.36, 53.27 ppm; 5.34 A): 1 out of 1 assignment used, quality = 1.00: HA THR 80 + HA ARG 81 OK 100 100 100 100 4.4-4.5 7311/3.0=99, 9714=78...(15) Violated in 0 structures by 0.00 A. Peak 9742 from cnoeabs.peaks (1.52, 4.36, 53.27 ppm; 5.81 A): 3 out of 7 assignments used, quality = 0.95: HB3 LEU 64 + HA ARG 81 OK 79 79 100 100 5.1-5.7 3.1/9483=89, ~7318=62...(10) HG LEU 64 + HA ARG 81 OK 59 59 100 100 5.1-5.9 2.1/9483=94, ~7318=76...(8) HG3 ARG 79 + HA ARG 81 OK 39 96 55 74 5.5-7.6 7301/10920=49...(6) HG2 ARG 79 - HA ARG 81 far 0 96 0 - 6.6-7.6 HG LEU 57 - HA ARG 81 far 0 94 0 - 7.2-7.8 HG12 ILE 56 - HA ARG 81 far 0 98 0 - 8.4-8.8 HB3 LEU 103 - HA ARG 81 far 0 100 0 - 9.6-26.5 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 4.1-4.4 7332/7324=97...(11) QB ALA 67 - HA ARG 81 far 0 99 0 - 6.6-7.0 QB ALA 89 - HA ARG 81 far 0 100 0 - 8.7-9.2 HG3 LYS 68 - HA ARG 81 far 0 100 0 - 9.2-9.8 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 5 assignments used, quality = 0.99: QD1 LEU 57 + HB2 ARG 81 OK 99 100 100 99 2.9-4.2 9338/4.0=44, 9748/1.8=43...(15) QD2 LEU 57 + HB2 ARG 81 OK 61 65 95 98 3.1-5.3 9736/4.0=48, 9748/1.8=37...(14) QD2 LEU 64 - HB2 ARG 81 far 0 75 0 - 5.6-6.6 QD1 LEU 103 - HB2 ARG 81 far 0 71 0 - 6.0-20.6 QD2 LEU 103 - HB2 ARG 81 far 0 100 0 - 7.9-19.3 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 = 0.98: QD2 LEU 64 + HA ARG 81 OK 93 93 100 100 3.7-4.7 2.1/9483=81...(14) QD1 LEU 57 + HA ARG 81 OK 75 96 80 98 4.5-4.9 9338/3.0=48, 9744/3.0=36...(14) QD1 LEU 103 - HA ARG 81 far 0 91 0 - 7.8-22.2 QD2 LEU 38 - HA ARG 81 far 0 91 0 - 9.5-10.0 QD2 LEU 103 - HA ARG 81 far 0 95 0 - 9.5-21.0 QD1 LEU 38 - HA ARG 81 far 0 95 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 9746 from cnoeabs.peaks (0.84, 2.31, 42.21 ppm; 5.81 A increased from 4.89 A): 2 out of 4 assignments used, quality = 0.99: QD1 LEU 57 + HD3 ARG 81 OK 98 99 100 99 4.4-5.8 9744/3.4=52...(13) QD2 LEU 64 + HD3 ARG 81 OK 40 85 50 93 4.8-6.7 10939/7330=66...(6) QD1 LEU 103 - HD3 ARG 81 far 0 82 0 - 6.3-22.4 QD2 LEU 103 - HD3 ARG 81 far 0 99 0 - 7.6-21.0 Violated in 0 structures by 0.00 A. Peak 9747 from cnoeabs.peaks (0.82, 0.43, 25.88 ppm; 4.62 A): 2 out of 7 assignments used, quality = 0.91: QD2 LEU 57 + HG2 ARG 81 OK 74 77 100 96 3.1-4.7 9736/4.9=37, 9748/2.9=31...(15) QD1 LEU 57 + HG2 ARG 81 OK 64 100 65 99 2.5-5.2 9744/2.9=39, 9748/2.9=36...(17) QD2 LEU 64 - HG2 ARG 81 far 0 63 0 - 5.6-7.5 QD1 LEU 103 - HG2 ARG 81 far 0 59 0 - 6.3-21.4 QD2 LEU 103 - HG2 ARG 81 far 0 100 0 - 8.1-20.0 QD2 LEU 38 - HG2 ARG 81 far 0 100 0 - 9.5-11.1 QD1 LEU 38 - HG2 ARG 81 far 0 68 0 - 9.7-12.0 Violated in 0 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 = 1.00: QD1 LEU 57 + HB3 ARG 81 OK 97 99 100 98 2.2-3.1 2642/12132=51...(12) QD2 LEU 57 + HB3 ARG 81 OK 84 87 100 97 1.9-3.8 9736/7316=45...(11) QD2 LEU 103 - HB3 ARG 81 far 0 100 0 - 8.8-19.5 QD2 LEU 38 - HB3 ARG 81 far 0 100 0 - 9.0-9.5 QG2 ILE 8 - HB3 ARG 81 far 0 71 0 - 9.3-9.8 QG2 ILE 7 - HB3 ARG 81 far 0 91 0 - 9.5-10.0 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 = 0.85: HZ2 TRP 92 + HD3 ARG 81 OK 62 63 100 98 2.5-5.3 ~9975=64, 10925/1.8=63...(7) HE3 TRP 92 + HD3 ARG 81 OK 60 88 80 86 4.9-6.9 9276/9253=54, ~14661=51...(4) H ALA 89 - HD3 ARG 81 far 0 79 0 - 8.6-11.4 H ARG 91 - HD3 ARG 81 far 0 96 0 - 9.7-12.7 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): 1 out of 10 assignments used, quality = 1.00: QD2 LEU 64 + HB2 LYS 82 OK 100 100 100 100 2.5-3.0 10252=99, 9758/1.8=73...(17) QG2 VAL 32 - HB3 ARG 30 poor 12 48 60 42 4.4-4.5 8716/1.8=13...(6) QD2 LEU 38 - HB3 ARG 30 far 0 37 0 - 5.7-6.2 QD1 LEU 57 - HB2 LYS 82 far 0 81 0 - 5.9-6.1 QD1 LEU 38 - HB3 ARG 30 far 0 61 0 - 6.8-7.2 HG13 ILE 8 - HB3 ARG 30 far 0 38 0 - 8.6-9.0 HG13 ILE 8 - HB2 LYS 82 far 0 73 0 - 9.3-11.9 HG13 ILE 7 - HB3 ARG 30 far 0 31 0 - 9.4-9.7 QG2 ILE 76 - HB3 ARG 30 far 0 43 0 - 9.4-9.9 QD2 LEU 38 - HB2 LYS 82 far 0 71 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 9757 from cnoeabs.peaks (0.69, 1.34, 32.60 ppm; 3.72 A): 2 out of 19 assignments used, quality = 0.98: QG2 VAL 58 + HB2 LYS 82 OK 94 94 100 100 3.0-3.5 9378=62, 10228/3.0=55...(18) QD2 LEU 6 + HB3 ARG 30 OK 60 61 100 99 1.9-2.0 8717/1.8=66, 8720/2.9=40...(17) QG1 VAL 58 - HB2 LYS 82 far 0 82 0 - 5.1-5.7 QG1 VAL 5 - HB3 ARG 30 far 0 37 0 - 5.5-6.0 QG2 VAL 54 - HB3 ARG 30 far 0 30 0 - 5.7-6.8 QD1 LEU 29 - HB3 ARG 30 far 0 29 0 - 6.0-6.2 HG13 ILE 56 - HB3 ARG 30 far 0 51 0 - 7.3-7.8 QD1 ILE 52 - HB3 ARG 30 far 0 62 0 - 7.5-8.6 QD1 ILE 8 - HB3 ARG 30 far 0 55 0 - 7.8-8.2 QD1 ILE 56 - HB3 ARG 30 far 0 57 0 - 7.9-8.2 QD1 ILE 8 - HB2 LYS 82 far 0 96 0 - 7.9-8.5 QD1 LEU 42 - HB3 ARG 30 far 0 61 0 - 8.5-8.8 QD1 LEU 14 - HB2 LYS 82 far 0 96 0 - 8.9-9.2 QD1 ILE 56 - HB2 LYS 82 far 0 97 0 - 8.9-9.3 QD2 LEU 14 - HB2 LYS 82 far 0 96 0 - 9.3-9.6 QD2 LEU 27 - HB3 ARG 30 far 0 34 0 - 9.4-10.1 QG2 VAL 78 - HB3 ARG 30 far 0 43 0 - 9.5-10.2 QG1 VAL 58 - HB3 ARG 30 far 0 44 0 - 9.6-10.0 QG2 VAL 78 - HB2 LYS 82 far 0 81 0 - 9.8-10.6 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 2 assignments used, quality = 0.98: QD2 LEU 64 + HB3 LYS 82 OK 98 98 100 100 3.8-4.3 10253=92, 10252/1.8=89...(18) QD1 LEU 57 - HB3 LYS 82 far 0 90 0 - 5.7-6.2 Violated in 3 structures by 0.00 A. Peak 9759 from cnoeabs.peaks (0.69, 1.76, 32.60 ppm; 4.52 A increased from 4.25 A): 1 out of 5 assignments used, quality = 0.98: QG2 VAL 58 + HB3 LYS 82 OK 98 98 100 100 4.1-4.3 10228/3.0=79...(11) QG1 VAL 58 - HB3 LYS 82 far 0 71 0 - 6.3-6.8 QD1 LEU 14 - HB3 LYS 82 far 0 99 0 - 8.3-8.8 QD1 ILE 8 - HB3 LYS 82 far 0 90 0 - 9.0-9.5 QD2 LEU 14 - HB3 LYS 82 far 0 91 0 - 9.1-9.5 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 = 0.99: QG2 VAL 58 + HG2 LYS 82 OK 99 100 100 100 2.0-2.5 10222/1.8=77...(14) QD1 LEU 14 - HG2 LYS 82 far 0 99 0 - 7.3-8.1 QD2 LEU 14 - HG2 LYS 82 far 0 57 0 - 7.7-8.3 QD1 ILE 56 - HG2 LYS 82 far 0 59 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 9761 from cnoeabs.peaks (0.75, 1.06, 25.00 ppm; 4.41 A increased from 3.92 A): 1 out of 6 assignments used, quality = 1.00: QD1 LEU 64 + HG2 LYS 82 OK 100 100 100 100 4.0-4.3 9486/3.9=50, ~10252=48...(23) QG1 VAL 58 - HG2 LYS 82 far 12 82 15 - 4.6-5.1 HG3 ARG 81 - HG2 LYS 82 far 0 99 0 - 6.0-9.4 QG2 ILE 8 - HG2 LYS 82 far 0 59 0 - 6.8-7.7 QD1 ILE 8 - HG2 LYS 82 far 0 61 0 - 7.1-7.6 QD2 LEU 14 - HG2 LYS 82 far 0 59 0 - 7.7-8.3 Violated in 0 structures by 0.00 A. Peak 9762 from cnoeabs.peaks (0.78, 1.14, 25.00 ppm; 5.43 A increased from 4.35 A): 1 out of 10 assignments used, quality = 0.65: QD1 LEU 64 + HG3 LYS 82 OK 65 65 100 100 5.0-5.2 ~10252=70, ~9758=63...(20) HG3 ARG 81 - HG3 LYS 82 far 0 61 0 - 5.8-9.5 QD1 LEU 6 - HG2 LYS 40 far 0 48 0 - 6.6-7.9 QD2 LEU 57 - HG3 LYS 82 far 0 94 0 - 7.1-8.6 QG2 ILE 8 - HG3 LYS 82 far 0 99 0 - 7.5-9.0 QD2 LEU 42 - HG2 LYS 40 far 0 46 0 - 7.9-8.6 QD1 ILE 76 - HG2 LYS 40 far 0 38 0 - 8.7-9.0 QG1 VAL 54 - HG2 LYS 40 far 0 43 0 - 8.8-10.2 QD2 LEU 70 - HG2 LYS 40 far 0 32 0 - 9.0-9.9 QD1 LEU 70 - HG2 LYS 40 far 0 24 0 - 9.2-10.1 Violated in 0 structures by 0.00 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 3.2-4.0 10222=94, 9760/1.8=77...(11) QD2 LEU 6 - HG2 LYS 40 far 0 37 0 - 6.2-7.8 QD1 LEU 14 - HG3 LYS 82 far 0 96 0 - 7.0-7.5 QD1 LEU 42 - HG2 LYS 40 far 0 35 0 - 7.5-8.0 QG2 VAL 54 - HG2 LYS 40 far 0 48 0 - 9.0-10.1 QD1 ILE 52 - HG2 LYS 40 far 0 30 0 - 9.7-10.5 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 4.1-4.4 7324/7332=94, 9743=89...(11) HA ASP 61 + HB2 LYS 82 OK 98 98 100 100 4.3-5.0 9446=84, 9766/3.5=65...(9) Violated in 0 structures by 0.00 A. Peak 9765 from cnoeabs.peaks (4.33, 1.76, 32.60 ppm; 5.16 A increased from 4.86 A): 1 out of 3 assignments used, quality = 0.82: HA ARG 81 + HB3 LYS 82 OK 82 82 100 99 4.8-5.1 3.6/7333=90, 9743/1.8=60...(9) HA ASP 61 - HB3 LYS 82 far 4 77 5 - 5.4-6.1 HA ASP 65 - HB3 LYS 82 far 0 90 0 - 9.5-10.2 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 2.4-3.2 9767/1.8=73, 9445=60...(14) HA ARG 81 - HD2 LYS 82 far 0 100 0 - 6.4-6.8 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 2.9-3.9 9766/1.8=86, 3.0/9443=68...(14) HA ARG 81 - HD3 LYS 82 far 0 100 0 - 7.8-8.0 Violated in 0 structures by 0.00 A. Peak 9768 from cnoeabs.peaks (0.68, 1.57, 28.90 ppm; 5.29 A): 1 out of 4 assignments used, quality = 1.00: QG2 VAL 58 + HD3 LYS 82 OK 100 100 100 100 3.5-4.1 10222/2.9=88...(13) QD1 ILE 8 - HD3 LYS 82 far 0 70 0 - 8.5-9.3 QD1 LEU 14 - HD3 LYS 82 far 0 100 0 - 8.7-9.0 QD2 LEU 14 - HD3 LYS 82 far 0 71 0 - 9.2-9.5 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 4.1-5.3 9766/3.0=75, 9767/3.0=68...(10) HA ARG 81 - HE2 LYS 82 far 0 99 0 - 6.7-8.2 Violated in 1 structures by 0.00 A. Peak 9774 from cnoeabs.peaks (7.69, 2.11, 35.30 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: H SER 85 + HB VAL 83 OK 100 100 100 100 2.5-2.8 9859=82, 9779/2.1=74...(13) 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 3.4-3.7 9780/2.1=88, 9794/2.1=84...(19) HE3 TRP 92 - HB VAL 83 far 0 100 0 - 8.8-9.1 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 0 100 0 - 9.9-10.2 Violated in 20 structures by 5.00 A. Peak 9777 from cnoeabs.peaks (6.85, 2.11, 35.30 ppm; 5.73 A): 1 out of 1 assignment used, quality = 0.92: HD1 TRP 92 + HB VAL 83 OK 92 92 100 100 3.9-4.3 9782/2.1=93, 9796/2.1=89...(15) Violated in 0 structures by 0.00 A. Peak 9779 from cnoeabs.peaks (7.69, 0.96, 21.21 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: H SER 85 + QG2 VAL 83 OK 100 100 100 100 3.0-3.7 9774/2.1=70, 7366/4.0=62...(15) H LEU 64 - QG2 VAL 83 far 0 81 0 - 7.9-8.2 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 3.6-3.9 7407/9818=77...(25) HE3 TRP 92 - QG2 VAL 83 far 0 99 0 - 7.1-7.6 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 0 100 0 - 8.2-8.7 QD PHE 96 - QG2 VAL 83 far 0 68 0 - 9.0-9.3 Violated in 20 structures by 2.85 A. Peak 9782 from cnoeabs.peaks (6.86, 0.96, 21.21 ppm; 4.45 A): 1 out of 2 assignments used, quality = 0.99: HD1 TRP 92 + QG2 VAL 83 OK 99 99 100 100 3.6-4.0 9796/2.1=94...(19) HD21 ASN 60 - QG2 VAL 83 far 0 99 0 - 8.1-9.0 Violated in 0 structures by 0.00 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 3.3-3.6 2.9/9819=89...(16) 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 3.3-3.8 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 3 assignments used, quality = 0.99: HA LYS 82 + QG2 VAL 83 OK 99 99 100 100 3.3-3.8 7343/7354=80...(10) HA LEU 55 - QG2 VAL 83 far 0 59 0 - 8.2-8.5 HA ARG 79 - QG2 VAL 83 far 0 100 0 - 9.8-10.5 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 4.0-4.3 3.6/9779=71...(11) HA ILE 8 - QG2 VAL 83 far 0 81 0 - 6.8-7.1 HA ASP 11 - QG2 VAL 83 far 0 98 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 9787 from cnoeabs.peaks (8.76, 0.96, 21.21 ppm; 5.36 A): 2 out of 2 assignments used, quality = 0.98: H ARG 81 + QG2 VAL 83 OK 94 100 95 99 5.2-5.8 10926/9788=73...(9) H LYS 82 + QG2 VAL 83 OK 67 68 100 100 4.9-5.6 3.0/9785=87, 4.5/7354=81...(8) Violated in 0 structures by 0.00 A. Peak 9788 from cnoeabs.peaks (8.54, 0.96, 21.21 ppm; 4.26 A): 1 out of 3 assignments used, quality = 1.00: H VAL 58 + QG2 VAL 83 OK 100 100 100 100 3.2-3.5 9771/7354=64, 9366=62...(14) H ASP 61 - QG2 VAL 83 far 0 61 0 - 8.6-9.1 H ARG 79 - QG2 VAL 83 far 0 57 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 9791 from cnoeabs.peaks (8.73, 1.01, 23.61 ppm; 6.35 A): 2 out of 2 assignments used, quality = 1.00: H LYS 82 + QG1 VAL 83 OK 98 99 100 100 4.1-4.4 3.0/9799=97, 4.5/7355=93...(6) H ARG 81 + QG1 VAL 83 OK 83 84 100 99 4.9-5.6 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 4.0-4.8 9788/2.1=91...(10) H ARG 79 - QG1 VAL 83 far 0 81 0 - 9.4-10.3 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 2 assignments used, quality = 1.00: H SER 85 + QG1 VAL 83 OK 100 100 100 100 4.0-4.3 9779/2.1=90, 9774/2.1=88...(13) H LEU 64 - QG1 VAL 83 far 0 68 0 - 8.9-9.5 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 3.1-3.4 3.0/9824=71, 9780/2.1=66...(26) H ARG 91 - QG1 VAL 83 far 0 71 0 - 5.4-5.9 HE3 TRP 92 - QG1 VAL 83 far 0 100 0 - 5.6-5.8 Violated in 0 structures by 0.00 A. Peak 9795 from cnoeabs.peaks (7.05, 1.01, 23.61 ppm; 6.50 A increased from 5.53 A): 1 out of 2 assignments used, quality = 0.97: HZ3 TRP 92 + QG1 VAL 83 OK 97 97 100 100 6.4-6.5 5.9/9998=77, 6.6/9796=69...(8) QD PHE 96 - QG1 VAL 83 far 0 93 0 - 8.1-8.6 Violated in 12 structures by 0.01 A. Peak 9796 from cnoeabs.peaks (6.87, 1.01, 23.61 ppm; 3.35 A): 1 out of 1 assignment used, quality = 0.99: HD1 TRP 92 + QG1 VAL 83 OK 99 100 100 99 1.9-2.0 2.6/9998=53, 9782/2.1=40...(19) Violated in 0 structures by 0.00 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 3.6-4.4 2.9/9809=83, 4.0/9808=79...(17) 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 5.3-5.6 10728/2.1=88...(8) HA VAL 5 - QG1 VAL 83 far 0 88 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 9799 from cnoeabs.peaks (4.71, 1.01, 23.61 ppm; 4.54 A): 1 out of 3 assignments used, quality = 0.99: HA LYS 82 + QG1 VAL 83 OK 99 99 100 99 3.7-4.2 7343/7355=81...(8) HA LEU 55 - QG1 VAL 83 far 0 59 0 - 7.7-8.6 HA ARG 79 - QG1 VAL 83 far 0 100 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 9800 from cnoeabs.peaks (4.59, 1.01, 23.61 ppm; 5.54 A): 1 out of 2 assignments used, quality = 0.96: HA THR 84 + QG1 VAL 83 OK 96 96 100 100 5.4-5.5 3.0/7362=93, 9786/2.1=86...(9) HA ILE 8 - QG1 VAL 83 far 0 96 0 - 9.0-9.5 Violated in 1 structures by 0.00 A. Peak 9804 from cnoeabs.peaks (0.80, 2.11, 35.30 ppm; 4.11 A): 1 out of 6 assignments used, quality = 0.84: QD1 LEU 57 + HB VAL 83 OK 84 84 100 100 3.4-4.1 9808/2.1=93, 10278=47...(23) QD2 LEU 57 - HB VAL 83 far 0 100 0 - 5.9-6.4 QD1 ILE 93 - HB VAL 83 far 0 73 0 - 6.7-7.9 QG2 ILE 7 - HB VAL 83 far 0 100 0 - 8.4-8.9 QG2 ILE 8 - HB VAL 83 far 0 96 0 - 8.7-9.6 QG2 ILE 15 - HB VAL 83 far 0 99 0 - 9.8-10.6 Violated in 1 structures by 0.00 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 3.5-4.0 10402/2.1=83, 10405=49...(11) QD2 LEU 14 - HB VAL 83 far 0 93 0 - 5.0-5.5 QG2 VAL 58 - HB VAL 83 far 0 97 0 - 6.5-6.7 QG1 VAL 58 - HB VAL 83 far 0 75 0 - 7.7-7.9 QG1 VAL 5 - HB VAL 83 far 0 63 0 - 8.1-8.8 QD1 LEU 29 - HB VAL 83 far 0 65 0 - 9.0-9.7 QD1 ILE 8 - HB VAL 83 far 0 92 0 - 9.5-9.9 Violated in 1 structures by 0.00 A. Peak 9806 from cnoeabs.peaks (0.70, 0.96, 21.21 ppm; 3.14 A increased from 2.96 A): 2 out of 10 assignments used, quality = 0.97: QD1 LEU 14 + QG2 VAL 83 OK 88 90 100 98 2.6-3.1 10402=74, 2.1/10403=50...(14) QD2 LEU 14 + QG2 VAL 83 OK 77 99 80 97 3.4-3.5 10403=63, 2.1/10402=59...(15) QG2 VAL 58 - QG2 VAL 83 far 0 87 0 - 4.1-4.2 QG1 VAL 58 - QG2 VAL 83 far 0 91 0 - 4.8-5.0 QG1 VAL 5 - QG2 VAL 83 far 0 82 0 - 5.7-6.2 QD1 ILE 8 - QG2 VAL 83 far 0 99 0 - 6.2-6.6 QD1 ILE 56 - QG2 VAL 83 far 0 99 0 - 8.0-8.3 QD2 LEU 6 - QG2 VAL 83 far 0 98 0 - 8.7-8.9 HG13 ILE 56 - QG2 VAL 83 far 0 96 0 - 8.7-9.0 QG2 VAL 78 - QG2 VAL 83 far 0 90 0 - 9.3-9.6 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 0 97 0 - 4.5-4.7 QG2 VAL 58 - QG1 VAL 83 far 0 96 0 - 4.6-5.3 QD2 LEU 14 - QG1 VAL 83 far 0 95 0 - 5.4-5.5 QG1 VAL 58 - QG1 VAL 83 far 0 79 0 - 5.8-6.4 QG1 VAL 5 - QG1 VAL 83 far 0 68 0 - 5.9-6.7 QD1 LEU 29 - QG1 VAL 83 far 0 61 0 - 7.3-7.9 QD1 ILE 8 - QG1 VAL 83 far 0 94 0 - 7.6-8.3 QD1 ILE 56 - QG1 VAL 83 far 0 96 0 - 8.4-8.9 QG2 VAL 78 - QG1 VAL 83 far 0 77 0 - 9.2-9.9 HG13 ILE 56 - QG1 VAL 83 far 0 88 0 - 9.3-9.9 QD2 LEU 6 - QG1 VAL 83 far 0 100 0 - 9.6-10.2 Violated in 20 structures by 0.70 A. Peak 9808 from cnoeabs.peaks (0.80, 1.01, 23.61 ppm; 3.03 A): 1 out of 11 assignments used, quality = 0.83: QD1 LEU 57 + QG1 VAL 83 OK 83 84 100 99 1.8-1.9 9804/2.1=37, 3.1/9809=34...(30) QD2 LEU 57 - QG1 VAL 83 far 0 100 0 - 3.6-4.1 QD1 ILE 93 - QG1 VAL 83 far 0 73 0 - 5.2-6.3 QG2 ILE 7 - QG1 VAL 83 far 0 100 0 - 7.2-7.8 QG2 ILE 8 - QG1 VAL 83 far 0 96 0 - 7.7-8.5 QD2 LEU 103 - QG1 VAL 83 far 0 85 0 - 8.8-18.2 QD2 LEU 38 - QG1 VAL 83 far 0 91 0 - 8.8-9.5 QG2 ILE 15 - QG1 VAL 83 far 0 99 0 - 8.9-9.6 QD1 LEU 27 - QG1 VAL 83 far 0 71 0 - 9.2-9.9 QD1 LEU 6 - QG1 VAL 83 far 0 75 0 - 9.5-10.1 QG2 VAL 32 - QG1 VAL 83 far 0 77 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 9809 from cnoeabs.peaks (1.19, 1.01, 23.61 ppm; 3.86 A): 1 out of 2 assignments used, quality = 0.99: HB2 LEU 57 + QG1 VAL 83 OK 99 99 100 100 3.3-3.8 9819/2.1=74, 3.1/9808=70...(19) HB2 LEU 6 - QG1 VAL 83 far 0 99 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 9810 from cnoeabs.peaks (1.33, 1.01, 23.61 ppm; 3.77 A increased from 3.35 A): 1 out of 7 assignments used, quality = 1.00: QB ALA 89 + QG1 VAL 83 OK 100 100 100 100 3.4-3.8 9818/2.1=83, 2.1/9824=77...(21) HB2 LYS 82 - QG1 VAL 83 far 0 99 0 - 5.4-5.8 HG LEU 14 - QG1 VAL 83 far 0 95 0 - 6.0-6.4 QB ALA 67 - QG1 VAL 83 far 0 100 0 - 7.6-8.3 HG2 LYS 94 - QG1 VAL 83 far 0 100 0 - 8.1-10.5 HG12 ILE 8 - QG1 VAL 83 far 0 77 0 - 8.7-9.5 QB ALA 25 - QG1 VAL 83 far 0 100 0 - 10.0-10.5 Violated in 0 structures by 0.00 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 3.5-4.1 2.1/9808=97, 9817/2.1=76...(18) HG3 ARG 91 - QG1 VAL 83 far 0 63 0 - 6.1-7.7 HB2 ARG 91 - QG1 VAL 83 far 0 100 0 - 6.5-7.0 HD2 LYS 82 - QG1 VAL 83 far 0 77 0 - 6.9-7.4 HB3 LEU 64 - QG1 VAL 83 far 0 100 0 - 7.1-7.6 HB ILE 7 - QG1 VAL 83 far 0 71 0 - 7.1-7.9 HB2 LEU 14 - QG1 VAL 83 far 0 71 0 - 7.6-8.0 HG LEU 64 - QG1 VAL 83 far 0 99 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 9812 from cnoeabs.peaks (1.68, 1.01, 23.61 ppm; 5.76 A increased from 5.12 A): 1 out of 6 assignments used, quality = 0.89: HB3 ARG 91 + QG1 VAL 83 OK 89 100 100 89 5.1-5.5 7458/10993=68...(3) HD3 LYS 90 - QG1 VAL 83 far 0 95 0 - 7.5-8.5 HB3 ARG 79 - QG1 VAL 83 far 0 85 0 - 7.6-8.8 HG2 PRO 86 - QG1 VAL 83 far 0 98 0 - 8.0-8.8 HG12 ILE 15 - QG1 VAL 83 far 0 97 0 - 9.3-10.6 HB3 LEU 6 - QG1 VAL 83 far 0 75 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 9813 from cnoeabs.peaks (1.81, 1.01, 23.61 ppm; 3.64 A): 1 out of 6 assignments used, quality = 1.00: HB2 GLU 88 + QG1 VAL 83 OK 100 100 100 100 2.1-2.8 9822/2.1=62, 3.0/9814=42...(27) HB3 LEU 57 - QG1 VAL 83 far 0 96 0 - 4.6-5.0 HB2 LYS 90 - QG1 VAL 83 far 0 100 0 - 6.9-7.3 HB ILE 93 - QG1 VAL 83 far 0 100 0 - 7.5-8.0 HB3 LYS 90 - QG1 VAL 83 far 0 84 0 - 8.0-8.3 HB3 GLU 63 - QG1 VAL 83 far 0 77 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 9814 from cnoeabs.peaks (1.92, 1.01, 23.61 ppm; 4.46 A): 1 out of 5 assignments used, quality = 0.92: HG3 GLU 88 + QG1 VAL 83 OK 92 92 100 100 3.1-4.2 3.0/9813=77, 9815/2.1=56...(28) HB ILE 8 - QG1 VAL 83 far 0 81 0 - 7.6-8.1 HB3 LEU 14 - QG1 VAL 83 far 0 91 0 - 8.1-8.4 HB2 GLU 17 - QG1 VAL 83 far 0 94 0 - 8.2-9.0 HB2 LYS 94 - QG1 VAL 83 far 0 100 0 - 8.8-10.8 Violated in 0 structures by 0.00 A. Peak 9815 from cnoeabs.peaks (1.93, 0.96, 21.21 ppm; 5.24 A increased from 4.41 A): 1 out of 7 assignments used, quality = 0.94: HG3 GLU 88 + QG2 VAL 83 OK 94 94 100 100 4.7-5.0 9814/2.1=91, ~9813=64...(28) HB ILE 8 - QG2 VAL 83 far 4 77 5 - 5.5-5.9 HB3 LEU 14 - QG2 VAL 83 far 0 88 0 - 5.9-6.3 HB2 GLU 17 - QG2 VAL 83 far 0 96 0 - 7.6-8.5 HB VAL 32 - QG2 VAL 83 far 0 96 0 - 8.8-9.1 HB2 LYS 13 - QG2 VAL 83 far 0 99 0 - 9.4-9.9 HB3 LYS 13 - QG2 VAL 83 far 0 99 0 - 9.5-10.2 Violated in 0 structures by 0.00 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 3.4-3.9 9813/2.1=71, 9822/2.1=65...(28) HB3 LEU 57 + QG2 VAL 83 OK 90 90 100 100 3.6-3.7 1.8/9819=80, 3.0/9817=47...(23) HB3 LYS 82 - QG2 VAL 83 far 0 61 0 - 5.1-5.7 HB3 GLU 63 - QG2 VAL 83 far 0 87 0 - 7.0-7.3 HB ILE 56 - QG2 VAL 83 far 0 59 0 - 7.3-7.6 HB2 LYS 90 - QG2 VAL 83 far 0 99 0 - 7.8-8.1 HB ILE 93 - QG2 VAL 83 far 0 100 0 - 8.1-8.4 HB3 LYS 90 - QG2 VAL 83 far 0 73 0 - 8.7-9.0 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 3.3-3.8 3.0/9819=76, 9811/2.1=70...(18) HB2 LEU 14 - QG2 VAL 83 far 0 59 0 - 5.6-6.2 HB ILE 7 - QG2 VAL 83 far 0 59 0 - 5.7-6.3 HB3 LEU 64 - QG2 VAL 83 far 0 100 0 - 6.4-7.0 HD2 LYS 82 - QG2 VAL 83 far 0 87 0 - 6.7-7.1 HG3 ARG 91 - QG2 VAL 83 far 0 75 0 - 8.2-9.7 HB2 ARG 91 - QG2 VAL 83 far 0 100 0 - 8.3-8.7 HG LEU 64 - QG2 VAL 83 far 0 100 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 9818 from cnoeabs.peaks (1.33, 0.96, 21.21 ppm; 3.16 A): 1 out of 6 assignments used, quality = 0.98: QB ALA 89 + QG2 VAL 83 OK 98 98 100 100 2.6-3.2 9931=85, 2.1/9825=49...(21) HG LEU 14 - QG2 VAL 83 far 0 88 0 - 4.1-4.7 HB2 LYS 82 - QG2 VAL 83 far 0 96 0 - 5.5-5.9 HG12 ILE 8 - QG2 VAL 83 far 0 65 0 - 6.8-7.3 QB ALA 67 - QG2 VAL 83 far 0 99 0 - 7.0-7.3 HG2 LYS 94 - QG2 VAL 83 far 0 98 0 - 9.7-12.0 Violated in 1 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 2.1-2.3 9354=71, 9809/2.1=56...(21) QB ALA 18 - QG2 VAL 83 far 0 81 0 - 4.9-5.2 HB2 LEU 6 - QG2 VAL 83 far 0 92 0 - 8.4-8.6 Violated in 0 structures by 0.00 A. Peak 9820 from cnoeabs.peaks (1.20, 2.11, 35.30 ppm; 5.24 A increased from 4.94 A): 1 out of 2 assignments used, quality = 1.00: HB2 LEU 57 + HB VAL 83 OK 100 100 100 100 4.9-5.0 9819/2.1=100...(18) QB ALA 18 - HB VAL 83 far 0 81 0 - 6.6-7.0 Violated in 0 structures by 0.00 A. Peak 9821 from cnoeabs.peaks (1.34, 2.11, 35.30 ppm; 4.12 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 89 + HB VAL 83 OK 100 100 100 100 3.7-4.1 9931/2.1=89, 9810/2.1=79...(17) HG LEU 14 - HB VAL 83 far 0 99 0 - 5.5-6.0 HB2 LYS 82 - HB VAL 83 far 0 100 0 - 7.6-7.8 Violated in 2 structures by 0.00 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 2.0-2.5 9813/2.1=75...(27) HB3 LEU 57 - HB VAL 83 far 0 96 0 - 6.5-6.6 HB2 LYS 90 - HB VAL 83 far 0 100 0 - 8.4-8.7 HB3 LYS 90 - HB VAL 83 far 0 84 0 - 9.8-10.1 HB ILE 93 - HB VAL 83 far 0 100 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 9823 from cnoeabs.peaks (4.08, 1.01, 23.61 ppm; 6.00 A increased from 5.65 A): 1 out of 1 assignment used, quality = 0.98: HA PRO 86 + QG1 VAL 83 OK 98 99 100 99 5.6-6.0 10971/9810=86...(4) Violated in 1 structures by 0.00 A. Peak 9824 from cnoeabs.peaks (3.90, 1.01, 23.61 ppm; 3.40 A): 1 out of 4 assignments used, quality = 1.00: HA ALA 89 + QG1 VAL 83 OK 100 100 100 100 2.8-3.2 9928=67, 9825/2.1=57...(24) HB2 SER 85 - QG1 VAL 83 far 0 100 0 - 5.2-5.9 HA ARG 91 - QG1 VAL 83 far 0 99 0 - 7.1-7.5 HB3 SER 9 - QG1 VAL 83 far 0 77 0 - 7.3-8.9 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 3.3-3.7 2.1/9818=82, 9824/2.1=76...(23) HB3 SER 9 - QG2 VAL 83 far 0 65 0 - 4.7-6.4 HB2 SER 85 - QG2 VAL 83 far 0 98 0 - 5.5-6.0 HA ARG 91 - QG2 VAL 83 far 0 100 0 - 8.7-9.1 HA GLU 63 - QG2 VAL 83 far 0 87 0 - 9.1-9.3 HA LYS 12 - QG2 VAL 83 far 0 68 0 - 10.0-10.3 Violated in 0 structures by 0.00 A. Peak 9826 from cnoeabs.peaks (3.67, 0.96, 21.21 ppm; 6.26 A increased from 5.27 A): 2 out of 4 assignments used, quality = 0.98: HA GLU 88 + QG2 VAL 83 OK 98 98 100 100 5.7-6.1 3.6/9780=95...(23) HA LEU 14 + QG2 VAL 83 OK 35 99 35 100 6.2-6.9 4.0/10402=95...(3) HA LYS 90 - QG2 VAL 83 far 0 100 0 - 7.3-7.6 HB THR 80 - QG2 VAL 83 far 0 100 0 - 7.6-8.6 Violated in 0 structures by 0.00 A. Peak 9827 from cnoeabs.peaks (2.97, 0.96, 21.21 ppm; 6.37 A): 1 out of 5 assignments used, quality = 0.83: HB2 SER 9 + QG2 VAL 83 OK 83 85 100 98 4.8-6.4 8414/10403=76...(5) HB3 ASP 11 - QG2 VAL 83 far 0 81 0 - 7.7-8.9 HG2 MET 21 - QG2 VAL 83 far 0 84 0 - 8.9-9.6 HE3 LYS 90 - QG2 VAL 83 far 0 77 0 - 9.2-9.9 HB2 ASN 10 - QG2 VAL 83 far 0 61 0 - 9.3-10.3 Violated in 1 structures by 0.00 A. Peak 9828 from cnoeabs.peaks (4.02, 0.96, 21.21 ppm; 5.34 A): 1 out of 2 assignments used, quality = 0.96: HB3 SER 59 + QG2 VAL 83 OK 96 96 100 100 3.6-5.2 3.0/10728=85, 9406=72...(10) HA GLU 17 - QG2 VAL 83 far 0 73 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 9829 from cnoeabs.peaks (3.89, 2.11, 35.30 ppm; 4.85 A increased from 4.31 A): 2 out of 4 assignments used, quality = 1.00: HA ALA 89 + HB VAL 83 OK 99 99 100 100 4.4-4.8 9824/2.1=97, 9825/2.1=95...(16) HB2 SER 85 + HB VAL 83 OK 91 98 100 94 4.7-5.1 4.0/9774=64...(6) HB3 SER 9 - HB VAL 83 far 0 65 0 - 7.2-9.2 HA ARG 91 - HB VAL 83 far 0 100 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 9835 from cnoeabs.peaks (0.68, 4.44, 70.10 ppm; 5.75 A increased from 5.11 A): 1 out of 4 assignments used, quality = 0.99: QD1 LEU 14 + HB THR 84 OK 99 100 100 99 5.4-5.5 8425/3.0=90...(5) QD2 LEU 14 - HB THR 84 far 0 82 0 - 7.1-7.4 QG2 VAL 58 - HB THR 84 far 0 100 0 - 7.7-8.3 QG1 VAL 58 - HB THR 84 far 0 59 0 - 9.8-10.2 Violated in 0 structures by 0.00 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 3.8-3.9 8425=74, 10413/3.6=57...(7) QG2 VAL 58 - HA THR 84 far 0 85 0 - 6.4-6.9 QD1 ILE 7 - HA THR 84 far 0 77 0 - 7.4-7.9 Violated in 0 structures by 0.00 A. Peak 9838 from cnoeabs.peaks (1.57, 1.24, 21.00 ppm; 4.68 A): 1 out of 1 assignment used, quality = 0.94: HD3 LYS 82 + QG2 THR 84 OK 94 100 100 94 3.9-4.6 3.0/9841=67, 3.0/9840=59 Violated in 0 structures by 0.00 A. Peak 9839 from cnoeabs.peaks (2.08, 1.24, 21.00 ppm; 5.05 A): 1 out of 6 assignments used, quality = 0.72: HB VAL 83 + QG2 THR 84 OK 72 73 100 98 4.8-5.0 4.4/7365=71...(6) HB3 GLU 88 - QG2 THR 84 far 0 100 0 - 6.3-6.8 HB2 LEU 64 - QG2 THR 84 far 0 73 0 - 7.9-8.3 HB2 PRO 86 - QG2 THR 84 far 0 59 0 - 9.3-9.5 HB3 GLU 62 - QG2 THR 84 far 0 99 0 - 9.6-10.4 HB3 PRO 86 - QG2 THR 84 far 0 87 0 - 10.0-10.1 Violated in 0 structures by 0.00 A. Peak 9840 from cnoeabs.peaks (2.72, 1.24, 21.00 ppm; 5.02 A increased from 4.47 A): 1 out of 3 assignments used, quality = 0.92: HE2 LYS 82 + QG2 THR 84 OK 92 93 100 99 3.4-4.8 1.8/9841=90, 3.0/9838=73 HB3 ASP 61 - QG2 THR 84 far 0 98 0 - 7.0-8.2 HB3 ASN 10 - QG2 THR 84 far 0 70 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 9841 from cnoeabs.peaks (2.87, 1.24, 21.00 ppm; 4.54 A): 1 out of 2 assignments used, quality = 0.80: HE3 LYS 82 + QG2 THR 84 OK 80 96 90 92 3.2-4.9 1.8/9840=66, 3.0/9838=61...(4) HB2 ASN 60 - QG2 THR 84 far 0 90 0 - 6.8-7.4 Violated in 4 structures by 0.05 A. Peak 9843 from cnoeabs.peaks (5.05, 1.24, 21.00 ppm; 5.07 A): 1 out of 1 assignment used, quality = 0.47: HA SER 59 + QG2 THR 84 OK 47 99 100 47 3.1-3.4 10728/10948=37, ~9404=7...(4) Violated in 0 structures by 0.00 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 2.8-4.2 8599=99, 9847/1.8=77...(15) H LEU 14 - HB3 SER 9 far 6 65 10 - 5.0-6.6 HD22 ASN 10 - HB3 SER 9 far 0 38 0 - 6.5-8.8 H LEU 14 - HB2 SER 85 far 0 96 0 - 9.4-9.8 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 3.2-4.6 9849/1.8=87...(10) H TRP 92 - HB2 SER 85 far 0 100 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 9847 from cnoeabs.peaks (7.57, 4.19, 64.38 ppm; 4.85 A): 1 out of 2 assignments used, quality = 1.00: H GLU 88 + HB3 SER 85 OK 100 100 100 100 3.1-4.3 8599/1.8=93...(13) H LEU 14 - HB3 SER 85 far 0 96 0 - 8.5-8.9 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 5.1-6.1 7397/9847=89...(7) H ARG 91 - HB3 SER 85 far 0 59 0 - 7.8-9.1 Violated in 2 structures by 0.00 A. Peak 9849 from cnoeabs.peaks (8.13, 4.19, 64.38 ppm; 4.24 A): 1 out of 2 assignments used, quality = 0.99: H ASP 87 + HB3 SER 85 OK 99 100 100 99 2.5-3.5 9846/1.8=67, 9898/3.0=55...(12) H TRP 92 - HB3 SER 85 far 0 100 0 - 9.1-10.5 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 4.7-4.9 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 4.4-4.7 6372/3.6=91, 8599/4.9=77...(12) H GLU 88 + HD3 PRO 86 OK 100 100 100 100 5.3-5.6 6372/3.6=91, 8599/4.9=77...(12) H LEU 14 + HD3 PRO 86 OK 93 93 100 100 5.0-5.5 3.0/9884=91, ~9887=65...(18) H LEU 14 - HD2 PRO 86 far 0 93 0 - 6.8-7.2 Violated in 0 structures by 0.00 A. Peak 9852 from cnoeabs.peaks (8.04, 4.09, 65.04 ppm; 5.08 A): 1 out of 5 assignments used, quality = 0.99: H LYS 90 + HA PRO 86 OK 99 99 100 100 3.9-4.3 9950=98, 7415/10971=89...(10) H GLU 17 - HA PRO 86 far 0 85 0 - 5.6-6.0 H ILE 15 - HA PRO 86 far 0 65 0 - 6.2-6.5 H GLU 16 - HA PRO 86 far 0 90 0 - 7.1-7.6 H LYS 13 - HA PRO 86 far 0 63 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 9853 from cnoeabs.peaks (7.56, 4.09, 65.04 ppm; 5.35 A): 1 out of 2 assignments used, quality = 0.96: H GLU 88 + HA PRO 86 OK 96 96 100 100 3.9-4.4 7386/3.5=87...(14) H LEU 14 - HA PRO 86 far 0 100 0 - 5.7-6.1 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 1 assignment used, quality = 1.00: H ALA 89 + HA PRO 86 OK 100 100 100 100 3.3-3.5 9923=80, 7407/10971=80...(13) Violated in 0 structures by 0.00 A. Peak 9855 from cnoeabs.peaks (5.12, 4.09, 65.04 ppm; 5.64 A): 1 out of 2 assignments used, quality = 0.95: HA SER 85 + HA PRO 86 OK 95 95 100 100 4.4-4.4 4.8=100 HA ILE 7 - HA PRO 86 far 0 98 0 - 8.9-9.5 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 GLU 88 + HB3 PRO 86 OK 96 96 100 100 5.0-5.4 7386/7378=94...(12) H LEU 14 + HB2 PRO 86 OK 91 91 100 100 4.3-4.7 ~8422=70, ~9885=70...(15) H GLU 88 + HB2 PRO 86 OK 85 85 100 100 5.6-6.0 6372/2.3=92, 7386/3.9=90...(10) H LEU 14 + HB3 PRO 86 OK 55 100 55 100 6.0-6.4 ~8422=70, ~9885=70...(15) 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 5.3-5.5 9923/2.3=100...(12) H ALA 89 + HB2 PRO 86 OK 91 91 100 100 5.5-5.8 9923/2.3=100, ~10971=86...(12) Violated in 0 structures by 0.00 A. Peak 9858 from cnoeabs.peaks (5.13, 2.10, 31.71 ppm; 5.48 A): 2 out of 2 assignments used, quality = 1.00: HA SER 85 + HB3 PRO 86 OK 100 100 100 100 5.6-5.6 10956/2.3=84...(10) HA SER 85 + HB2 PRO 86 OK 91 91 100 100 4.8-4.9 10956/2.3=84...(11) Violated in 0 structures by 0.00 A. Peak 9866 from cnoeabs.peaks (1.92, 5.14, 55.20 ppm; 5.70 A increased from 5.07 A): 2 out of 5 assignments used, quality = 0.96: HG3 GLU 88 + HA SER 85 OK 92 92 100 100 4.5-5.7 ~9874=66, 10302/3.0=65...(13) HB3 LEU 14 + HA SER 85 OK 50 91 55 100 5.6-6.2 3.1/8424=90, ~10413=55...(11) HB3 LYS 13 - HA SER 85 far 0 99 0 - 6.9-8.0 HB2 LYS 13 - HA SER 85 far 0 100 0 - 7.1-8.0 HB2 GLU 17 - HA SER 85 far 0 94 0 - 7.8-8.9 Violated in 0 structures by 0.00 A. Peak 9867 from cnoeabs.peaks (0.69, 5.14, 55.20 ppm; 4.28 A): 1 out of 3 assignments used, quality = 0.99: QD1 LEU 14 + HA SER 85 OK 99 99 100 100 2.4-2.8 8424=98, 10413/3.0=63...(18) QD2 LEU 14 - HA SER 85 far 0 91 0 - 5.0-5.5 QG2 VAL 58 - HA SER 85 far 0 98 0 - 9.5-9.8 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 3.2-5.6 4.0/9846=73, 4.6/8599=72...(9) HB3 ASP 87 + HB2 SER 85 OK 83 98 85 100 4.2-6.4 4.0/9846=73, 4.6/8599=72...(10) HD2 ARG 91 - HB2 SER 85 far 0 100 0 - 8.6-9.6 HG3 GLU 63 - HB3 SER 9 far 0 47 0 - 8.7-10.1 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 = 0.83: HG2 GLU 88 + HB2 SER 85 OK 78 79 100 99 2.3-4.8 10305=72, 4.9/8599=60...(7) HG3 PRO 86 + HB2 SER 85 OK 21 85 25 100 4.8-6.4 9873/1.8=83, ~9875=61...(12) HB2 GLU 63 - HB3 SER 9 far 0 52 0 - 7.7-9.4 HB3 GLU 16 - HB3 SER 9 far 0 71 0 - 8.4-11.7 HG3 PRO 86 - HB3 SER 9 far 0 55 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 9870 from cnoeabs.peaks (2.09, 3.90, 64.38 ppm; 5.16 A increased from 4.59 A): 2 out of 8 assignments used, quality = 0.96: HB VAL 83 + HB2 SER 85 OK 87 92 100 94 4.7-5.1 9774/4.0=63...(5) HB3 GLU 88 + HB2 SER 85 OK 71 96 75 98 5.0-5.8 3.9/8599=73...(6) HB3 PRO 86 - HB2 SER 85 far 0 98 0 - 6.0-7.1 HB2 PRO 86 - HB2 SER 85 far 0 82 0 - 6.1-6.9 HB VAL 83 - HB3 SER 9 far 0 61 0 - 7.2-9.2 HB2 PRO 86 - HB3 SER 9 far 0 52 0 - 7.8-8.5 HB2 GLU 16 - HB3 SER 9 far 0 64 0 - 8.5-10.5 HB3 PRO 86 - HB3 SER 9 far 0 68 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 9871 from cnoeabs.peaks (1.69, 3.90, 64.38 ppm; 5.91 A): 1 out of 11 assignments used, quality = 0.71: HG12 ILE 15 + HB3 SER 9 OK 71 71 100 100 2.5-5.0 8320/1.8=88, ~8444=83...(14) HG2 PRO 86 - HB2 SER 85 far 15 100 15 - 5.5-6.4 HD2 LYS 12 - HB3 SER 9 far 10 68 15 - 6.1-11.0 HD3 LYS 12 - HB3 SER 9 far 3 68 5 - 6.2-10.7 HD3 LYS 90 - HB2 SER 85 far 0 99 0 - 7.1-9.3 HD3 LYS 33 - HB3 SER 9 far 0 40 0 - 7.8-10.3 HB3 ARG 91 - HB2 SER 85 far 0 100 0 - 7.8-9.1 HD2 LYS 33 - HB3 SER 9 far 0 40 0 - 9.2-11.0 HG2 PRO 86 - HB3 SER 9 far 0 71 0 - 9.2-10.4 HD2 LYS 13 - HB3 SER 9 far 0 68 0 - 9.8-12.2 HD3 LYS 13 - HB3 SER 9 far 0 66 0 - 10.0-12.6 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 = 0.99: HB2 ASP 87 + HB3 SER 85 OK 94 98 100 96 3.0-4.2 4.0/9849=63, 4.6/9847=49...(11) HB3 ASP 87 + HB3 SER 85 OK 84 98 90 96 3.2-5.9 4.0/9849=63, 4.6/9847=49...(9) HD2 ARG 91 - HB3 SER 85 far 0 100 0 - 8.7-10.2 Violated in 0 structures by 0.00 A. Peak 9873 from cnoeabs.peaks (2.18, 4.19, 64.38 ppm; 4.93 A): 1 out of 1 assignment used, quality = 0.97: HG3 PRO 86 + HB3 SER 85 OK 97 98 100 100 3.7-4.9 1.8/9875=71, 9891/3.0=62...(12) Violated in 1 structures by 0.00 A. Peak 9874 from cnoeabs.peaks (2.10, 4.19, 64.38 ppm; 4.76 A): 1 out of 5 assignments used, quality = 0.52: HG2 GLU 88 + HB3 SER 85 OK 52 63 90 91 2.9-5.6 4.9/9847=44...(9) HB3 PRO 86 - HB3 SER 85 far 0 100 0 - 5.2-5.9 HB2 PRO 86 - HB3 SER 85 far 0 96 0 - 5.3-5.8 HB VAL 83 - HB3 SER 85 far 0 99 0 - 5.5-6.2 HB3 GLU 88 - HB3 SER 85 far 0 82 0 - 5.7-6.8 Violated in 4 structures by 0.09 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 3.8-4.8 1.8/9873=89...(11) HD3 LYS 90 - HB3 SER 85 far 0 100 0 - 6.3-7.9 HD2 LYS 90 - HB3 SER 85 far 0 59 0 - 6.3-7.9 HB3 ARG 91 - HB3 SER 85 far 0 94 0 - 8.0-9.4 HD3 LYS 13 - HB3 SER 85 far 0 100 0 - 9.3-12.1 HD2 LYS 13 - HB3 SER 85 far 0 100 0 - 9.3-11.5 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 4.2-4.6 8424/3.0=84...(12) QD2 LEU 14 - HB3 SER 85 far 0 71 0 - 6.8-7.2 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 4 assignments used, quality = 1.00: HB2 LEU 14 + HD3 PRO 86 OK 100 100 100 100 3.1-3.5 3.0/9884=78...(31) HB2 LEU 14 + HD2 PRO 86 OK 100 100 100 100 4.9-5.2 12221/2.3=68...(32) HG3 LYS 13 - HD3 PRO 86 far 0 79 0 - 7.5-8.4 HG3 LYS 13 - HD2 PRO 86 far 0 79 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 9878 from cnoeabs.peaks (1.34, 3.98, 50.67 ppm; 5.41 A): 2 out of 4 assignments used, quality = 0.99: HG LEU 14 + HD3 PRO 86 OK 99 99 100 100 4.3-4.9 8407/3.6=84...(25) QB ALA 89 + HD3 PRO 86 OK 59 100 60 99 5.5-5.9 10971/3.6=90...(8) HG LEU 14 - HD2 PRO 86 far 15 98 15 - 5.6-6.1 QB ALA 89 - HD2 PRO 86 far 0 100 0 - 5.9-6.2 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 2.3-3.0 8411/3.6=59, 12017=49...(31) QD1 LEU 14 + HD2 PRO 86 OK 96 96 100 100 3.5-4.0 8411/3.6=59, 12017=48...(30) 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 2.6-3.0 10971=91, 7407/9854=39...(12) HG LEU 14 + HA PRO 86 OK 97 99 100 99 2.5-3.2 8407=67, 2.1/8411=63...(16) Violated in 0 structures by 0.00 A. Peak 9881 from cnoeabs.peaks (0.68, 4.09, 65.04 ppm; 3.67 A): 1 out of 4 assignments used, quality = 1.00: QD1 LEU 14 + HA PRO 86 OK 100 100 100 100 2.2-3.0 8411=100, 2.1/8407=64...(24) QD2 LEU 14 - HA PRO 86 far 0 82 0 - 4.1-4.7 QD1 LEU 29 - HA PRO 86 far 0 81 0 - 7.6-8.2 QD2 LEU 29 - HA PRO 86 far 0 59 0 - 8.7-9.5 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 4.2-4.7 10971/2.3=87, ~9923=48...(9) QB ALA 89 + HB3 PRO 86 OK 82 82 100 99 4.2-4.7 10971/2.3=87, ~9923=48...(10) HG LEU 14 + HB2 PRO 86 OK 79 79 100 100 3.3-3.9 ~8411=65, 8407/2.3=64...(30) HG2 LYS 90 + HB3 PRO 86 OK 55 58 100 94 4.0-4.6 4.9/9944=31...(14) HG LEU 14 + HB3 PRO 86 OK 50 67 75 100 4.7-5.3 ~8411=65, 8407/2.3=64...(31) HG2 LYS 90 - HB2 PRO 86 far 3 70 5 - 4.9-5.6 Violated in 0 structures by 0.00 A. Peak 9883 from cnoeabs.peaks (0.67, 2.12, 31.71 ppm; 4.71 A): 3 out of 8 assignments used, quality = 1.00: QD1 LEU 14 + HB2 PRO 86 OK 99 99 100 100 3.3-3.7 8411/2.3=93, 9889/2.3=64...(34) QD1 LEU 14 + HB3 PRO 86 OK 90 90 100 100 4.3-4.8 8411/2.3=93, 9889/2.3=64...(35) QD2 LEU 14 + HB2 PRO 86 OK 46 57 80 100 4.8-5.1 ~8411=64, ~9881=62...(31) QD2 LEU 14 - HB3 PRO 86 far 0 48 0 - 5.9-6.4 QD1 LEU 29 - HB2 PRO 86 far 0 96 0 - 8.3-9.1 QD1 LEU 29 - HB3 PRO 86 far 0 85 0 - 8.6-9.2 QD2 LEU 29 - HB2 PRO 86 far 0 84 0 - 9.2-9.9 QD2 LEU 29 - HB3 PRO 86 far 0 72 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 9884 from cnoeabs.peaks (3.68, 3.98, 50.67 ppm; 4.75 A): 1 out of 6 assignments used, quality = 1.00: HA LEU 14 + HD3 PRO 86 OK 100 100 100 100 3.6-4.2 9887/2.3=72, 8422/3.6=67...(20) HA LEU 14 - HD2 PRO 86 far 0 100 0 - 5.1-5.6 HA GLU 88 - HD2 PRO 86 far 0 93 0 - 7.2-7.5 HA GLU 88 - HD3 PRO 86 far 0 93 0 - 8.2-8.4 HA LYS 90 - HD2 PRO 86 far 0 99 0 - 9.6-9.9 HA LYS 90 - HD3 PRO 86 far 0 99 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 9885 from cnoeabs.peaks (3.67, 4.09, 65.04 ppm; 4.18 A): 1 out of 3 assignments used, quality = 0.96: HA LEU 14 + HA PRO 86 OK 96 96 100 100 3.0-3.5 8422=92, 619/8411=59...(16) HA LYS 90 - HA PRO 86 far 0 100 0 - 6.2-6.7 HA GLU 88 - HA PRO 86 far 0 100 0 - 6.3-6.6 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 1.9-2.3 9885/2.3=70, 9887/2.3=57...(26) HA LEU 14 + HB3 PRO 86 OK 89 89 100 100 3.5-3.9 9885/2.3=70, 9887/2.3=57...(24) HA LYS 90 - HB3 PRO 86 far 0 92 0 - 6.5-7.1 HA GLU 88 - HB3 PRO 86 far 0 87 0 - 7.4-7.7 HA LYS 90 - HB2 PRO 86 far 0 100 0 - 7.4-8.0 HA GLU 88 - HB2 PRO 86 far 0 98 0 - 8.2-8.4 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 3 assignments used, quality = 0.99: HA LEU 14 + HG2 PRO 86 OK 99 99 100 100 3.6-4.8 9884/2.3=73, 9890/1.8=70...(18) HA GLU 88 - HG2 PRO 86 far 0 98 0 - 7.5-9.0 HA LYS 90 - HG2 PRO 86 far 0 100 0 - 8.4-9.6 Violated in 2 structures by 0.00 A. Peak 9888 from cnoeabs.peaks (1.47, 2.19, 27.30 ppm; 5.03 A): 1 out of 5 assignments used, quality = 0.49: HG13 ILE 76 + HB3 GLU 75 OK 49 57 100 87 4.2-4.9 1642/4.1=65, 1.8/9663=30...(7) HG3 LYS 13 - HG3 PRO 86 far 0 84 0 - 6.7-9.5 HG2 LYS 73 - HB3 GLU 75 far 0 79 0 - 8.8-9.9 HB2 ARG 91 - HG3 PRO 86 far 0 96 0 - 9.0-11.1 HG2 LYS 20 - HG3 PRO 86 far 0 97 0 - 9.5-12.9 Violated in 0 structures by 0.00 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 4.3-5.0 8411/3.8=81, 9545/1.8=67...(25) QD2 LEU 14 - HG3 PRO 86 far 0 57 0 - 6.3-7.1 QD1 LEU 42 - HB3 GLU 75 far 0 80 0 - 7.9-8.5 QG2 VAL 54 - HB3 GLU 75 far 0 86 0 - 9.3-10.1 QD1 ILE 52 - HB3 GLU 75 far 0 72 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 9890 from cnoeabs.peaks (3.67, 2.19, 27.30 ppm; 5.17 A): 1 out of 3 assignments used, quality = 0.99: HA LEU 14 + HG3 PRO 86 OK 99 99 100 100 3.6-5.2 9887/1.8=89, 9884/2.3=83...(14) HA GLU 88 - HG3 PRO 86 far 0 98 0 - 7.4-8.9 HA LYS 90 - HG3 PRO 86 far 0 100 0 - 8.5-9.4 Violated in 1 structures by 0.00 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...(11) Violated in 0 structures by 0.00 A. Peak 9892 from cnoeabs.peaks (1.91, 3.98, 50.67 ppm; 5.31 A increased from 5.00 A): 2 out of 10 assignments used, quality = 0.99: HB3 LEU 14 + HD3 PRO 86 OK 99 99 100 100 4.9-5.2 3.0/9884=78...(33) HB3 LYS 13 + HD3 PRO 86 OK 38 100 95 40 4.8-5.8 8393/9884=22...(3) HB2 LYS 13 - HD3 PRO 86 poor 18 100 40 46 5.2-6.1 8393/9884=22...(4) HG3 GLU 88 - HD2 PRO 86 poor 15 73 20 - 5.0-6.6 HG3 GLU 88 - HD3 PRO 86 far 0 73 0 - 5.9-7.5 HB3 LYS 13 - HD2 PRO 86 far 0 100 0 - 6.0-7.2 HB2 GLU 17 - HD3 PRO 86 far 0 77 0 - 6.2-7.2 HB2 GLU 17 - HD2 PRO 86 far 0 77 0 - 6.5-7.5 HB3 LEU 14 - HD2 PRO 86 far 0 99 0 - 6.6-6.9 HB2 LYS 13 - HD2 PRO 86 far 0 100 0 - 6.7-7.6 Violated in 0 structures by 0.00 A. Peak 9893 from cnoeabs.peaks (2.49, 3.98, 50.67 ppm; 5.74 A): 3 out of 4 assignments used, quality = 1.00: HB2 ASP 87 + HD2 PRO 86 OK 93 100 100 93 4.1-4.5 ~10967=57, 4.0/7382=44...(6) HB3 ASP 87 + HD2 PRO 86 OK 90 100 100 91 4.4-5.9 ~10967=57, 4.0/7382=44...(6) HB2 ASP 87 + HD3 PRO 86 OK 74 100 80 93 5.7-6.1 ~10967=57, 4.0/7382=44...(6) HB3 ASP 87 - HD3 PRO 86 far 5 100 5 - 6.0-7.4 Violated in 0 structures by 0.00 A. Peak 9894 from cnoeabs.peaks (1.93, 4.09, 65.04 ppm; 4.88 A): 2 out of 7 assignments used, quality = 0.90: HB2 GLU 17 + HA PRO 86 OK 85 98 100 86 3.8-4.9 735/8422=37, ~12333=23...(13) HB3 LEU 14 + HA PRO 86 OK 33 82 40 100 5.0-5.4 3.1/8411=87, 3.0/8407=84...(20) HG3 GLU 88 - HA PRO 86 far 0 97 0 - 5.2-6.8 HB3 LYS 13 - HA PRO 86 far 0 96 0 - 6.6-7.1 HB2 LYS 13 - HA PRO 86 far 0 98 0 - 6.7-7.9 HB3 LYS 20 - HA PRO 86 far 0 100 0 - 8.9-11.7 HB3 ARG 19 - HA PRO 86 far 0 100 0 - 9.5-10.1 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 3.9-4.4 3.1/8411=96, 3.0/8407=94...(21) HG LEU 57 - HA PRO 86 far 0 94 0 - 7.2-8.4 HB ILE 7 - HA PRO 86 far 0 100 0 - 8.1-8.7 HB2 ARG 91 - HA PRO 86 far 0 71 0 - 8.5-8.9 HG3 LYS 13 - HA PRO 86 far 0 90 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 9896 from cnoeabs.peaks (7.46, 4.22, 57.31 ppm; 4.58 A): 2 out of 2 assignments used, quality = 1.00: H ARG 91 + HA ASP 87 OK 99 99 100 100 4.1-4.5 9963=96, 7431/10962=70...(10) H ALA 89 + HA ASP 87 OK 45 65 70 99 4.6-5.0 3.6/9904=54, 9897/2.9=54...(10) 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 = 0.99: HA GLU 88 + HA ASP 87 OK 99 100 100 100 4.7-4.8 3.6/9924=58...(15) HA LYS 90 - HA ASP 87 far 0 100 0 - 5.8-6.1 HA LEU 14 - HA ASP 87 far 0 96 0 - 7.2-7.6 Violated in 0 structures by 0.00 A. Peak 9905 from cnoeabs.peaks (3.69, 2.50, 40.10 ppm; 4.73 A): 4 out of 9 assignments used, quality = 0.99: HA GLU 37 + HB3 ASP 36 OK 85 86 100 99 4.0-4.7 3.0/6569=67, 8833=61...(14) HA GLU 88 + HB3 ASP 87 OK 74 75 100 99 4.1-4.6 9904/3.0=46, 9903/4.0=45...(16) HA GLU 88 + HB2 ASP 87 OK 44 75 60 98 4.2-5.7 9904/3.0=46, 9903/4.0=45...(14) HA GLU 37 + HB2 ASP 36 OK 39 87 45 99 4.1-5.6 8833/1.8=49, ~6570=47...(13) HA LYS 90 - HB3 ASP 87 far 0 91 0 - 7.7-8.4 HA LEU 14 - HB2 ASP 87 far 0 99 0 - 7.9-8.5 HA LYS 90 - HB2 ASP 87 far 0 91 0 - 8.3-8.6 HA LEU 14 - HB3 ASP 87 far 0 99 0 - 8.3-9.6 HB THR 80 - HB2 ASP 61 far 0 69 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 9906 from cnoeabs.peaks (2.92, 4.22, 57.31 ppm; 4.76 A increased from 4.48 A): 1 out of 7 assignments used, quality = 0.98: HE3 LYS 90 + HA ASP 87 OK 98 98 100 100 4.1-4.6 1.8/9907=86...(12) HG2 MET 21 - HA ASP 87 far 0 96 0 - 6.3-6.8 HE2 LYS 94 - HA ASP 87 far 0 100 0 - 7.7-12.8 HE2 LYS 20 - HA ASP 87 far 0 98 0 - 7.7-12.9 HE3 LYS 94 - HA ASP 87 far 0 98 0 - 8.2-12.9 HE3 LYS 20 - HA ASP 87 far 0 99 0 - 8.8-12.5 HE3 LYS 13 - HA ASP 87 far 0 70 0 - 8.9-13.8 Violated in 0 structures by 0.00 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 3.2-4.4 10314=99, 1.8/9906=70...(13) Violated in 0 structures by 0.00 A. Peak 9908 from cnoeabs.peaks (1.81, 4.22, 57.31 ppm; 3.52 A): 1 out of 4 assignments used, quality = 0.98: HB2 LYS 90 + HA ASP 87 OK 98 100 100 98 3.1-3.6 9953=50, 7417/10962=45...(10) HB3 LYS 90 - HA ASP 87 far 0 92 0 - 4.6-5.1 HB2 GLU 88 - HA ASP 87 far 0 100 0 - 5.7-6.0 HB ILE 93 - HA ASP 87 far 0 99 0 - 8.6-8.9 Violated in 1 structures by 0.00 A. Peak 9909 from cnoeabs.peaks (1.71, 4.22, 57.31 ppm; 3.99 A): 2 out of 8 assignments used, quality = 0.99: HD3 LYS 90 + HA ASP 87 OK 95 96 100 100 2.3-3.4 3.6/9908=58, 3.0/9907=52...(12) HD2 LYS 90 + HA ASP 87 OK 82 82 100 100 1.9-2.0 3.6/9908=58, 3.0/9907=52...(12) HG2 PRO 86 - HA ASP 87 far 9 92 10 - 4.1-5.8 HB3 ARG 91 - HA ASP 87 far 0 77 0 - 5.4-5.9 HD3 LYS 20 - HA ASP 87 far 0 61 0 - 8.7-12.0 HG3 LYS 20 - HA ASP 87 far 0 61 0 - 9.1-12.1 HD2 LYS 20 - HA ASP 87 far 0 68 0 - 9.4-11.8 HD2 LYS 13 - HA ASP 87 far 0 98 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 9910 from cnoeabs.peaks (1.58, 4.22, 57.31 ppm; 4.98 A increased from 4.43 A): 1 out of 3 assignments used, quality = 1.00: HG3 LYS 90 + HA ASP 87 OK 100 100 100 100 4.6-5.0 2.8/9908=92, 1.8/9911=89...(14) HD3 LYS 94 - HA ASP 87 far 0 98 0 - 7.2-10.9 HD2 LYS 94 - HA ASP 87 far 0 59 0 - 7.4-11.5 Violated in 0 structures by 0.00 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 4.0-4.6 2.8/9908=84, 1.8/9910=68...(14) 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 2.1-2.8 9813=89, 2.1/9822=73...(28) QG2 VAL 83 + HB2 GLU 88 OK 82 82 100 100 3.4-3.9 2.1/9813=79, 2.1/9822=73...(28) QG2 THR 80 - HB2 GLU 104 far 0 87 0 - 9.0-22.4 HG LEU 55 - HB2 GLU 88 far 0 84 0 - 9.2-10.1 HB3 LEU 55 - HB2 GLU 104 far 0 51 0 - 9.8-19.6 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 2 assignments used, quality = 0.99: QG2 VAL 83 + HG3 GLU 88 OK 91 91 100 100 4.7-5.0 2.1/9814=77, 9815=69...(28) QG1 VAL 83 + HG3 GLU 88 OK 84 84 100 100 3.1-4.2 9814=69, 9813/3.0=69...(28) 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 = 0.88: QG1 VAL 83 + HG2 GLU 88 OK 84 84 100 100 2.8-4.4 9814/1.8=73, 9813/3.0=71...(26) QG2 VAL 83 + HG2 GLU 88 OK 23 91 25 100 4.8-6.0 9815/1.8=69, ~9814=69...(26) Violated in 0 structures by 0.00 A. Peak 9916 from cnoeabs.peaks (1.32, 2.08, 30.05 ppm; 5.01 A): 2 out of 8 assignments used, quality = 0.97: QB ALA 89 + HB3 GLU 88 OK 96 96 100 100 4.4-5.0 2.1/10306=84...(17) HB3 LEU 2 + HB3 GLU 48 OK 24 30 80 99 4.3-5.6 ~9038=48, ~8056=42...(17) HG LEU 14 - HB3 GLU 88 far 0 84 0 - 7.4-8.3 HG2 LYS 90 - HB3 GLU 88 far 0 63 0 - 7.5-8.1 HG LEU 3 - HB3 GLU 48 far 0 22 0 - 8.5-10.1 HG2 LYS 94 - HB3 GLU 88 far 0 96 0 - 8.6-11.4 HB2 LYS 82 - HB3 GLU 88 far 0 93 0 - 8.7-9.3 HB3 LEU 42 - HB3 GLU 48 far 0 25 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 9917 from cnoeabs.peaks (1.00, 2.08, 30.05 ppm; 4.25 A): 2 out of 3 assignments used, quality = 0.99: QG1 VAL 83 + HB3 GLU 88 OK 97 97 100 100 1.9-2.3 9813/1.8=86, ~9822=56...(30) QG2 VAL 83 + HB3 GLU 88 OK 64 71 90 100 4.0-4.7 ~9813=59, ~9822=56...(29) HG LEU 55 - HB3 GLU 88 far 0 73 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 9918 from cnoeabs.peaks (0.98, 3.66, 58.73 ppm; 5.57 A): 2 out of 5 assignments used, quality = 0.87: QG1 VAL 83 + HA GLU 88 OK 73 73 100 100 3.8-4.2 9912/3.0=84, ~9822=68...(24) QG2 VAL 83 + HA GLU 88 OK 53 96 55 100 5.7-6.1 9780/3.6=82...(23) QG2 VAL 83 - HA LEU 14 far 0 50 0 - 6.2-6.9 QG1 VAL 83 - HA LEU 14 far 0 34 0 - 7.8-8.3 HG LEU 55 - HA GLU 88 far 0 97 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 9920 from cnoeabs.peaks (9.19, 1.81, 30.05 ppm; 5.05 A): 1 out of 2 assignments used, quality = 0.98: H THR 84 + HB2 GLU 88 OK 98 98 100 100 3.9-4.3 9831=96, 4.0/9813=75...(11) H ILE 56 - HB2 GLU 104 far 0 90 0 - 10.0-22.2 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 3.2-5.1 9832/1.8=80, 9831/3.0=78...(8) Violated in 0 structures by 0.00 A. Peak 9922 from cnoeabs.peaks (6.86, 1.94, 36.78 ppm; 6.28 A): 1 out of 1 assignment used, quality = 0.99: HD1 TRP 92 + HG3 GLU 88 OK 99 99 100 100 4.9-5.5 2.6/9973=93...(12) Violated in 0 structures by 0.00 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 2.8-3.2 9824=93, 2.1/9825=54...(24) QG2 VAL 83 + HA ALA 89 OK 47 59 80 99 3.3-3.7 2.1/9824=63, 9818/2.1=34...(23) HG LEU 55 - HA ALA 89 far 0 61 0 - 6.1-6.7 HB3 LEU 55 - HA ALA 89 far 0 85 0 - 7.2-8.9 QG2 THR 80 - HA ALA 89 far 0 90 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 9929 from cnoeabs.peaks (0.80, 3.90, 55.61 ppm; 3.40 A): 2 out of 9 assignments used, quality = 0.88: QD1 LEU 57 + HA ALA 89 OK 77 79 100 97 2.2-2.9 9808/9824=52, 10698=44...(15) QD1 ILE 93 + HA ALA 89 OK 49 79 75 83 3.0-4.3 10321/2.1=45...(9) QD2 LEU 57 - HA ALA 89 far 0 100 0 - 4.2-4.7 QG2 ILE 7 - HA ALA 89 far 0 100 0 - 7.3-7.6 QG2 ILE 15 - HA ALA 89 far 0 99 0 - 8.7-9.3 QD1 LEU 27 - HA ALA 89 far 0 77 0 - 8.7-9.3 QG2 ILE 8 - HA ALA 89 far 0 98 0 - 9.8-10.5 QD1 ILE 15 - HA ALA 89 far 0 59 0 - 9.9-10.5 QG1 VAL 54 - HA ALA 89 far 0 63 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 9930 from cnoeabs.peaks (0.69, 3.90, 55.61 ppm; 4.35 A): 0 out of 7 assignments used, quality = 0.00: QD1 LEU 14 - HA ALA 89 far 0 98 0 - 5.0-5.6 QG1 VAL 5 - HA ALA 89 far 0 65 0 - 5.1-5.9 QD2 LEU 14 - HA ALA 89 far 0 94 0 - 5.6-6.3 QD1 LEU 29 - HA ALA 89 far 0 63 0 - 6.1-6.7 QG2 VAL 58 - HA ALA 89 far 0 96 0 - 8.3-8.7 QG1 VAL 58 - HA ALA 89 far 0 77 0 - 8.6-8.8 QD1 ILE 8 - HA ALA 89 far 0 93 0 - 9.8-10.5 Violated in 20 structures by 0.15 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 2.6-3.2 9818=96, 2.1/9810=53...(20) QG2 VAL 5 - QB ALA 89 far 0 99 0 - 5.8-6.5 HG LEU 55 - QB ALA 89 far 0 99 0 - 6.0-6.7 HB2 ARG 81 - QB ALA 89 far 0 90 0 - 7.0-8.3 QG2 THR 80 - QB ALA 89 far 0 84 0 - 8.5-8.9 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 15 assignments used, quality = 0.93: QD1 ILE 93 + QB ALA 89 OK 93 100 100 93 2.1-3.1 10321=61, 9947/10787=28...(12) HG13 ILE 93 - QB ALA 89 far 0 93 0 - 3.5-4.1 QD2 LEU 57 - QB ALA 89 far 0 71 0 - 4.1-5.1 QG1 VAL 5 - QB ALA 89 far 0 65 0 - 4.3-5.0 QG2 ILE 7 - QB ALA 89 far 0 65 0 - 5.0-5.3 QG2 ILE 93 - QB ALA 89 far 0 98 0 - 5.2-5.5 HG3 ARG 81 - QB ALA 89 far 0 88 0 - 6.1-8.4 HG13 ILE 15 - QB ALA 89 far 0 99 0 - 6.2-6.7 QD1 ILE 15 - QB ALA 89 far 0 100 0 - 6.8-7.3 QG2 ILE 8 - QB ALA 89 far 0 87 0 - 7.7-8.4 QD1 LEU 27 - QB ALA 89 far 0 100 0 - 7.7-8.1 QD1 LEU 64 - QB ALA 89 far 0 91 0 - 8.4-8.7 QG1 VAL 54 - QB ALA 89 far 0 100 0 - 8.6-9.1 QD1 LEU 6 - QB ALA 89 far 0 99 0 - 9.3-9.6 QD2 LEU 27 - QB ALA 89 far 0 71 0 - 9.8-10.2 Violated in 1 structures by 0.00 A. Peak 9933 from cnoeabs.peaks (2.08, 1.34, 17.35 ppm; 4.08 A increased from 3.63 A): 1 out of 7 assignments used, quality = 0.79: HB VAL 83 + QB ALA 89 OK 79 79 100 100 3.7-4.1 2.1/9931=88, 2.1/9810=78...(16) HB2 PRO 86 - QB ALA 89 poor 20 65 30 - 4.2-4.7 HB3 PRO 86 - QB ALA 89 far 5 91 5 - 4.2-4.7 HB3 GLU 88 - QB ALA 89 far 0 100 0 - 4.4-5.0 HB2 MET 21 - QB ALA 89 far 0 71 0 - 4.8-5.3 QE MET 21 - QB ALA 89 far 0 96 0 - 5.8-6.3 HB2 GLU 16 - QB ALA 89 far 0 99 0 - 7.5-8.2 Violated in 3 structures by 0.01 A. Peak 9935 from cnoeabs.peaks (6.87, 3.90, 55.61 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: HD1 TRP 92 + HA ALA 89 OK 100 100 100 100 2.3-2.9 9796/9824=71, 14630=59...(14) Violated in 0 structures by 0.00 A. Peak 9936 from cnoeabs.peaks (6.88, 1.34, 17.35 ppm; 5.62 A): 1 out of 1 assignment used, quality = 0.99: HD1 TRP 92 + QB ALA 89 OK 99 99 100 100 3.9-4.3 9935/2.1=97...(11) Violated in 0 structures by 0.00 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...(14) H LEU 14 - QB ALA 89 far 0 100 0 - 6.7-6.9 H LYS 24 - QB ALA 89 far 0 92 0 - 9.4-9.7 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 = 0.95: H SER 85 + QB ALA 89 OK 95 96 100 100 4.7-5.0 10303/7407=74...(8) H MET 21 - QB ALA 89 far 0 92 0 - 6.0-6.6 H ASN 60 - QB ALA 89 far 0 84 0 - 9.3-9.7 H ALA 25 - QB ALA 89 far 0 100 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 9939 from cnoeabs.peaks (8.37, 1.34, 17.35 ppm; 4.90 A): 1 out of 2 assignments used, quality = 1.00: H ILE 93 + QB ALA 89 OK 100 100 100 100 4.3-4.6 4162/9932=78...(9) H GLU 95 - QB ALA 89 far 0 100 0 - 7.5-8.0 Violated in 0 structures by 0.00 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 3.8-4.1 2.9/12030=80, 8334=54...(7) H ASP 11 - QB ALA 89 far 0 96 0 - 8.2-8.7 H ASN 10 - QB ALA 89 far 0 96 0 - 8.7-9.2 H LEU 55 - QB ALA 89 far 0 91 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 9947 from cnoeabs.peaks (0.76, 3.67, 60.35 ppm; 3.59 A): 1 out of 8 assignments used, quality = 0.99: QD1 ILE 93 + HA LYS 90 OK 99 99 100 100 2.0-3.0 10025=65, 9932/10787=48...(17) HG13 ILE 93 - HA LYS 90 poor 19 96 20 - 3.7-4.7 QG2 ILE 93 - HA LYS 90 far 0 99 0 - 4.1-4.4 QG1 VAL 5 - HA LYS 90 far 0 71 0 - 6.1-6.8 QD2 LEU 57 - HA LYS 90 far 0 65 0 - 6.9-7.9 QD1 LEU 27 - HA LYS 90 far 0 99 0 - 7.4-8.0 QG2 ILE 7 - HA LYS 90 far 0 59 0 - 8.5-8.9 QD2 LEU 27 - HA LYS 90 far 0 77 0 - 9.9-10.4 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 2.8-3.4 3.0/3920=60, 8549=46...(20) HB3 LYS 94 - HA LYS 90 far 0 81 0 - 4.4-5.7 HG12 ILE 93 - HA LYS 90 far 0 98 0 - 4.6-5.2 HB3 GLU 88 - HA LYS 90 far 0 82 0 - 7.7-8.0 HB2 GLU 16 - HA LYS 90 far 0 85 0 - 9.8-10.5 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 3.6-4.3 1.8/3920=91, 3.0/9948=72...(23) HB3 MET 21 + HA LYS 90 OK 100 100 100 100 3.1-3.3 1.8/9948=89, 3.0/3920=73...(22) HG3 GLU 17 - HA LYS 90 far 0 85 0 - 6.7-8.2 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 4.0-4.6 9911=99, 9908/2.8=96...(14) HB3 SER 85 - HG2 LYS 90 far 0 85 0 - 7.7-9.0 Violated in 0 structures by 0.00 A. Peak 9953 from cnoeabs.peaks (4.22, 1.83, 32.09 ppm; 4.25 A): 1 out of 4 assignments used, quality = 0.78: HA ASP 87 + HB2 LYS 90 OK 78 78 100 100 3.1-3.6 9908=89, 9951/7418=64...(10) HA ASP 87 - HB3 LYS 90 far 0 100 0 - 4.6-5.1 HB3 SER 85 - HB2 LYS 90 far 0 52 0 - 7.7-9.0 HB3 SER 85 - HB3 LYS 90 far 0 75 0 - 9.3-10.7 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 2.2-3.6 4.1=100 HA ASP 87 + HG3 LYS 90 OK 61 61 100 100 4.6-5.0 10315/2.9=64...(14) HA GLN 72 - HG3 LYS 73 far 0 44 0 - 5.3-5.9 HA GLU 23 - HG2 LYS 24 far 0 40 0 - 5.7-7.5 HA LYS 13 - HG3 LYS 12 far 0 48 0 - 6.5-6.7 HB3 SER 85 - HG3 LYS 90 far 0 100 0 - 9.0-10.2 HA LYS 13 - HG3 LYS 90 far 0 75 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 9956 from cnoeabs.peaks (3.65, 3.89, 59.16 ppm; 5.06 A increased from 4.49 A): 1 out of 2 assignments used, quality = 0.96: HA LYS 90 + HA ARG 91 OK 96 96 100 99 4.7-4.8 10978/3.6=53, ~7431=52...(16) HA GLU 88 - HA ARG 91 far 0 100 0 - 5.4-5.7 Violated in 0 structures by 0.00 A. Peak 9958 from cnoeabs.peaks (3.66, 1.09, 26.75 ppm; 6.03 A): 1 out of 2 assignments used, quality = 0.96: HA GLU 88 + HG2 ARG 91 OK 96 96 100 100 4.5-5.9 4034/2.8=98, 4024/2.8=97...(15) HA LYS 90 - HG2 ARG 91 far 0 94 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 9959 from cnoeabs.peaks (3.67, 1.08, 26.80 ppm; 5.67 A): 1 out of 3 assignments used, quality = 1.00: HA GLU 88 + HG2 ARG 91 OK 100 100 100 100 4.5-5.9 4034/2.8=94, 4024/2.8=93...(15) HA LEU 42 - HG12 ILE 76 far 0 53 0 - 6.0-6.6 HA LYS 90 - HG2 ARG 91 far 0 100 0 - 7.1-7.9 Violated in 4 structures by 0.03 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 3.9-5.3 9961/1.8=83, 4034/3.5=79...(15) HA LYS 90 - HD3 ARG 91 far 0 91 0 - 7.2-8.4 Violated in 0 structures by 0.00 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 3.1-4.3 9960/1.8=80, 4034/3.5=79...(17) HA LYS 90 - HD2 ARG 91 far 0 94 0 - 7.1-8.5 Violated in 0 structures by 0.00 A. Peak 9962 from cnoeabs.peaks (2.12, 2.49, 43.24 ppm; 5.95 A increased from 5.60 A): 2 out of 4 assignments used, quality = 0.71: HB3 GLU 88 + HD2 ARG 91 OK 59 59 100 100 4.2-6.2 3.0/9961=82, ~9960=63...(11) HG2 GLU 88 + HD2 ARG 91 OK 28 85 45 73 4.8-6.9 4.2/9961=70, ~12316=8 HB VAL 83 - HD2 ARG 91 far 0 100 0 - 7.3-9.6 QE MET 21 - HD2 ARG 91 far 0 94 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 9964 from cnoeabs.peaks (7.00, 2.49, 43.24 ppm; 5.00 A): 1 out of 2 assignments used, quality = 1.00: HE ARG 91 + HD2 ARG 91 OK 100 100 100 100 2.3-2.9 2.9=100 QD PHE 96 - HD2 ARG 91 far 0 75 0 - 9.2-11.6 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 2 assignments used, quality = 1.00: * HE ARG 91 + HD3 ARG 91 OK 100 100 100 100 2.3-2.9 2.9=100 QD PHE 96 - HD3 ARG 91 far 0 68 0 - 8.0-11.9 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 3.2-3.4 7466=99, 7464/3.9=89...(13) H ASP 87 - HD1 TRP 92 far 0 100 0 - 7.6-7.9 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 3 assignments used, quality = 0.92: HB3 GLU 95 + HZ3 TRP 92 OK 92 93 100 99 4.8-6.3 14641/2.5=78, ~12282=77...(5) HG2 GLU 88 - HZ3 TRP 92 far 0 95 0 - 8.9-11.5 HB VAL 83 - HZ3 TRP 92 far 0 61 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 9977 from cnoeabs.peaks (4.81, 7.24, 124.39 ppm; 6.09 A increased from 5.73 A): 1 out of 2 assignments used, quality = 0.91: HA TRP 92 + HH2 TRP 92 OK 91 92 100 99 5.9-6.1 14659/2.4=89...(3) HA VAL 83 - HH2 TRP 92 far 0 92 0 - 8.3-8.9 Violated in 1 structures by 0.00 A. Peak 9978 from cnoeabs.peaks (4.80, 7.07, 122.39 ppm; 5.41 A): 1 out of 2 assignments used, quality = 0.86: HA TRP 92 + HZ3 TRP 92 OK 86 87 100 99 4.5-4.7 14638/2.5=92...(4) HA VAL 83 - HZ3 TRP 92 far 0 96 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 9979 from cnoeabs.peaks (3.88, 6.87, 127.01 ppm; 6.18 A): 2 out of 4 assignments used, quality = 0.92: HA ALA 89 + HD1 TRP 92 OK 88 88 100 100 2.3-2.9 2.1/9936=89, 3.0/9934=86...(14) HA ARG 91 + HD1 TRP 92 OK 34 99 35 99 6.2-6.6 3.6/7466=94...(4) HB2 SER 85 - HD1 TRP 92 far 0 85 0 - 7.2-8.3 HA LYS 94 - HD1 TRP 92 far 0 98 0 - 9.8-10.2 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 1 assignment used, quality = 0.95: HB3 TRP 92 + HE3 TRP 92 OK 95 95 100 100 2.8-3.0 4.2=100 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 4 assignments used, quality = 0.95: HB2 TRP 92 + HE3 TRP 92 OK 93 93 100 100 4.2-4.2 4.2=100 HB2 PHE 96 + HE3 TRP 92 OK 30 95 90 36 5.0-6.3 9254/9276=25...(3) HD3 ARG 79 - HE3 TRP 92 far 0 99 0 - 6.3-8.5 HD2 ARG 79 - HE3 TRP 92 far 0 99 0 - 7.3-8.7 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 3 assignments used, quality = 0.99: HB3 GLU 95 + HE3 TRP 92 OK 97 98 100 100 3.6-5.3 1.8/12282=93...(4) HB2 GLU 95 + HE3 TRP 92 OK 68 71 100 96 3.4-5.2 2.9/11015=72, ~9976=55...(4) HG2 GLU 88 - HE3 TRP 92 far 0 77 0 - 8.3-10.3 Violated in 0 structures by 0.00 A. Peak 9984 from cnoeabs.peaks (0.97, 3.10, 29.79 ppm; 5.80 A): 3 out of 5 assignments used, quality = 1.00: HG LEU 55 + HB2 TRP 92 OK 99 99 100 100 4.9-5.9 2.1/9987=95, ~9264=83...(11) QG2 VAL 83 + HB2 TRP 92 OK 99 99 100 100 4.8-5.1 9782/3.9=80...(9) QG1 VAL 83 + HB2 TRP 92 OK 63 63 100 100 3.6-4.1 10993/7464=63, 10946=51...(11) QG2 VAL 5 - HB2 TRP 92 poor 20 82 30 79 5.7-6.7 2549/9987=38...(8) QG2 THR 80 - HB2 TRP 92 far 0 100 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 9985 from cnoeabs.peaks (0.80, 3.10, 29.79 ppm; 4.28 A): 3 out of 10 assignments used, quality = 1.00: QD2 LEU 57 + HB2 TRP 92 OK 99 100 100 99 3.6-4.1 2.1/9357=78, ~9358=52...(12) QD1 LEU 57 + HB2 TRP 92 OK 80 81 100 100 2.6-3.0 9357=74, 9358/1.8=58...(16) QD1 ILE 93 + HB2 TRP 92 OK 62 77 90 90 3.6-4.8 5.0/7484=39...(9) QD2 LEU 103 - HB2 HIS 105 far 2 43 5 - 3.9-9.6 QD1 LEU 27 - HB2 TRP 92 far 0 75 0 - 7.6-8.2 QG2 ILE 7 - HB2 TRP 92 far 0 100 0 - 8.6-8.9 QD2 LEU 103 - HB2 TRP 92 far 0 82 0 - 8.7-18.6 QG1 VAL 54 - HB2 TRP 92 far 0 61 0 - 9.3-10.1 QG2 ILE 52 - HB2 HIS 105 far 0 50 0 - 9.6-17.7 QD1 LEU 27 - HB2 HIS 105 far 0 39 0 - 9.7-20.0 Violated in 0 structures by 0.00 A. Peak 9986 from cnoeabs.peaks (0.71, 3.10, 29.79 ppm; 6.50 A): 3 out of 9 assignments used, quality = 0.99: QG1 VAL 5 + HB2 TRP 92 OK 90 95 100 95 4.9-5.8 8195/9987=85...(7) HG3 ARG 81 + HB2 TRP 92 OK 74 77 100 96 5.5-6.5 ~12215=71, 12216=48...(8) HG13 ILE 93 + HB2 TRP 92 OK 69 70 100 100 3.3-3.7 4.6/7484=86...(9) QD1 LEU 14 - HB2 TRP 92 far 0 73 0 - 7.0-7.7 QD2 LEU 14 - HB2 TRP 92 far 0 100 0 - 7.6-8.2 QD2 LEU 27 - HB2 HIS 105 far 0 51 0 - 8.3-19.9 QD1 LEU 64 - HB2 TRP 92 far 0 73 0 - 8.8-9.3 QG2 VAL 58 - HB2 TRP 92 far 0 70 0 - 8.8-9.3 QG1 VAL 58 - HB2 TRP 92 far 0 99 0 - 9.0-9.4 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 2.9-3.7 9264/1.8=83...(15) QD1 LEU 3 - HB2 HIS 105 far 0 41 0 - 8.5-17.1 Violated in 0 structures by 0.00 A. Peak 9988 from cnoeabs.peaks (0.40, 3.10, 29.79 ppm; 5.37 A): 2 out of 2 assignments used, quality = 0.75: QD1 LEU 55 + HB2 TRP 92 OK 67 68 100 100 4.1-5.1 2.1/9987=89, ~9264=75...(16) HG2 ARG 81 + HB2 TRP 92 OK 22 82 30 88 4.5-7.7 12215/1.8=41...(10) Violated in 0 structures by 0.00 A. Peak 9990 from cnoeabs.peaks (0.96, 3.19, 29.79 ppm; 5.46 A): 4 out of 5 assignments used, quality = 1.00: HG LEU 55 + HB3 TRP 92 OK 99 99 100 100 3.7-4.6 2.1/9255=94, 2.1/9992=93...(11) HB2 ARG 81 + HB3 TRP 92 OK 82 88 95 97 4.9-5.8 2.9/12215=54...(12) QG2 VAL 83 + HB3 TRP 92 OK 74 99 75 100 5.4-5.9 9782/3.9=74...(9) QG2 VAL 5 + HB3 TRP 92 OK 53 99 60 89 5.1-6.1 8197/9255=64...(7) QG2 THR 80 - HB3 TRP 92 far 0 85 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 9991 from cnoeabs.peaks (0.81, 3.19, 29.79 ppm; 4.27 A): 2 out of 9 assignments used, quality = 1.00: QD2 LEU 57 + HB3 TRP 92 OK 98 99 100 99 2.9-3.4 2.1/9358=74, ~9357=54...(13) QD1 LEU 57 + HB3 TRP 92 OK 89 90 100 100 2.8-3.3 9358=86, 9357/1.8=70...(17) QD1 ILE 93 - HB3 TRP 92 far 3 65 5 - 4.5-5.5 QD2 LEU 103 - HB2 HIS 106 far 0 71 0 - 5.0-13.0 QD1 LEU 27 - HB3 TRP 92 far 0 63 0 - 7.1-7.7 QD2 LEU 103 - HB3 TRP 92 far 0 91 0 - 7.7-17.5 QG2 ILE 7 - HB3 TRP 92 far 0 100 0 - 8.8-9.5 QG2 ILE 52 - HB2 HIS 106 far 0 63 0 - 9.8-21.1 QD1 LEU 27 - HB2 HIS 106 far 0 47 0 - 9.9-21.1 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 1 assignment used, quality = 1.00: QD2 LEU 55 + HB3 TRP 92 OK 100 100 100 100 1.9-2.6 9264=93, 2.1/9255=77...(15) 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 4 assignments used, quality = 1.00: QD1 LEU 55 + HB3 TRP 92 OK 99 99 100 100 2.7-3.7 9255=99, 2.1/9992=79...(18) HG2 ARG 81 + HB3 TRP 92 OK 27 100 30 88 4.0-6.4 12215=40, ~12216=25...(11) QD1 LEU 3 - HB3 TRP 92 far 0 68 0 - 9.3-10.4 QD1 LEU 3 - HB2 HIS 106 far 0 50 0 - 9.5-18.5 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 6 assignments used, quality = 1.00: HB VAL 83 + HD1 TRP 92 OK 99 99 100 100 3.9-4.3 2.1/9796=100...(15) HB3 GLU 88 + HD1 TRP 92 OK 85 85 100 100 2.4-3.1 1.8/12224=94, 12225=86...(16) HG2 GLU 88 + HD1 TRP 92 OK 59 59 100 100 4.4-5.8 1.8/9922=83...(11) QE MET 21 - HD1 TRP 92 far 0 100 0 - 8.0-8.9 HB3 PRO 86 - HD1 TRP 92 far 0 100 0 - 8.8-9.1 HB2 PRO 86 - HD1 TRP 92 far 0 95 0 - 9.0-9.4 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 = 0.99: QG1 VAL 83 + HD1 TRP 92 OK 93 93 100 100 1.9-2.0 9796=90, 9998/2.6=63...(20) QG2 VAL 83 + HD1 TRP 92 OK 81 81 100 100 3.6-4.0 2.1/9796=86, 9782=54...(19) HG LEU 55 - HD1 TRP 92 far 0 82 0 - 6.3-7.2 HB3 LEU 55 - HD1 TRP 92 far 0 65 0 - 8.0-9.2 QG2 THR 80 - HD1 TRP 92 far 0 99 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 9996 from cnoeabs.peaks (0.81, 6.87, 127.01 ppm; 4.82 A): 2 out of 4 assignments used, quality = 1.00: QD1 LEU 57 + HD1 TRP 92 OK 98 98 100 100 2.2-2.7 9342=92, 9808/9796=84...(20) QD2 LEU 57 + HD1 TRP 92 OK 92 93 100 99 4.2-5.0 2.1/9342=84, ~9999=48...(11) QG2 ILE 7 - HD1 TRP 92 far 0 96 0 - 9.1-9.7 QD2 LEU 103 - HD1 TRP 92 far 0 98 0 - 9.3-20.3 Violated in 0 structures by 0.00 A. Peak 9997 from cnoeabs.peaks (0.81, 7.43, 120.39 ppm; 5.22 A): 2 out of 3 assignments used, quality = 1.00: QD1 LEU 57 + HE3 TRP 92 OK 96 96 100 100 4.3-5.1 2.1/9343=77, 9357/4.2=67...(14) QD2 LEU 57 + HE3 TRP 92 OK 95 96 100 100 4.0-5.3 9343=92, 9272/9276=58...(12) QD2 LEU 103 - HE3 TRP 92 far 5 96 5 - 5.3-16.5 Violated in 0 structures by 0.00 A. Peak 10002 from cnoeabs.peaks (0.98, 7.07, 122.39 ppm; 6.50 A): 1 out of 5 assignments used, quality = 0.67: QG1 VAL 83 + HZ3 TRP 92 OK 67 68 100 99 6.4-6.5 9795=63, 9998/5.9=51...(8) HG LEU 55 - HZ3 TRP 92 far 9 90 10 - 6.5-8.6 QG2 VAL 83 - HZ3 TRP 92 far 0 89 0 - 8.2-8.7 QG2 VAL 5 - HZ3 TRP 92 far 0 64 0 - 8.4-9.7 QG2 THR 80 - HZ3 TRP 92 far 0 96 0 - 8.7-10.0 Violated in 12 structures by 0.01 A. Peak 10003 from cnoeabs.peaks (1.70, 7.49, 114.58 ppm; 6.27 A): 1 out of 2 assignments used, quality = 0.87: HD2 ARG 81 + HZ2 TRP 92 OK 87 87 100 100 2.3-4.0 10925=86, 9975/2.8=78...(8) HB3 ARG 91 - HZ2 TRP 92 poor 7 86 25 34 6.4-7.4 7458/8.7=33 Violated in 0 structures by 0.00 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 3.7-4.3 2.4/4127=87, 2.4/4128=85...(12) HE ARG 91 - HA ILE 93 far 0 95 0 - 9.0-11.3 Violated in 0 structures by 0.00 A. Peak 10007 from cnoeabs.peaks (1.32, 3.54, 66.22 ppm; 6.09 A): 3 out of 6 assignments used, quality = 1.00: QB ALA 89 + HA ILE 93 OK 97 97 100 100 5.8-6.1 9932/4163=93...(6) QB ALA 25 + HA ILE 93 OK 97 97 100 100 4.6-5.2 10320/3.2=84...(10) HG2 LYS 94 + HA ILE 93 OK 24 97 25 99 5.5-7.4 7515/3.6=87...(9) HB3 LEU 27 - HA ILE 93 far 14 93 15 - 6.2-7.6 HG2 LYS 90 - HA ILE 93 far 0 61 0 - 7.8-8.1 HG LEU 3 - HA ILE 93 far 0 84 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 10008 from cnoeabs.peaks (0.92, 3.54, 66.22 ppm; 5.11 A): 1 out of 3 assignments used, quality = 0.82: QG2 VAL 5 + HA ILE 93 OK 82 82 100 99 2.9-3.6 8176=76, 10322/3.2=74...(11) HB2 ARG 81 - HA ILE 93 far 0 98 0 - 9.0-9.6 HG13 ILE 7 - HA ILE 93 far 0 82 0 - 9.0-10.8 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 2.3-2.8 9262=84, 10005/3.0=44...(16) QD1 LEU 3 - HA ILE 93 far 0 88 0 - 6.8-7.8 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 2.4-3.2 10013/2.1=96...(18) HG3 MET 21 + HB ILE 93 OK 84 99 85 100 4.7-5.7 1.8/10011=93, ~10012=66...(19) HG3 GLU 17 - HB ILE 93 far 0 61 0 - 9.3-10.5 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 3.2-4.2 10012/2.1=71...(20) HE3 LYS 94 - HB ILE 93 far 0 95 0 - 6.9-8.8 HE2 LYS 94 - HB ILE 93 far 0 99 0 - 7.0-9.1 HE3 LYS 90 - HB ILE 93 far 0 99 0 - 7.3-8.6 HE3 LYS 24 - HB ILE 93 far 0 70 0 - 7.4-11.3 HE2 LYS 24 - HB ILE 93 far 0 70 0 - 7.7-11.5 HE2 LYS 20 - HB ILE 93 far 0 96 0 - 9.0-12.4 HE3 LYS 20 - HB ILE 93 far 0 96 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 10012 from cnoeabs.peaks (2.93, 0.75, 17.00 ppm; 4.76 A increased from 4.48 A): 1 out of 8 assignments used, quality = 0.98: HG2 MET 21 + QG2 ILE 93 OK 98 98 100 100 4.0-4.8 10011/2.1=78...(22) HE3 LYS 94 - QG2 ILE 93 far 0 95 0 - 6.0-8.2 HE3 LYS 24 - QG2 ILE 93 far 0 70 0 - 6.2-9.1 HE2 LYS 94 - QG2 ILE 93 far 0 99 0 - 6.6-8.3 HE2 LYS 24 - QG2 ILE 93 far 0 70 0 - 6.6-9.3 HE3 LYS 90 - QG2 ILE 93 far 0 99 0 - 7.6-8.6 HE2 LYS 20 - QG2 ILE 93 far 0 96 0 - 8.3-10.5 HE3 LYS 20 - QG2 ILE 93 far 0 96 0 - 8.3-10.6 Violated in 1 structures by 0.00 A. Peak 10013 from cnoeabs.peaks (2.39, 0.75, 17.00 ppm; 4.06 A): 1 out of 3 assignments used, quality = 0.99: HB3 MET 21 + QG2 ILE 93 OK 99 99 100 100 2.3-3.0 8555=51, 3.0/10012=48...(24) HG3 MET 21 - QG2 ILE 93 far 0 99 0 - 4.8-5.6 HG3 GLU 17 - QG2 ILE 93 far 0 61 0 - 9.0-9.9 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 3.4-4.1 9262/3.2=76...(16) QD1 LEU 3 - QG2 ILE 93 far 0 68 0 - 5.9-6.5 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 4.4-4.9 9262/3.0=97...(10) 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 2.8-4.0 10021/2.1=89, 9266=80...(14) QD1 LEU 3 - HG12 ILE 93 far 0 88 0 - 8.4-9.2 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 4 assignments used, quality = 1.00: QG2 VAL 5 + HG12 ILE 93 OK 100 100 100 100 2.4-3.3 2.1/10198=92...(9) HG LEU 55 + HG12 ILE 93 OK 32 91 35 100 4.7-6.0 2.1/9266=81, ~10021=64...(10) QG2 VAL 83 - HG12 ILE 93 far 0 92 0 - 7.0-7.5 HB2 ARG 81 - HG12 ILE 93 far 0 99 0 - 9.7-10.8 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 = 0.98: QG2 VAL 5 + HG13 ILE 93 OK 96 96 100 99 3.1-4.6 10322/3.2=81, ~10198=67...(10) HG LEU 55 + HG13 ILE 93 OK 46 71 65 100 4.7-6.0 2.1/10019=76, ~9266=61...(11) QG2 VAL 83 - HG13 ILE 93 far 0 73 0 - 6.1-6.5 HG13 ILE 7 - HG13 ILE 93 far 0 59 0 - 6.6-8.4 HB2 ARG 81 - HG13 ILE 93 far 0 100 0 - 8.4-9.3 Violated in 0 structures by 0.00 A. Peak 10019 from cnoeabs.peaks (0.50, 0.74, 30.82 ppm; 4.88 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 55 + HG13 ILE 93 OK 99 99 100 100 2.6-3.4 10021/2.1=86...(15) QD1 LEU 3 - HG13 ILE 93 far 0 68 0 - 8.7-10.0 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 98 1.8-2.4 8482=72, 2.1/8480=60...(13) HB2 LEU 57 - QD1 ILE 93 far 0 84 0 - 5.3-6.2 QG2 THR 84 - QD1 ILE 93 far 0 91 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 10021 from cnoeabs.peaks (0.49, 0.77, 14.14 ppm; 4.33 A increased from 4.08 A): 1 out of 2 assignments used, quality = 0.95: QD2 LEU 55 + QD1 ILE 93 OK 95 96 100 100 3.8-4.1 9266/2.1=64...(11) QD1 LEU 3 - QD1 ILE 93 far 0 79 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 10022 from cnoeabs.peaks (1.22, 0.74, 30.82 ppm; 5.87 A): 1 out of 3 assignments used, quality = 0.98: QB ALA 18 + HG13 ILE 93 OK 98 98 100 100 3.6-4.4 10020/2.1=99, ~8480=91...(8) HB2 LEU 57 - HG13 ILE 93 far 0 92 0 - 6.2-6.5 HB2 LEU 6 - HG13 ILE 93 far 0 65 0 - 8.9-9.9 Violated in 0 structures by 0.00 A. Peak 10023 from cnoeabs.peaks (1.22, 2.04, 30.82 ppm; 6.14 A): 1 out of 3 assignments used, quality = 0.98: QB ALA 18 + HG12 ILE 93 OK 98 98 100 100 3.6-4.2 10020/2.1=99, ~8480=94...(11) HB2 LEU 57 - HG12 ILE 93 far 0 92 0 - 6.8-7.4 HB2 LEU 6 - HG12 ILE 93 far 0 65 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 10024 from cnoeabs.peaks (2.94, 0.77, 14.14 ppm; 4.77 A): 1 out of 9 assignments used, quality = 1.00: HG2 MET 21 + QD1 ILE 93 OK 100 100 100 100 3.0-3.9 8558=84, 3920/9947=71...(26) HE3 LYS 90 - QD1 ILE 93 far 0 100 0 - 5.7-6.7 HE2 LYS 20 - QD1 ILE 93 far 0 81 0 - 6.5-9.4 HE3 LYS 24 - QD1 ILE 93 far 0 90 0 - 6.7-10.1 HE3 LYS 20 - QD1 ILE 93 far 0 82 0 - 6.9-9.1 HE3 LYS 94 - QD1 ILE 93 far 0 79 0 - 7.4-9.5 HE2 LYS 24 - QD1 ILE 93 far 0 90 0 - 7.4-10.4 HE2 LYS 94 - QD1 ILE 93 far 0 92 0 - 7.6-9.8 HE3 LYS 12 - QD1 ILE 93 far 0 85 0 - 9.8-13.8 Violated in 0 structures by 0.00 A. Peak 10025 from cnoeabs.peaks (3.66, 0.77, 14.14 ppm; 4.09 A): 1 out of 3 assignments used, quality = 0.99: HA LYS 90 + QD1 ILE 93 OK 99 99 100 100 2.0-3.0 9947=96, 10787/9932=60...(19) HA GLU 88 - QD1 ILE 93 far 0 100 0 - 6.6-7.7 HA LEU 14 - QD1 ILE 93 far 0 87 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 10026 from cnoeabs.peaks (3.78, 0.77, 14.14 ppm; 3.56 A): 1 out of 3 assignments used, quality = 1.00: HA ALA 18 + QD1 ILE 93 OK 100 100 100 100 1.9-2.2 8480=99, 2.1/10020=76...(19) HA ARG 19 - QD1 ILE 93 far 0 75 0 - 4.1-4.9 HA SER 97 - QD1 ILE 93 far 0 61 0 - 8.0-8.9 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 4.1-4.4 9947/3.1=82, 4129/2.1=82...(12) HA GLU 88 - QG2 ILE 93 far 0 100 0 - 8.9-9.2 HA LEU 14 - QG2 ILE 93 far 0 77 0 - 9.8-10.3 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 6 assignments used, quality = 1.00: HA ALA 22 + QG2 ILE 93 OK 100 100 100 100 2.0-2.3 8575=66, 2.1/8579=46...(25) HA LYS 94 + QG2 ILE 93 OK 58 61 100 95 3.3-3.6 3.0/7508=57, ~7507=32...(15) HA SER 97 - QG2 ILE 93 far 0 99 0 - 4.9-5.7 HA ARG 19 - QG2 ILE 93 far 0 94 0 - 5.1-5.9 HA2 GLY 100 - QG2 ILE 93 far 0 61 0 - 8.8-10.4 HA2 GLY 101 - QG2 ILE 93 far 0 61 0 - 8.9-12.2 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 4.2-4.3 3.0/7507=97...(13) HA ARG 91 + HB ILE 93 OK 73 87 95 89 5.3-5.8 9956/4129=48...(7) HA ALA 22 + HB ILE 93 OK 63 63 100 100 4.3-4.8 ~10327=64, ~11002=59...(12) HA ALA 89 + HB ILE 93 OK 57 63 90 99 5.5-5.9 ~9932=72, 4.8/4129=67...(7) 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 ALA 25 + QG2 ILE 93 OK 88 88 100 100 4.6-5.4 2.1/10320=99...(11) HA MET 21 + QG2 ILE 93 OK 85 85 100 100 4.2-4.9 3.0/10013=91...(21) HA LEU 2 - QG2 ILE 93 far 0 82 0 - 9.9-11.0 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 3.7-4.4 8169/10322=84...(18) HZ PHE 96 - QG2 ILE 93 far 0 68 0 - 7.2-8.0 HZ3 TRP 92 - QG2 ILE 93 far 0 65 0 - 8.9-9.5 HE ARG 91 - QG2 ILE 93 far 0 73 0 - 9.4-10.7 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 4.6-5.2 8562/3.1=75...(10) H ALA 25 + QG2 ILE 93 OK 95 95 100 100 3.8-4.3 2.9/10320=86...(13) H GLU 98 - QG2 ILE 93 far 0 61 0 - 5.7-6.4 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 4 assignments used, quality = 0.68: HA TRP 92 + HG2 GLU 95 OK 68 77 90 98 1.9-5.3 10037/1.8=70...(5) HA ASN 60 - HG3 GLU 62 far 0 77 0 - 7.3-8.7 HA ASN 60 - HG2 GLU 62 far 0 77 0 - 8.4-8.7 HA THR 34 - HG2 GLU 62 far 0 91 0 - 9.3-11.6 Violated in 3 structures by 0.05 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 1.9-4.9 10036/1.8=90...(7) Violated in 0 structures by 0.00 A. Peak 10040 from cnoeabs.peaks (1.05, 2.52, 36.47 ppm; 5.35 A): 1 out of 3 assignments used, quality = 0.63: HG2 ARG 91 + HG3 GLU 95 OK 63 85 100 74 2.6-5.3 9631/7542=23, ~10460=16...(12) HB3 LEU 55 - HG3 GLU 95 far 0 85 0 - 7.0-11.3 HB3 ARG 81 - HG3 GLU 95 far 0 100 0 - 7.9-11.4 Violated in 0 structures by 0.00 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 - 5.9-8.1 HG13 ILE 93 - HG3 GLU 95 far 0 61 0 - 5.9-8.9 QD1 ILE 93 - HG3 GLU 95 far 0 98 0 - 6.3-8.8 QD2 LEU 57 - HG3 GLU 95 far 0 97 0 - 6.4-9.7 QD1 LEU 27 - HG3 GLU 95 far 0 98 0 - 6.7-9.2 Violated in 17 structures by 1.12 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 - 5.9-8.9 HG3 ARG 81 - HG3 GLU 95 far 0 79 0 - 6.5-12.1 QG1 VAL 5 - HG3 GLU 95 far 0 96 0 - 7.3-10.2 QD2 LEU 27 - HG3 GLU 95 far 0 93 0 - 9.0-11.4 Violated in 20 structures by 2.17 A. Peak 10047 from cnoeabs.peaks (0.75, 3.10, 40.43 ppm; 4.91 A): 4 out of 11 assignments used, quality = 1.00: QG2 ILE 93 + HB2 PHE 96 OK 100 100 100 100 3.5-4.1 3.2/4127=78...(14) QD1 LEU 27 + HB2 PHE 96 OK 95 95 100 100 3.0-4.3 8645/2.4=85...(12) QG1 VAL 5 + HB2 PHE 96 OK 59 85 70 99 4.9-5.4 ~8169=64, 8195/10048=50...(12) HG13 ILE 93 + HB2 PHE 96 OK 48 99 50 96 4.9-5.6 4.0/4127=67...(10) QD2 LEU 27 - HB2 PHE 96 poor 18 90 20 - 5.0-6.3 QD1 ILE 93 - HB2 PHE 96 far 0 94 0 - 5.8-6.2 HG3 ARG 81 - HB2 PHE 96 far 0 98 0 - 7.3-10.6 QG1 VAL 54 - HB2 PHE 96 far 0 99 0 - 7.6-8.5 QG1 VAL 78 - HB2 PHE 96 far 0 100 0 - 9.7-10.6 QD1 LEU 6 - HB2 PHE 96 far 0 93 0 - 9.9-10.7 QG2 VAL 78 - HB2 PHE 96 far 0 77 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 10048 from cnoeabs.peaks (0.48, 3.10, 40.43 ppm; 4.59 A): 1 out of 2 assignments used, quality = 0.81: QD2 LEU 55 + HB2 PHE 96 OK 81 81 100 100 2.3-3.3 10050/1.8=85...(25) QD1 LEU 3 - HB2 PHE 96 far 9 95 10 - 4.7-6.4 Violated in 0 structures by 0.00 A. Peak 10049 from cnoeabs.peaks (0.75, 3.47, 40.43 ppm; 5.40 A increased from 4.80 A): 4 out of 12 assignments used, quality = 1.00: QG2 ILE 93 + HB3 PHE 96 OK 100 100 100 100 4.6-5.5 3.2/4128=86...(13) QD1 LEU 27 + HB3 PHE 96 OK 95 95 100 100 4.4-5.6 8645/2.4=90...(10) QG1 VAL 5 + HB3 PHE 96 OK 77 85 90 100 4.9-6.1 ~8169=74, 8195/10050=66...(11) HG13 ILE 93 + HB3 PHE 96 OK 59 99 60 99 4.9-6.1 4.0/4128=76...(10) HG3 ARG 81 - HB3 PHE 96 far 0 98 0 - 6.0-9.2 QD1 ILE 93 - HB3 PHE 96 far 0 94 0 - 6.1-7.0 QD2 LEU 27 - HB3 PHE 96 far 0 90 0 - 6.4-7.4 QG1 VAL 54 - HB3 PHE 96 far 0 99 0 - 7.5-8.5 QG2 VAL 78 - HB3 PHE 96 far 0 77 0 - 9.2-10.0 QG1 VAL 78 - HB3 PHE 96 far 0 100 0 - 9.3-10.1 QD1 LEU 6 - HB3 PHE 96 far 0 93 0 - 9.9-10.8 QD1 LEU 64 - HB3 PHE 96 far 0 99 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 10050 from cnoeabs.peaks (0.49, 3.47, 40.43 ppm; 4.10 A): 1 out of 2 assignments used, quality = 0.96: QD2 LEU 55 + HB3 PHE 96 OK 96 96 100 100 2.0-2.7 9263=91, 9284/2.4=63...(22) QD1 LEU 3 - HB3 PHE 96 far 0 79 0 - 5.8-7.1 Violated in 0 structures by 0.00 A. Peak 10051 from cnoeabs.peaks (0.43, 3.47, 40.43 ppm; 5.09 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 55 + HB3 PHE 96 OK 100 100 100 100 2.8-3.4 2.1/10050=94, 9256=84...(22) QD1 LEU 3 - HB3 PHE 96 far 0 73 0 - 5.8-7.1 HG2 ARG 81 - HB3 PHE 96 far 0 100 0 - 7.0-8.3 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 3.8-5.2 8169/2.4=100...(14) HG LEU 55 + HB3 PHE 96 OK 96 96 100 100 4.8-5.4 2.1/10050=100...(18) HB2 ARG 81 - HB3 PHE 96 far 0 95 0 - 7.5-8.9 QG2 VAL 83 - HB3 PHE 96 far 0 97 0 - 8.8-9.2 QG2 THR 80 - HB3 PHE 96 far 0 75 0 - 9.4-10.0 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 2.6-3.2 2.1/8171=88, 8170/2.2=87...(19) HG LEU 55 + QD PHE 96 OK 59 59 100 100 4.7-5.3 2.1/9284=100, ~9263=83...(22) HB2 ARG 81 - QD PHE 96 far 0 100 0 - 7.1-8.6 QG2 VAL 83 - QD PHE 96 far 0 61 0 - 9.0-9.3 Violated in 0 structures by 0.00 A. Peak 10054 from cnoeabs.peaks (0.73, 7.03, 131.42 ppm; 5.27 A): 4 out of 16 assignments used, quality = 1.00: QD2 LEU 27 + QD PHE 96 OK 100 100 100 100 3.9-4.3 8647=98, 2.1/8645=96...(19) QG1 VAL 5 + QD PHE 96 OK 100 100 100 100 4.5-5.1 2.1/8169=99, 8171=80...(18) QG2 ILE 93 + QD PHE 96 OK 95 95 100 100 3.7-4.4 10031=82, 10322/8169=75...(18) QD1 LEU 27 + QD PHE 96 OK 68 68 100 100 2.2-2.7 2.1/8647=89...(19) HG3 ARG 81 - QD PHE 96 far 0 100 0 - 5.7-9.2 QG1 VAL 54 - QD PHE 96 far 0 81 0 - 5.9-6.7 HG13 ILE 93 - QD PHE 96 far 0 99 0 - 5.9-6.5 QD1 ILE 93 - QD PHE 96 far 0 65 0 - 6.0-6.8 QG1 VAL 78 - QD PHE 96 far 0 98 0 - 7.3-8.1 QG2 VAL 78 - QD PHE 96 far 0 98 0 - 7.5-8.2 QD1 ILE 52 - QD PHE 96 far 0 59 0 - 7.9-9.2 QD1 LEU 6 - QD PHE 96 far 0 63 0 - 8.1-8.9 QD1 ILE 56 - QD PHE 96 far 0 84 0 - 8.1-8.7 QD2 LEU 42 - QD PHE 96 far 0 71 0 - 8.9-9.7 HG13 ILE 56 - QD PHE 96 far 0 93 0 - 9.0-9.5 QD1 LEU 64 - QD PHE 96 far 0 99 0 - 9.0-9.9 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 2.9-3.3 10050/2.4=99...(27) QD1 LEU 3 + QD PHE 96 OK 88 88 100 100 3.8-4.6 ~8072=90, 3.1/8065=86...(21) Violated in 0 structures by 0.00 A. Peak 10058 from cnoeabs.peaks (0.75, 6.95, 131.21 ppm; 5.70 A): 6 out of 16 assignments used, quality = 1.00: QG1 VAL 54 + QE PHE 96 OK 93 93 100 100 4.7-5.5 3.2/9220=83...(11) QD2 LEU 27 + QE PHE 96 OK 88 88 100 100 3.9-4.6 2.1/8644=98, 8646=90...(14) QD1 LEU 27 + QE PHE 96 OK 87 87 100 100 3.0-4.2 2.1/8646=94, 8645/2.2=89...(18) QG1 VAL 5 + QE PHE 96 OK 84 84 100 100 4.9-5.5 2.1/8170=100, ~8169=83...(16) QG2 ILE 93 + QE PHE 96 OK 68 97 70 100 5.2-6.1 10322/8170=86...(7) QG1 VAL 78 + QE PHE 96 OK 20 97 30 69 5.6-6.5 6898/9218=62, 3.2/10330=19 QG2 VAL 78 - QE PHE 96 far 0 77 0 - 6.0-7.0 QG2 ILE 52 - QE PHE 96 far 0 72 0 - 6.4-7.2 HG3 ARG 81 - QE PHE 96 far 0 95 0 - 6.6-10.3 QD1 LEU 6 - QE PHE 96 far 0 84 0 - 7.1-7.9 QD1 ILE 93 - QE PHE 96 far 0 85 0 - 7.2-8.1 HG13 ILE 93 - QE PHE 96 far 0 97 0 - 7.4-8.1 QD2 LEU 42 - QE PHE 96 far 0 89 0 - 7.4-8.3 HG13 ILE 56 - QE PHE 96 far 0 64 0 - 7.8-8.6 QD1 LEU 64 - QE PHE 96 far 0 96 0 - 8.9-10.0 QG1 VAL 58 - QE PHE 96 far 0 75 0 - 9.7-10.2 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 2.8-3.6 8169/2.2=95, 8170=94...(18) HG LEU 55 + QE PHE 96 OK 66 66 100 100 5.2-5.7 3.7/10669=86, ~9284=83...(15) HB2 ARG 81 - QE PHE 96 far 0 97 0 - 7.5-9.7 QG2 VAL 83 - QE PHE 96 far 0 68 0 - 9.6-10.1 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 1.9-3.0 8093=99, 2.1/8090=53...(15) QD1 LEU 55 - HA SER 97 far 0 84 0 - 7.1-7.9 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 3.0-3.4 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 2.9-3.5 8640=90, 2.1/8641=49...(19) QD1 LEU 27 + HA SER 97 OK 67 68 100 99 2.0-2.7 2.1/8640=65...(18) QG2 ILE 93 - HA SER 97 far 0 95 0 - 4.9-5.7 QG1 VAL 5 - HA SER 97 far 0 100 0 - 7.4-8.2 QD1 ILE 93 - HA SER 97 far 0 65 0 - 8.0-8.9 HG13 ILE 93 - HA SER 97 far 0 99 0 - 8.3-9.3 QG1 VAL 54 - HA SER 97 far 0 81 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 10069 from cnoeabs.peaks (1.34, 3.82, 60.49 ppm; 4.57 A increased from 4.06 A): 1 out of 5 assignments used, quality = 0.99: QB ALA 25 + HA SER 97 OK 99 100 100 99 3.8-4.4 10073/3.0=72...(8) HB3 LEU 27 - HA SER 97 far 0 100 0 - 5.4-6.0 HG3 LYS 94 - HA SER 97 far 0 61 0 - 6.7-8.9 HG2 LYS 94 - HA SER 97 far 0 100 0 - 8.0-9.1 HB3 LEU 2 - HA SER 97 far 0 99 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 10070 from cnoeabs.peaks (1.58, 3.82, 60.49 ppm; 5.09 A increased from 4.07 A): 2 out of 7 assignments used, quality = 0.99: HG LEU 27 + HA SER 97 OK 91 91 100 100 4.2-5.1 2.1/8640=98, 2.1/8641=69...(14) HB2 LEU 3 + HA SER 97 OK 87 87 100 100 3.8-5.2 3.1/10066=89...(12) HD3 LYS 53 - HA SER 97 far 0 85 0 - 6.8-8.3 HG LEU 103 - HA SER 97 far 0 100 0 - 8.6-16.0 HB2 ARG 79 - HA SER 97 far 0 88 0 - 9.2-11.1 HD3 LYS 94 - HA SER 97 far 0 91 0 - 9.3-11.1 HB3 GLU 28 - HA SER 97 far 0 97 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 10071 from cnoeabs.peaks (3.16, 3.82, 60.49 ppm; 5.20 A): 0 out of 1 assignment used, quality = 0.00: HB3 TRP 92 - HA SER 97 far 0 61 0 - 9.0-9.7 Violated in 20 structures by 4.19 A. Peak 10072 from cnoeabs.peaks (1.59, 3.98, 63.02 ppm; 5.25 A): 1 out of 5 assignments used, quality = 1.00: HG LEU 27 + HB3 SER 97 OK 100 100 100 100 3.3-5.1 8622/10073=65, ~8640=63...(16) HD2 LYS 94 - HB3 SER 97 far 0 77 0 - 5.7-9.0 HD3 LYS 94 - HB3 SER 97 far 0 100 0 - 6.9-9.7 HG2 LYS 24 - HB3 SER 97 far 0 99 0 - 8.4-10.7 HG LEU 103 - HB3 SER 97 far 0 98 0 - 9.5-17.8 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 4 assignments used, quality = 0.94: QB ALA 25 + HB3 SER 97 OK 94 98 100 96 2.1-3.1 10130=44, 10130/1.8=38...(13) HB3 LEU 27 - HB3 SER 97 far 0 95 0 - 5.6-7.1 HG2 LYS 94 - HB3 SER 97 far 0 98 0 - 5.7-7.8 HG LEU 3 - HB3 SER 97 far 0 81 0 - 6.9-8.2 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 6 assignments used, quality = 0.82: QD1 LEU 27 + HB3 SER 97 OK 67 68 100 99 2.4-3.4 10064/4356=41...(20) QD2 LEU 27 + HB3 SER 97 OK 45 100 45 99 3.0-4.7 8640/3.0=55, 8643/1.8=42...(18) QG2 ILE 93 - HB3 SER 97 far 0 95 0 - 4.4-5.3 QD1 ILE 93 - HB3 SER 97 far 0 65 0 - 7.6-8.4 QG1 VAL 5 - HB3 SER 97 far 0 100 0 - 8.0-8.9 HG13 ILE 93 - HB3 SER 97 far 0 99 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 10075 from cnoeabs.peaks (0.44, 3.98, 63.02 ppm; 4.91 A): 1 out of 2 assignments used, quality = 0.84: QD1 LEU 3 + HB3 SER 97 OK 84 84 100 100 3.8-4.9 8093/3.0=68, 8092/1.8=66...(13) QD1 LEU 55 - HB3 SER 97 far 0 100 0 - 8.6-9.3 Violated in 0 structures by 0.00 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 5.0-5.9 2.1/10075=97...(11) Violated in 0 structures by 0.00 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 2.8-3.7 8622/10078=66, ~8640=59...(15) HD2 LYS 94 - HB2 SER 97 far 0 81 0 - 6.6-8.9 HD3 LYS 94 - HB2 SER 97 far 0 100 0 - 7.9-9.5 HG2 LYS 24 - HB2 SER 97 far 0 99 0 - 8.5-10.5 HB3 LEU 29 - HB2 SER 97 far 0 100 0 - 9.2-10.2 HB3 GLU 28 - HB2 SER 97 far 0 71 0 - 9.8-10.3 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 5 assignments used, quality = 0.93: QB ALA 25 + HB2 SER 97 OK 93 97 100 96 1.9-2.3 10130=45, 10130/1.8=37...(12) HB3 LEU 27 - HB2 SER 97 far 0 93 0 - 5.0-5.4 HG2 LYS 94 - HB2 SER 97 far 0 97 0 - 6.8-7.6 HG LEU 3 - HB2 SER 97 far 0 84 0 - 6.8-7.6 QB ALA 89 - HB2 SER 97 far 0 97 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 10079 from cnoeabs.peaks (0.73, 3.95, 63.02 ppm; 3.70 A): 3 out of 7 assignments used, quality = 1.00: QD2 LEU 27 + HB2 SER 97 OK 99 100 100 99 3.0-3.7 8640/3.0=55, 8643=50...(17) QD1 LEU 27 + HB2 SER 97 OK 67 68 100 99 1.9-2.0 10064/4350=41...(19) QG2 ILE 93 + HB2 SER 97 OK 58 95 80 77 3.1-4.3 10320/10078=36...(6) QD1 ILE 93 - HB2 SER 97 far 0 65 0 - 6.3-7.6 QG1 VAL 5 - HB2 SER 97 far 0 100 0 - 6.7-7.7 HG13 ILE 93 - HB2 SER 97 far 0 99 0 - 6.7-7.9 QG1 VAL 54 - HB2 SER 97 far 0 81 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 10080 from cnoeabs.peaks (0.44, 3.95, 63.02 ppm; 4.67 A): 1 out of 2 assignments used, quality = 0.84: QD1 LEU 3 + HB2 SER 97 OK 84 84 100 100 3.8-4.6 8092=75, 8093/3.0=64...(10) QD1 LEU 55 - HB2 SER 97 far 0 100 0 - 7.3-8.4 Violated in 0 structures by 0.00 A. Peak 10081 from cnoeabs.peaks (0.26, 3.95, 63.02 ppm; 5.94 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 3 + HB2 SER 97 OK 100 100 100 100 5.0-5.1 2.1/10080=98...(9) Violated in 0 structures by 0.00 A. Peak 10082 from cnoeabs.peaks (7.03, 3.82, 60.49 ppm; 5.49 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 96 + HA SER 97 OK 100 100 100 100 3.0-4.2 7573/3.0=89...(14) HZ PHE 96 - HA SER 97 far 0 68 0 - 6.0-7.2 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 4.8-6.0 4.5/4356=88...(8) Violated in 1 structures by 0.00 A. Peak 10089 from cnoeabs.peaks (0.45, 3.71, 45.30 ppm; 4.76 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 3 + HA3 GLY 100 OK 99 99 100 100 2.0-4.8 8094=98, 12051/1.8=90...(11) QD1 LEU 55 - HA3 GLY 100 far 0 94 0 - 7.0-9.8 Violated in 1 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 1.9-4.6 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: HB2 GLU 99 + HA2 GLY 100 OK 73 73 100 99 4.5-5.5 ~10097=58, 3.0/10098=54...(10) HB3 GLU 99 + HA2 GLY 100 OK 71 84 85 99 4.1-6.1 ~10097=58, 3.0/10098=54...(10) QE MET 1 + HA2 GLY 100 OK 54 68 100 80 3.9-5.1 8025/12051=42...(6) HB3 GLU 99 + HA2 GLY 101 OK 46 63 80 91 4.0-7.6 ~10099=51, ~12267=38...(5) QE MET 1 + HA2 GLY 101 OK 27 49 90 62 2.0-6.7 8101/10094=20...(8) HB3 MET 1 + HA2 GLY 100 OK 26 99 30 86 5.2-7.2 8013/12051=63...(6) HB2 GLU 99 + HA3 GLY 101 OK 25 28 95 91 4.9-6.5 ~10099=51, ~12267=36...(5) HB2 GLU 99 + HA2 GLY 101 OK 24 54 50 91 3.8-6.9 ~10099=51, ~12267=36...(5) HB3 GLU 99 + HA3 GLY 101 OK 23 34 75 91 3.8-7.4 ~10099=51, ~12267=38...(5) QE MET 1 - HA3 GLY 101 poor 16 26 100 64 2.6-5.9 8101/12053=20, 8031=19...(9) HB3 MET 1 - HA2 GLY 101 far 4 80 5 - 5.7-10.7 HB3 GLU 98 - HA2 GLY 101 far 0 54 0 - 6.3-10.6 HB3 MET 1 - HA3 GLY 101 far 0 45 0 - 6.4-9.3 HB3 GLU 98 - HA2 GLY 100 far 0 73 0 - 6.6-8.0 HB2 GLU 98 - HA2 GLY 101 far 0 52 0 - 6.7-10.5 HB2 GLU 98 - HA2 GLY 100 far 0 71 0 - 6.9-8.0 HB2 GLU 98 - HA3 GLY 101 far 0 27 0 - 7.3-10.2 HB3 GLU 98 - HA3 GLY 101 far 0 28 0 - 7.3-10.5 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 7 assignments used, quality = 0.98: QD1 LEU 3 + HA2 GLY 100 OK 98 98 100 100 2.6-4.2 12051=98, 10089/1.8=78...(12) QD1 LEU 3 - HA3 GLY 101 far 4 43 10 - 1.9-6.4 QD1 LEU 3 - HA2 GLY 101 far 4 77 5 - 3.4-6.8 QD1 LEU 55 - HA2 GLY 101 far 0 77 0 - 5.6-10.8 QD1 LEU 55 - HA3 GLY 101 far 0 43 0 - 6.6-9.9 QD1 LEU 55 - HA2 GLY 100 far 0 97 0 - 8.4-10.3 HG2 ARG 81 - HA2 GLY 101 far 0 68 0 - 8.6-17.3 Violated in 0 structures by 0.00 A. Peak 10094 from cnoeabs.peaks (0.26, 3.87, 45.30 ppm; 4.71 A): 3 out of 3 assignments used, quality = 1.00: QD2 LEU 3 + HA2 GLY 100 OK 100 100 100 100 2.7-4.6 2.1/12051=85...(13) QD2 LEU 3 + HA2 GLY 101 OK 71 82 95 91 4.0-5.3 ~10104=39, 10105/3.0=36...(12) QD2 LEU 3 + HA3 GLY 101 OK 43 47 100 92 3.5-4.7 ~10104=39, 10105/3.0=36...(16) Violated in 0 structures by 0.00 A. Peak 10095 from cnoeabs.peaks (7.04, 3.89, 45.04 ppm; 6.48 A increased from 5.46 A): 2 out of 8 assignments used, quality = 0.96: QD PHE 96 + HA3 GLY 101 OK 84 99 100 85 4.4-6.7 2.2/10096=71...(6) HZ PHE 96 + HA3 GLY 101 OK 75 88 95 90 4.7-7.6 2.2/10096=71...(9) QD PHE 96 - HA2 GLY 100 poor 18 45 40 - 5.6-7.8 HZ PHE 96 - HA2 GLY 101 poor 18 52 35 - 4.6-9.1 QD PHE 96 - HA2 GLY 101 poor 16 63 35 73 3.2-8.1 ~10096=58, 2.2/10096=17...(4) HZ PHE 96 - HA2 GLY 100 poor 7 36 20 - 6.3-9.3 HZ3 TRP 92 - HA2 GLY 101 far 0 50 0 - 7.9-13.8 HZ3 TRP 92 - HA3 GLY 101 far 0 87 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 10096 from cnoeabs.peaks (6.97, 3.89, 45.04 ppm; 6.11 A increased from 5.75 A): 2 out of 4 assignments used, quality = 0.89: QE PHE 96 + HA3 GLY 101 OK 86 95 100 91 3.4-6.0 8072/10108=40...(11) QE PHE 96 + HA2 GLY 101 OK 20 58 50 71 2.8-7.5 ~10095=29, 8072/12053=21...(11) QE PHE 96 - HA2 GLY 100 poor 10 41 25 - 5.6-8.1 HD21 ASN 51 - HA2 GLY 101 far 0 65 0 - 9.6-14.7 Violated in 0 structures by 0.00 A. Peak 10097 from cnoeabs.peaks (4.13, 3.71, 45.30 ppm; 5.52 A): 1 out of 3 assignments used, quality = 0.99: HA GLU 99 + HA3 GLY 100 OK 99 100 100 100 4.5-5.4 10098/1.8=79...(11) HA MET 1 - HA3 GLY 100 far 0 81 0 - 6.5-9.0 HA GLU 104 - HA3 GLY 100 far 0 100 0 - 9.4-14.0 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 = 0.77: HA GLU 99 + HA2 GLY 100 OK 77 78 100 98 4.6-5.1 10097/1.8=61, ~7619=47...(11) HA GLU 99 - HA2 GLY 101 far 0 98 0 - 5.8-6.9 HA GLU 99 - HA3 GLY 101 far 0 61 0 - 5.8-7.1 HA GLU 104 - HA3 GLY 101 far 0 59 0 - 5.9-10.9 HA GLU 104 - HA2 GLY 101 far 0 96 0 - 6.4-11.1 HA GLU 104 - HA2 GLY 100 far 0 76 0 - 8.2-13.5 Violated in 1 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 = 0.95: QE MET 1 + HA3 GLY 101 OK 84 99 95 90 2.6-5.9 8026/10108=37, 8031=26...(12) QE MET 1 + HA2 GLY 101 OK 44 62 90 78 2.0-6.7 8031/1.8=29, 8031=22...(12) QE MET 1 + HA2 GLY 100 OK 39 44 100 88 3.9-5.1 8025/10107=60, 8031=32...(8) HB3 MET 1 - HA2 GLY 100 far 6 42 15 - 5.2-7.2 HB3 MET 1 - HA2 GLY 101 far 3 59 5 - 5.7-10.7 HB3 MET 1 - HA3 GLY 101 far 0 96 0 - 6.4-9.3 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 24 assignments used, quality = 0.97: HD3 LYS 53 + HA3 GLY 101 OK 92 100 95 96 2.0-7.8 9214/10096=38...(15) HD3 LYS 53 + HA2 GLY 101 OK 56 65 95 91 2.6-9.0 ~12004=26, ~4026=21...(17) HD3 LYS 53 + HA2 GLY 100 OK 23 47 70 70 4.2-7.8 9194/10107=52...(4) HB3 LEU 103 - HA3 GLY 101 far 13 87 15 - 5.3-9.7 HG2 ARG 79 - HA2 GLY 101 poor 12 61 20 - 4.1-12.7 HB3 LEU 103 - HA2 GLY 101 poor 10 50 20 - 4.1-10.0 HG2 ARG 79 - HA3 GLY 101 far 10 98 10 - 5.5-11.8 HB2 LEU 103 - HA3 GLY 101 far 9 61 15 - 5.1-9.8 HB2 LEU 103 - HA2 GLY 101 poor 8 33 25 - 3.6-8.9 HG LEU 103 - HA2 GLY 101 poor 7 37 20 - 4.2-9.7 HG LEU 103 - HA3 GLY 101 far 7 68 10 - 5.9-10.7 HG3 ARG 79 - HA2 GLY 101 far 6 61 10 - 5.7-14.2 HB2 LEU 3 - HA3 GLY 101 far 5 100 5 - 4.9-9.4 HB2 LEU 3 - HA2 GLY 100 far 5 46 10 - 5.7-7.7 HG LEU 103 - HA2 GLY 100 far 1 26 5 - 5.4-11.6 HB2 LEU 3 - HA2 GLY 101 far 0 64 0 - 6.5-10.0 HB2 LEU 103 - HA2 GLY 100 far 0 23 0 - 6.6-12.0 HG3 ARG 79 - HA3 GLY 101 far 0 98 0 - 6.9-13.2 HB3 LEU 103 - HA2 GLY 100 far 0 36 0 - 7.5-12.1 HG LEU 2 - HA2 GLY 101 far 0 41 0 - 8.4-12.9 HG2 ARG 79 - HA2 GLY 100 far 0 43 0 - 8.6-12.6 HG LEU 2 - HA2 GLY 100 far 0 28 0 - 9.1-10.7 HG LEU 2 - HA3 GLY 101 far 0 73 0 - 9.2-11.7 HG3 ARG 79 - HA2 GLY 100 far 0 44 0 - 9.8-13.1 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 18 assignments used, quality = 1.00: HG3 LYS 53 + HA3 GLY 101 OK 89 100 95 94 3.5-7.1 3.0/10101=34...(14) HD2 LYS 53 + HA3 GLY 101 OK 88 96 95 97 2.0-6.0 1.8/10101=40...(16) HG2 LYS 53 + HA3 GLY 101 OK 87 98 95 93 4.4-8.6 3.0/10101=34...(13) HD2 LYS 53 + HA2 GLY 101 OK 51 58 95 92 2.0-7.3 ~10101=32, 1.8/10101=24...(16) HG3 LYS 53 + HA2 GLY 101 OK 44 64 80 86 4.2-8.6 ~10101=26, 3.0/10101=21...(14) HG2 LYS 53 + HA2 GLY 101 OK 36 61 70 84 4.5-10.0 ~10101=26, 3.0/10101=21...(13) HD2 LYS 53 + HA2 GLY 100 OK 22 42 80 67 3.2-6.3 9195/10107=42...(5) HG3 LYS 53 - HA2 GLY 100 poor 11 46 25 - 4.9-7.2 HG2 LYS 53 - HA2 GLY 100 far 0 44 0 - 5.9-8.7 HB2 LEU 27 - HA3 GLY 101 far 0 94 0 - 8.4-13.3 HG LEU 2 - HA2 GLY 101 far 0 31 0 - 8.4-12.9 HG13 ILE 52 - HA3 GLY 101 far 0 94 0 - 9.0-11.1 HG LEU 2 - HA2 GLY 100 far 0 21 0 - 9.1-10.7 HG LEU 2 - HA3 GLY 101 far 0 57 0 - 9.2-11.7 HG13 ILE 52 - HA2 GLY 100 far 0 40 0 - 9.4-11.3 HG13 ILE 52 - HA2 GLY 101 far 0 57 0 - 9.4-11.5 HB2 LEU 27 - HA2 GLY 101 far 0 57 0 - 9.6-13.6 HB2 LEU 27 - HA2 GLY 100 far 0 40 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 10106 from cnoeabs.peaks (2.01, 3.71, 45.30 ppm; 6.42 A): 4 out of 6 assignments used, quality = 1.00: HB3 GLU 99 + HA3 GLY 100 OK 87 87 100 100 4.5-6.1 3.0/10097=87, ~10098=75...(10) HB2 GLU 99 + HA3 GLY 100 OK 77 77 100 100 4.5-5.7 3.0/10097=87, ~10098=75...(10) HB3 MET 1 + HA3 GLY 100 OK 64 99 70 92 5.0-7.7 8013/8094=69...(5) QE MET 1 + HA3 GLY 100 OK 57 63 100 90 3.3-5.6 8101/10090=66...(5) HB2 GLU 98 - HA3 GLY 100 far 11 75 15 - 6.7-7.6 HB3 GLU 98 - HA3 GLY 100 far 0 77 0 - 7.0-7.8 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 7 assignments used, quality = 0.43: QD1 LEU 3 + HA2 GLY 100 OK 43 43 100 100 2.6-4.2 12051=84, 10089/1.8=80...(12) QD1 LEU 3 - HA3 GLY 101 far 10 98 10 - 1.9-6.4 QD1 LEU 3 - HA2 GLY 101 far 3 61 5 - 3.4-6.8 QD1 LEU 55 - HA2 GLY 101 far 0 60 0 - 5.6-10.8 QD1 LEU 55 - HA3 GLY 101 far 0 97 0 - 6.6-9.9 QD1 LEU 55 - HA2 GLY 100 far 0 43 0 - 8.4-10.3 HG2 ARG 81 - HA2 GLY 101 far 0 53 0 - 8.6-17.3 Violated in 0 structures by 0.00 A. Peak 10108 from cnoeabs.peaks (0.25, 3.89, 45.04 ppm; 4.51 A): 3 out of 3 assignments used, quality = 0.98: QD2 LEU 3 + HA3 GLY 101 OK 94 99 100 95 3.5-4.7 ~10104=35, 10105/3.0=34...(16) QD2 LEU 3 + HA2 GLY 100 OK 46 46 100 100 2.7-4.6 10090/1.8=70...(13) QD2 LEU 3 + HA2 GLY 101 OK 45 64 80 89 4.0-5.3 ~10104=35, 10105/3.0=34...(15) Violated in 0 structures by 0.00 A. Peak 10109 from cnoeabs.peaks (0.45, 3.81, 63.54 ppm; 5.41 A): 0 out of 2 assignments used, quality = 0.00: QD1 LEU 3 - HB3 SER 102 far 5 98 5 - 3.9-10.2 QD1 LEU 55 - HB3 SER 102 far 0 97 0 - 8.5-13.2 Violated in 19 structures by 2.77 A. Peak 10110 from cnoeabs.peaks (0.44, 3.89, 63.54 ppm; 6.00 A): 0 out of 2 assignments used, quality = 0.00: QD1 LEU 3 - HB2 SER 102 far 5 92 5 - 3.7-10.9 QD1 LEU 55 - HB2 SER 102 far 0 100 0 - 8.6-13.1 Violated in 19 structures by 2.70 A. Peak 10114 from cnoeabs.peaks (1.55, 4.38, 58.19 ppm; 5.81 A increased from 5.16 A): 3 out of 8 assignments used, quality = 0.96: HB3 LEU 103 + HA SER 102 OK 76 77 100 99 4.5-5.8 4.0/7645=95, ~10115=46...(5) HB2 LEU 103 + HA SER 102 OK 65 73 90 99 3.9-6.2 4.0/7645=95, ~10115=46...(6) HG LEU 103 + HA SER 102 OK 55 79 75 92 3.3-7.4 5.3/7645=80, ~10125=29...(5) HD3 LYS 53 - HA SER 102 far 15 100 15 - 6.0-9.4 HB2 LEU 3 - HA SER 102 far 0 100 0 - 6.8-13.1 HG2 ARG 79 - HA SER 102 far 0 93 0 - 7.4-14.8 HG LEU 2 - HA SER 102 far 0 61 0 - 7.4-15.7 HG3 ARG 79 - HA SER 102 far 0 94 0 - 8.6-16.0 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 = 0.93: HB3 SER 102 + HA LEU 103 OK 93 98 100 95 4.8-5.7 ~7645=66, ~4455=64...(4) Violated in 3 structures by 0.00 A. Peak 10118 from cnoeabs.peaks (0.89, 0.75, 29.43 ppm; 4.79 A increased from 4.51 A): 1 out of 3 assignments used, quality = 1.00: HG13 ILE 7 + HG13 ILE 15 OK 100 100 100 100 3.4-4.5 2.1/8470=78...(15) HG13 ILE 8 - HG13 ILE 15 far 0 100 0 - 7.6-9.0 QG1 VAL 32 - HG13 ILE 15 far 0 92 0 - 8.1-9.4 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 4 assignments used, quality = 1.00: HD3 ARG 19 + QG2 ILE 15 OK 99 100 100 99 1.9-4.2 3.6/8516=54, 3.6/8514=49...(14) HD2 ARG 19 + QG2 ILE 15 OK 99 100 100 99 1.9-4.0 3.6/8516=54, 3.6/8514=49...(12) HD2 ARG 19 - QG2 ILE 8 far 0 69 0 - 9.8-11.9 HD3 ARG 19 - QG2 ILE 8 far 0 69 0 - 9.9-12.0 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 3.5-4.1 8381/680=84, 644/2.1=82...(12) HA GLU 35 - QG2 ILE 8 far 0 37 0 - 5.6-6.6 HA LEU 38 - QG2 ILE 8 far 0 55 0 - 6.1-7.2 HA ALA 67 - QG2 ILE 8 far 0 70 0 - 6.3-6.9 HA ALA 22 - QG2 ILE 15 far 0 88 0 - 8.8-9.6 HA LYS 12 - QG2 ILE 8 far 0 70 0 - 9.2-9.7 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 3.1-3.7 8530=93, 3.0/660=69...(24) HB3 SER 59 - QG2 ILE 8 far 10 69 15 - 4.2-6.2 HA GLU 17 - QG2 ILE 15 far 0 90 0 - 6.6-6.8 HA LYS 20 - QG2 ILE 15 far 0 91 0 - 7.4-7.9 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 = 0.94: QG2 THR 31 + QG2 ILE 15 OK 94 100 100 94 1.8-2.2 8467/680=42, 8730=40...(15) QG2 THR 34 - QG2 ILE 8 far 0 35 0 - 5.4-6.2 QG2 THR 31 - QG2 ILE 8 far 0 70 0 - 5.5-6.4 HB2 LEU 29 - QG2 ILE 15 far 0 87 0 - 6.9-7.6 HG3 LYS 82 - QG2 ILE 8 far 0 70 0 - 7.5-9.0 QG2 THR 34 - QG2 ILE 15 far 0 59 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 10124 from cnoeabs.peaks (3.88, 0.88, 24.80 ppm; 6.18 A increased from 5.21 A): 2 out of 14 assignments used, quality = 0.83: HB3 SER 49 + QD1 LEU 2 OK 66 91 75 97 6.1-6.9 10622/9034=60...(9) HB2 SER 102 + QD1 LEU 103 OK 49 58 100 85 4.9-6.2 7646/4.7=53...(4) HA2 GLY 101 - QD1 LEU 103 poor 12 61 45 43 3.8-9.2 11029/4.7=20...(4) HA3 GLY 101 - QD1 LEU 103 poor 10 59 35 51 4.7-9.0 11029/4.7=32...(3) HA2 GLY 100 - QD1 LEU 103 far 6 61 10 - 3.2-9.3 HB2 SER 102 - QD1 LEU 2 far 5 96 5 - 6.5-14.6 HA LYS 94 - QD1 LEU 103 far 0 61 0 - 7.7-18.1 HA2 GLY 101 - QD1 LEU 2 far 0 98 0 - 7.7-11.5 HA3 GLY 101 - QD1 LEU 2 far 0 96 0 - 7.7-10.7 HA ARG 91 - QD1 LEU 103 far 0 62 0 - 7.9-21.0 HA2 GLY 100 - QD1 LEU 2 far 0 98 0 - 8.4-10.2 HA ALA 89 - QD1 LEU 103 far 0 51 0 - 8.7-22.3 HB3 SER 49 - QD1 LEU 103 far 0 53 0 - 8.9-19.1 HA GLU 43 - QD1 LEU 2 far 0 100 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 10125 from cnoeabs.peaks (3.88, 0.81, 23.49 ppm; 6.34 A): 1 out of 11 assignments used, quality = 0.44: HB2 SER 102 + QD2 LEU 103 OK 44 54 100 82 3.9-6.3 7646/4.7=56...(4) HA3 GLY 101 - QD2 LEU 103 poor 15 55 60 45 4.5-7.6 11029/4.7=35...(3) HA2 GLY 101 - QD2 LEU 103 poor 13 50 75 35 3.8-7.5 11029/4.7=22...(4) HA2 GLY 100 - QD2 LEU 103 lone 1 50 40 3 4.9-10.3 HB2 SER 102 - QD2 LEU 2 far 0 99 0 - 7.0-16.0 HB3 SER 49 - QD2 LEU 2 far 0 84 0 - 7.2-9.3 HA2 GLY 101 - QD2 LEU 2 far 0 95 0 - 8.5-12.3 HA2 GLY 100 - QD2 LEU 2 far 0 95 0 - 8.6-10.8 HA ARG 91 - QD2 LEU 103 far 0 57 0 - 9.0-19.7 HA LYS 94 - QD2 LEU 103 far 0 50 0 - 9.2-17.6 HA3 GLY 101 - QD2 LEU 2 far 0 99 0 - 9.2-11.2 Violated in 1 structures by 0.00 A. Peak 10127 from cnoeabs.peaks (6.98, 0.88, 24.80 ppm; 6.28 A): 1 out of 5 assignments used, quality = 1.00: HD21 ASN 51 + QD1 LEU 2 OK 100 100 100 100 2.8-6.1 9120=94, 1.7/9126=93...(16) QE PHE 96 - QD1 LEU 103 far 5 54 10 - 5.2-12.7 HE ARG 91 - QD1 LEU 103 far 0 55 0 - 6.7-20.7 HD21 ASN 51 - QD1 LEU 103 far 0 65 0 - 6.9-16.1 QE PHE 96 - QD1 LEU 2 far 0 92 0 - 7.5-8.2 Violated in 0 structures by 0.00 A. Peak 10128 from cnoeabs.peaks (6.96, 0.81, 23.49 ppm; 6.20 A increased from 5.51 A): 1 out of 5 assignments used, quality = 0.97: HD21 ASN 51 + QD2 LEU 2 OK 97 97 100 100 4.7-6.0 1.7/9127=93, 9120/2.1=90...(16) HE ARG 91 - QD2 LEU 103 far 0 34 0 - 6.8-19.4 HD21 ASN 51 - QD2 LEU 103 far 0 52 0 - 7.2-17.0 QE PHE 96 - QD2 LEU 103 far 0 56 0 - 7.3-11.4 QE PHE 96 - QD2 LEU 2 far 0 100 0 - 8.0-8.9 Violated in 0 structures by 0.00 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 1.9-2.3 10078=75, 1.8/10073=64...(12) HB3 SER 97 + QB ALA 25 OK 92 94 100 98 2.1-3.1 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 3.6-4.9 10073/2.1=96, ~10078=84...(8) HB2 SER 97 + HA ALA 25 OK 89 90 100 100 4.0-4.7 10078/2.1=85, ~10073=84...(8) 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 9 assignments used, quality = 0.99: HB2 LEU 3 + QD2 LEU 27 OK 99 100 100 100 1.9-2.7 8108=64, 1.8/10133=60...(20) HB3 GLU 28 - QD2 LEU 27 far 0 100 0 - 4.9-5.6 HD3 LYS 53 - QD2 LEU 27 far 0 100 0 - 6.8-8.2 HB3 LEU 29 - QD2 LEU 27 far 0 61 0 - 7.3-7.7 HG2 LYS 24 - QD2 LEU 27 far 0 81 0 - 8.2-10.2 HG LEU 6 - QD2 LEU 27 far 0 71 0 - 9.3-10.1 HG3 ARG 30 - QD2 LEU 27 far 0 81 0 - 9.3-10.9 HG LEU 103 - QD2 LEU 27 far 0 87 0 - 9.4-15.2 HB3 LEU 103 - QD2 LEU 27 far 0 68 0 - 9.8-15.9 Violated in 0 structures by 0.00 A. Peak 10133 from cnoeabs.peaks (1.14, 0.73, 25.25 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: HB3 LEU 3 + QD2 LEU 27 OK 100 100 100 100 2.4-2.9 1.8/10132=83...(18) HB2 LEU 29 - QD2 LEU 27 far 0 96 0 - 6.4-6.7 Violated in 0 structures by 0.00 A. Peak 10134 from cnoeabs.peaks (1.15, 0.77, 26.59 ppm; 4.25 A): 1 out of 4 assignments used, quality = 1.00: HB3 LEU 3 + QD1 LEU 27 OK 100 100 100 100 2.6-3.3 10133/2.1=85, ~10132=65...(18) HB2 LEU 29 - QD1 LEU 27 far 0 99 0 - 5.0-5.4 HB2 LEU 6 - QD1 LEU 27 far 0 75 0 - 9.0-9.4 QG2 THR 31 - QD1 LEU 27 far 0 99 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 10135 from cnoeabs.peaks (0.26, 0.77, 26.59 ppm; 5.06 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 3 + QD1 LEU 27 OK 100 100 100 100 3.3-3.8 10136/2.1=96...(18) 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 3.2-3.8 3.1/10132=68...(18) 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 2 assignments used, quality = 1.00: QD1 LEU 3 + QD1 LEU 27 OK 100 100 100 100 2.7-3.4 3.1/10134=64...(21) QD1 LEU 55 - QD1 LEU 27 far 0 77 0 - 5.8-6.3 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 8 assignments used, quality = 1.00: HB2 PHE 96 + QD1 LEU 27 OK 100 100 100 100 3.0-4.3 2.4/8645=99...(12) HB3 ASN 26 + QD1 LEU 27 OK 27 79 35 98 5.2-6.7 10139/2.1=78...(7) HD3 ARG 79 - QD1 LEU 27 far 0 90 0 - 7.1-10.2 HB2 TRP 92 - QD1 LEU 27 far 0 100 0 - 7.6-8.2 HD2 ARG 79 - QD1 LEU 27 far 0 87 0 - 8.2-10.7 HB3 HIS 105 - QD1 LEU 27 far 0 75 0 - 8.9-20.3 HD3 ARG 30 - QD1 LEU 27 far 0 98 0 - 9.5-11.8 HB2 HIS 105 - QD1 LEU 27 far 0 79 0 - 9.7-20.0 Violated in 0 structures by 0.00 A. Peak 10139 from cnoeabs.peaks (3.08, 0.73, 25.25 ppm; 5.09 A): 1 out of 7 assignments used, quality = 0.97: HB3 ASN 26 + QD2 LEU 27 OK 97 99 100 98 3.2-4.8 8631=78, 6436/1212=61...(8) HB2 PHE 96 - QD2 LEU 27 poor 18 91 20 - 5.0-6.3 HB3 HIS 105 - QD2 LEU 27 far 0 98 0 - 7.5-20.1 HB3 HIS 106 - QD2 LEU 27 far 0 87 0 - 7.8-21.0 HD3 ARG 79 - QD2 LEU 27 far 0 100 0 - 8.5-11.3 HD2 ARG 79 - QD2 LEU 27 far 0 100 0 - 9.3-12.0 HD3 ARG 30 - QD2 LEU 27 far 0 100 0 - 9.3-12.3 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 3.8-4.4 7565/10064=83...(12) 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 = 0.81: HB ILE 7 + QD1 LEU 29 OK 75 85 100 87 2.8-3.4 ~10501=38, 8276/8672=37...(9) HG2 ARG 19 + QD1 LEU 29 OK 24 61 40 100 3.5-4.7 1.8/10499=55, ~8673=51...(19) HG LEU 6 - QD1 LEU 29 far 0 90 0 - 6.2-6.7 HG3 ARG 30 - QD1 LEU 29 far 0 95 0 - 6.3-7.7 HG3 LYS 90 - QD1 LEU 29 far 0 63 0 - 6.9-7.3 HB3 GLU 28 - QD1 LEU 29 far 0 96 0 - 7.6-7.9 HG3 LYS 24 - QD1 LEU 29 far 0 59 0 - 7.8-9.7 HG2 LYS 24 - QD1 LEU 29 far 0 59 0 - 8.4-9.9 HB2 LEU 3 - QD1 LEU 29 far 0 100 0 - 8.4-9.1 HG12 ILE 56 - QD1 LEU 29 far 0 96 0 - 8.6-9.3 HB2 LEU 14 - QD1 LEU 29 far 0 85 0 - 8.9-9.6 HG3 ARG 79 - QD1 LEU 29 far 0 98 0 - 9.4-12.8 HG2 ARG 79 - QD1 LEU 29 far 0 98 0 - 9.9-12.1 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 3.7-4.4 8455=99, 3.2/10123=98...(12) 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 90 96 100 94 2.2-4.4 8522/8731=47, 8524=47...(6) HD3 ARG 19 + QG2 THR 31 OK 89 96 100 93 2.4-4.8 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): 1 out of 4 assignments used, quality = 0.93: HB3 GLU 37 + HA VAL 32 OK 93 93 100 100 2.7-3.3 1.8/8823=64, 8839/3.2=57...(20) HG3 GLU 37 - HA VAL 32 far 10 100 10 - 3.2-5.0 HB3 LEU 38 - HA VAL 32 far 0 70 0 - 5.4-7.1 HB3 GLU 35 - HA VAL 32 far 0 84 0 - 9.1-9.4 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 5 assignments used, quality = 1.00: HG3 LYS 33 + HA VAL 32 OK 100 100 100 100 3.6-3.9 8595=98, 6523/6515=80...(6) HD3 LYS 40 - HA VAL 32 far 0 59 0 - 6.5-8.7 HG3 ARG 30 - HA VAL 32 far 0 84 0 - 7.2-8.5 HG LEU 6 - HA VAL 32 far 0 91 0 - 7.5-7.7 HB ILE 7 - HA VAL 32 far 0 94 0 - 8.2-8.5 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 3.6-3.9 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 = 1.00: QD TYR 41 + HA VAL 32 OK 99 99 100 100 4.1-4.4 2.2/8896=59...(21) QE TYR 41 + HA VAL 32 OK 95 95 100 100 2.3-2.4 8896=66, 8910/3.2=64...(18) 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 1.9-2.0 2.2/8910=51...(29) QE TYR 41 + QG2 VAL 32 OK 88 91 100 97 1.9-2.2 8910=56, 8909/2.1=28...(24) HD21 ASN 60 - QG2 VAL 32 far 0 61 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 10153 from cnoeabs.peaks (7.80, 1.94, 34.49 ppm; 5.66 A): 1 out of 6 assignments used, quality = 0.99: H SER 9 + HB VAL 32 OK 99 99 100 100 5.2-5.6 6102/12055=92...(7) H SER 9 - HB3 LYS 33 far 0 64 0 - 6.1-6.5 HE ARG 30 - HB VAL 32 far 0 98 0 - 7.1-11.2 H SER 9 - HB2 LYS 33 far 0 68 0 - 7.2-7.6 H TYR 41 - HB VAL 32 far 0 91 0 - 7.5-7.7 HE ARG 30 - HB2 LYS 33 far 0 66 0 - 9.5-14.9 Violated in 0 structures by 0.00 A. Peak 10154 from cnoeabs.peaks (5.47, 0.83, 22.02 ppm; 4.44 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 6 + QG2 VAL 32 OK 99 100 100 99 3.7-4.0 3.0/10160=73...(8) Violated in 0 structures by 0.00 A. Peak 10155 from cnoeabs.peaks (2.10, 0.83, 22.02 ppm; 4.20 A): 2 out of 8 assignments used, quality = 0.97: HB3 LEU 38 + QG2 VAL 32 OK 86 87 100 99 3.1-4.3 3.0/10162=70...(13) HB3 GLU 37 + QG2 VAL 32 OK 79 79 100 100 2.6-3.4 10144/3.2=56, ~8836=56...(22) HG3 GLU 37 - QG2 VAL 32 far 10 98 10 - 4.3-5.4 HB3 GLU 35 - QG2 VAL 32 far 0 96 0 - 7.3-7.8 HB3 GLU 43 - QG2 VAL 32 far 0 73 0 - 8.6-9.2 HG2 GLU 44 - QG2 VAL 32 far 0 61 0 - 9.4-9.9 HG3 GLU 28 - QG2 VAL 32 far 0 71 0 - 9.5-11.6 HG2 GLU 28 - QG2 VAL 32 far 0 71 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 10156 from cnoeabs.peaks (2.09, 0.91, 23.40 ppm; 3.31 A): 2 out of 8 assignments used, quality = 0.97: HB3 LEU 38 + QG1 VAL 32 OK 89 92 100 97 1.9-3.6 6587/8932=46...(16) HB3 GLU 37 + QG1 VAL 32 OK 71 71 100 100 2.5-3.3 1.8/8836=57, 3.0/8849=37...(22) HG3 GLU 37 - QG1 VAL 32 far 9 95 10 - 3.5-4.2 HB3 GLU 35 - QG1 VAL 32 far 0 98 0 - 5.3-5.6 HB2 GLU 69 - QG1 VAL 32 far 0 70 0 - 9.4-10.3 HB3 GLU 43 - QG1 VAL 32 far 0 81 0 - 9.5-10.1 HB3 GLU 62 - QG1 VAL 32 far 0 100 0 - 9.9-10.9 HB2 LEU 64 - QG1 VAL 32 far 0 92 0 - 10.0-10.7 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 3 assignments used, quality = 1.00: HG2 GLU 37 + QG1 VAL 32 OK 100 100 100 100 3.0-4.5 1.8/8849=84, 3.0/8836=75...(22) HG2 GLU 63 - QG1 VAL 32 far 0 68 0 - 5.9-6.8 HG2 GLU 62 - QG1 VAL 32 far 0 100 0 - 9.3-11.3 Violated in 2 structures by 0.00 A. Peak 10158 from cnoeabs.peaks (2.09, 1.94, 34.49 ppm; 4.57 A increased from 4.06 A): 2 out of 12 assignments used, quality = 0.91: HB3 LEU 38 + HB VAL 32 OK 86 96 90 99 4.2-5.9 10156/2.1=53...(14) HG3 GLU 37 + HB2 LYS 33 OK 38 57 90 75 3.9-5.2 8814/6532=45...(3) HB3 GLU 37 - HB VAL 32 far 6 61 10 - 4.6-5.5 HG3 GLU 37 - HB3 LYS 33 far 0 53 0 - 5.5-6.9 HB3 GLU 37 - HB2 LYS 33 far 0 36 0 - 5.5-5.9 HG3 GLU 37 - HB VAL 32 far 0 90 0 - 5.9-7.2 HB3 GLU 37 - HB3 LYS 33 far 0 33 0 - 6.9-7.3 HB3 LEU 38 - HB2 LYS 33 far 0 64 0 - 7.6-9.6 HB3 GLU 35 - HB VAL 32 far 0 100 0 - 8.2-8.7 HB3 LEU 38 - HB3 LYS 33 far 0 60 0 - 8.6-10.5 HB3 GLU 35 - HB2 LYS 33 far 0 69 0 - 8.9-9.2 HB3 GLU 35 - HB3 LYS 33 far 0 64 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 10159 from cnoeabs.peaks (1.52, 0.83, 22.02 ppm; 4.24 A increased from 3.77 A): 1 out of 10 assignments used, quality = 0.98: HG LEU 6 + QG2 VAL 32 OK 98 100 100 98 4.1-4.2 3.0/10160=68...(7) HG3 ARG 30 - QG2 VAL 32 far 0 98 0 - 5.3-6.3 HG3 LYS 33 - QG2 VAL 32 far 0 97 0 - 5.3-5.5 HG2 LYS 33 - QG2 VAL 32 far 0 77 0 - 5.6-5.7 HG12 ILE 56 - QG2 VAL 32 far 0 98 0 - 6.2-6.5 HB ILE 7 - QG2 VAL 32 far 0 100 0 - 6.2-6.5 HG LEU 57 - QG2 VAL 32 far 0 95 0 - 8.9-9.1 HG3 LYS 66 - QG2 VAL 32 far 0 85 0 - 9.5-10.2 HB3 LEU 64 - QG2 VAL 32 far 0 81 0 - 9.8-10.6 HG3 ARG 79 - QG2 VAL 32 far 0 95 0 - 10.0-13.1 Violated in 0 structures by 0.00 A. Peak 10160 from cnoeabs.peaks (1.66, 0.83, 22.02 ppm; 3.86 A): 1 out of 7 assignments used, quality = 0.97: HB3 LEU 6 + QG2 VAL 32 OK 97 99 100 98 2.2-2.5 1.8/10337=68...(9) HB2 LYS 40 - QG2 VAL 32 far 0 98 0 - 5.2-5.9 HB3 LYS 40 - QG2 VAL 32 far 0 85 0 - 6.6-7.2 HG12 ILE 15 - QG2 VAL 32 far 0 68 0 - 7.4-8.9 HD2 LYS 39 - QG2 VAL 32 far 0 100 0 - 8.7-9.1 HD3 LYS 39 - QG2 VAL 32 far 0 95 0 - 9.7-9.9 HB ILE 76 - QG2 VAL 32 far 0 97 0 - 9.9-10.2 Violated in 0 structures by 0.00 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 3.4-3.8 1890/10162=80...(11) HB VAL 58 - QG2 VAL 32 far 0 68 0 - 7.6-8.4 HG3 MET 74 - QG2 VAL 32 far 0 99 0 - 9.4-11.7 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 2.0-2.1 8934/2.1=50, 1620=37...(12) HA GLU 35 - QG2 VAL 32 far 0 98 0 - 5.4-5.7 HA ALA 67 - QG2 VAL 32 far 0 91 0 - 6.1-6.8 HA LYS 40 - QG2 VAL 32 far 0 99 0 - 7.1-7.3 HA GLU 63 - QG2 VAL 32 far 0 59 0 - 7.8-8.4 HA ALA 71 - QG2 VAL 32 far 0 79 0 - 8.8-9.3 HA GLU 43 - QG2 VAL 32 far 0 99 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 10163 from cnoeabs.peaks (4.60, 0.83, 22.02 ppm; 4.84 A increased from 4.56 A): 1 out of 2 assignments used, quality = 0.98: HA ILE 8 + QG2 VAL 32 OK 98 99 100 99 4.6-4.8 12055/2.1=84...(6) HB THR 34 - QG2 VAL 32 far 0 100 0 - 7.4-7.6 Violated in 0 structures by 0.00 A. Peak 10165 from cnoeabs.peaks (4.89, 0.83, 22.02 ppm; 4.25 A): 1 out of 3 assignments used, quality = 0.90: HA THR 31 + QG2 VAL 32 OK 90 100 100 90 3.5-3.7 6505/1407=76, ~8728=26...(5) HA ILE 56 - QG2 VAL 32 far 0 100 0 - 5.2-5.5 HA ARG 30 - QG2 VAL 32 far 0 87 0 - 5.4-5.6 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 4 assignments used, quality = 1.00: HB3 TYR 41 + QG1 VAL 32 OK 100 100 100 100 5.0-5.4 2.5/14619=93...(12) HB VAL 58 - QG1 VAL 32 far 0 59 0 - 6.8-7.6 HD2 ARG 30 - QG1 VAL 32 far 0 65 0 - 7.3-9.0 HG3 MET 74 - QG1 VAL 32 far 0 97 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 10167 from cnoeabs.peaks (0.82, 3.89, 59.23 ppm; 3.59 A): 1 out of 23 assignments used, quality = 0.93: QD1 LEU 70 + HA GLU 35 OK 93 99 100 93 2.9-3.6 10420/3.0=45...(12) QD1 ILE 76 - HA GLU 43 poor 16 82 20 - 3.7-4.3 QD2 LEU 70 - HA GLU 35 far 0 95 0 - 4.3-5.4 QD2 LEU 38 - HA GLU 35 far 0 100 0 - 4.4-4.9 QD1 LEU 38 - HA GLU 35 far 0 65 0 - 4.6-5.3 QG2 VAL 32 - HA GLU 35 far 0 100 0 - 5.4-5.7 QG2 ILE 8 - HA GLU 35 far 0 61 0 - 5.6-6.6 QD1 LEU 38 - HA LYS 40 far 0 33 0 - 6.5-6.7 QD2 LEU 70 - HA LYS 40 far 0 54 0 - 6.8-7.7 QD1 ILE 76 - HA LYS 40 far 0 47 0 - 7.0-7.3 QG2 VAL 32 - HA LYS 40 far 0 60 0 - 7.1-7.3 QD1 LEU 57 - HA ARG 91 far 0 99 0 - 7.2-7.6 QD1 LEU 70 - HA LYS 40 far 0 59 0 - 7.3-8.2 QD1 LEU 38 - HA GLU 43 far 0 61 0 - 7.5-7.8 QD2 LEU 38 - HA LYS 40 far 0 61 0 - 7.5-7.8 QD2 LEU 70 - HA GLU 43 far 0 91 0 - 8.3-9.2 QD2 LEU 57 - HA ARG 91 far 0 77 0 - 8.4-8.9 QD1 LEU 70 - HA GLU 43 far 0 96 0 - 8.9-9.8 QD2 LEU 103 - HA ARG 91 far 0 100 0 - 9.0-19.7 QD2 LEU 38 - HA GLU 43 far 0 98 0 - 9.4-9.7 QD1 ILE 76 - HA GLU 35 far 0 87 0 - 9.4-10.2 QG2 VAL 32 - HA GLU 43 far 0 97 0 - 9.7-9.9 QG2 ILE 7 - HA GLU 35 far 0 84 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 10168 from cnoeabs.peaks (0.87, 3.89, 59.23 ppm; 3.88 A): 1 out of 10 assignments used, quality = 0.47: QG1 VAL 32 + HA GLU 35 OK 47 65 100 72 3.5-3.8 8932/12057=39...(7) QD1 LEU 38 - HA GLU 35 far 0 99 0 - 4.6-5.3 QG2 ILE 76 - HA GLU 43 far 0 95 0 - 5.6-6.5 HG13 ILE 8 - HA GLU 35 far 0 96 0 - 6.0-8.5 QD1 LEU 38 - HA LYS 40 far 0 58 0 - 6.5-6.7 QG1 VAL 32 - HA LYS 40 far 0 33 0 - 7.5-7.7 QD1 LEU 38 - HA GLU 43 far 0 95 0 - 7.5-7.8 QD1 LEU 103 - HA ARG 91 far 0 99 0 - 7.9-21.0 QG2 ILE 76 - HA LYS 40 far 0 58 0 - 9.1-9.5 QD1 LEU 2 - HA GLU 43 far 0 95 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 10169 from cnoeabs.peaks (8.35, 6.43, 132.25 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.99: H TYR 4 + QD TYR 4 OK 99 99 100 100 2.7-3.2 4.5=100 Violated in 0 structures by 0.00 A. Peak 10170 from cnoeabs.peaks (3.87, 3.31, 43.64 ppm; 5.34 A increased from 4.49 A): 1 out of 4 assignments used, quality = 0.99: HA GLU 43 + HD2 ARG 46 OK 99 99 100 100 3.9-5.1 12084=100, 10171/1.8=97...(9) HB3 SER 49 - HD2 ARG 46 poor 19 95 20 - 4.9-6.8 HA ALA 71 - HD2 ARG 46 poor 16 81 20 - 5.5-6.7 HA LYS 40 - HD2 ARG 46 far 0 99 0 - 8.8-10.0 Violated in 0 structures by 0.00 A. Peak 10171 from cnoeabs.peaks (3.87, 3.19, 43.64 ppm; 4.34 A): 1 out of 4 assignments used, quality = 0.98: HA GLU 43 + HD3 ARG 46 OK 98 99 100 99 3.0-4.4 12085=69, 12084/1.8=56...(10) HA ALA 71 - HD3 ARG 46 far 0 81 0 - 5.4-8.0 HB3 SER 49 - HD3 ARG 46 far 0 95 0 - 5.9-7.2 HA LYS 40 - HD3 ARG 46 far 0 99 0 - 7.6-9.4 Violated in 1 structures by 0.00 A. Peak 10172 from cnoeabs.peaks (3.88, 1.82, 26.76 ppm; 4.76 A increased from 4.48 A): 2 out of 4 assignments used, quality = 0.91: HB3 SER 49 + HG2 ARG 46 OK 82 90 100 91 3.7-4.8 10174/4.1=67...(8) HA GLU 43 + HG2 ARG 46 OK 49 100 50 99 4.6-5.5 10171/3.0=73...(8) HA ALA 71 - HG2 ARG 46 far 0 71 0 - 6.0-9.2 HA LYS 40 - HG2 ARG 46 far 0 97 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 10173 from cnoeabs.peaks (3.86, 1.79, 26.76 ppm; 4.37 A): 2 out of 4 assignments used, quality = 0.69: HB3 SER 49 + HG3 ARG 46 OK 54 99 60 90 2.9-6.2 10174/4.1=54...(9) HA GLU 43 + HG3 ARG 46 OK 32 94 35 97 3.0-5.8 10171/3.0=62...(9) HA ALA 71 - HG3 ARG 46 far 0 93 0 - 5.7-8.6 HA LYS 40 - HG3 ARG 46 far 0 100 0 - 7.8-11.2 Violated in 1 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 = 0.78: HB3 SER 49 + HA ARG 46 OK 78 90 100 87 2.6-3.8 10622/10188=25...(11) HA ALA 67 - HA LYS 66 far 0 68 0 - 4.8-4.8 HA GLU 43 - HA ARG 46 far 0 100 0 - 5.3-5.6 HA GLU 63 - HA LYS 66 far 0 52 0 - 5.7-6.1 HA GLU 35 - HA LYS 66 far 0 85 0 - 6.8-7.8 HA ALA 71 - HA ARG 46 far 0 71 0 - 7.5-8.6 HA LYS 94 - HA LYS 24 far 0 60 0 - 8.1-9.0 HA ALA 71 - HA LYS 66 far 0 55 0 - 8.7-9.0 HA LEU 38 - HA LYS 66 far 0 86 0 - 10.0-10.7 Violated in 1 structures by 0.00 A. Peak 10175 from cnoeabs.peaks (2.18, 3.31, 43.64 ppm; 5.29 A): 1 out of 5 assignments used, quality = 0.41: HB3 GLU 75 + HD2 ARG 46 OK 41 98 95 44 3.9-5.9 11072/1.8=30, 10865/12326=20 HG2 GLU 75 - HD2 ARG 46 far 15 100 15 - 5.4-7.8 HG3 GLU 75 - HD2 ARG 46 poor 10 100 25 39 4.8-7.4 9622/12326=23, ~11072=20 HG2 GLU 43 - HD2 ARG 46 far 5 98 5 - 5.3-7.5 HB2 GLN 72 - HD2 ARG 46 far 0 98 0 - 9.6-10.9 Violated in 2 structures by 0.04 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 3.2-5.2 2.1/9021=96...(30) Violated in 0 structures by 0.00 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 2.0-3.6 2.1/9021=82...(28) HG2 LYS 47 - HG3 ARG 46 far 0 68 0 - 5.8-8.2 HG3 LYS 39 - HG3 ARG 46 far 0 96 0 - 6.9-11.1 HG13 ILE 52 - HG3 ARG 46 far 0 100 0 - 8.7-9.9 HG2 LYS 73 - HG3 ARG 46 far 0 65 0 - 9.7-13.0 Violated in 0 structures by 0.00 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 2.0-4.8 2.1/9023=82, ~9021=67...(27) HG2 LYS 47 - HG2 ARG 46 far 8 84 10 - 4.8-8.2 HG3 LYS 39 - HG2 ARG 46 far 0 87 0 - 8.6-10.9 HG13 ILE 52 - HG2 ARG 46 far 0 99 0 - 8.9-10.7 HG2 LYS 53 - HG2 ARG 46 far 0 100 0 - 9.6-12.9 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 = 0.99: HG13 ILE 76 + HB2 ARG 46 OK 96 96 100 100 2.6-5.1 10177/3.0=74...(29) HG13 ILE 76 + HB3 ARG 46 OK 85 85 100 100 4.3-5.0 10177/3.0=74...(28) HG3 LYS 39 - HB2 ARG 46 far 0 99 0 - 7.5-10.3 HG3 LYS 39 - HB3 ARG 46 far 0 89 0 - 8.0-9.6 HG13 ILE 52 - HB2 ARG 46 far 0 100 0 - 9.1-10.0 HG13 ILE 52 - HB3 ARG 46 far 0 91 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 10180 from cnoeabs.peaks (1.45, 1.96, 29.74 ppm; 4.94 A): 2 out of 6 assignments used, quality = 0.99: HG13 ILE 76 + HB3 ARG 46 OK 96 96 100 100 4.3-5.0 10177/3.0=73...(28) HG13 ILE 76 + HB2 ARG 46 OK 85 85 100 100 2.6-5.1 10177/3.0=73...(29) HG3 LYS 39 - HB2 ARG 46 far 0 89 0 - 7.5-10.3 HG3 LYS 39 - HB3 ARG 46 far 0 99 0 - 8.0-9.6 HG13 ILE 52 - HB2 ARG 46 far 0 91 0 - 9.1-10.0 HG13 ILE 52 - HB3 ARG 46 far 0 100 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 10181 from cnoeabs.peaks (4.52, 2.43, 35.74 ppm; 4.19 A): 1 out of 2 assignments used, quality = 0.67: HA PHE 96 + HG3 GLU 99 OK 67 75 100 89 2.8-4.2 11025/1.8=45...(5) HA PHE 45 - HG3 GLU 48 far 0 100 0 - 4.8-6.5 Violated in 0 structures by 0.00 A. Peak 10182 from cnoeabs.peaks (4.53, 2.33, 35.74 ppm; 4.88 A): 2 out of 2 assignments used, quality = 0.83: HA PHE 45 + HG3 GLU 44 OK 79 79 100 100 3.8-4.8 ~6726=53, ~2023=51...(12) HA PHE 45 + HG2 GLU 48 OK 21 99 25 87 3.8-7.1 10190/2244=60...(5) Violated in 0 structures by 0.00 A. Peak 10183 from cnoeabs.peaks (1.48, 2.43, 35.74 ppm; 4.70 A increased from 4.43 A): 2 out of 12 assignments used, quality = 0.79: HG LEU 2 + HG3 GLU 48 OK 65 65 100 100 4.4-4.7 2.1/8056=85, 2.1/9043=78...(17) HG13 ILE 52 + HG3 GLU 48 OK 40 90 45 100 4.5-6.5 2.1/9044=78...(19) HD2 LYS 53 - HG3 GLU 99 far 0 68 0 - 5.3-9.9 HG2 LYS 20 - HG3 GLU 17 far 0 70 0 - 5.8-9.3 HG3 LYS 13 - HG3 GLU 17 far 0 74 0 - 6.5-9.1 HG2 LYS 47 - HG3 GLU 48 far 0 98 0 - 6.8-8.1 HG3 LYS 53 - HG3 GLU 99 far 0 76 0 - 7.2-11.1 HG2 LYS 53 - HG3 GLU 99 far 0 72 0 - 7.8-12.1 HG3 ARG 91 - HG3 GLU 99 far 0 59 0 - 8.0-11.5 HG3 LYS 53 - HG3 GLU 48 far 0 99 0 - 9.2-10.4 HG2 LYS 53 - HG3 GLU 48 far 0 96 0 - 9.3-11.0 HG2 LYS 12 - HG3 GLU 17 far 0 52 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 10184 from cnoeabs.peaks (1.71, 2.43, 35.74 ppm; 4.18 A): 3 out of 19 assignments used, quality = 0.90: HD3 LYS 90 + HG3 GLU 17 OK 70 74 95 100 3.0-6.7 12234=69, 10433/3.0=55...(42) HG2 PRO 86 + HG3 GLU 17 OK 46 70 90 74 3.1-5.4 2.3/12333=30...(8) HB2 LEU 2 + HG3 GLU 48 OK 39 98 40 99 4.0-5.4 3.1/8056=59, 3.1/9043=53...(17) HD2 LYS 13 - HG3 GLU 17 far 0 78 0 - 4.6-9.2 HD2 LYS 90 - HG3 GLU 17 far 0 65 0 - 4.6-6.3 HD2 LYS 20 - HG3 GLU 17 far 0 47 0 - 4.6-7.1 HD3 LYS 13 - HG3 GLU 17 far 0 80 0 - 4.9-9.0 HB3 LYS 53 - HG3 GLU 99 far 0 56 0 - 6.2-10.7 HD3 LYS 47 - HG3 GLU 48 far 0 71 0 - 6.3-9.1 HD2 LYS 47 - HG3 GLU 48 far 0 70 0 - 6.8-9.3 HB ILE 15 - HG3 GLU 17 far 0 77 0 - 7.0-8.8 HG12 ILE 15 - HG3 GLU 17 far 0 71 0 - 8.3-10.7 HB2 GLU 28 - HG3 GLU 48 far 0 81 0 - 8.6-11.3 HD3 LYS 24 - HG3 GLU 17 far 0 74 0 - 8.7-13.8 HD3 LYS 12 - HG3 GLU 17 far 0 78 0 - 8.8-13.1 HD2 LYS 24 - HG3 GLU 17 far 0 73 0 - 8.8-13.7 HD2 ARG 81 - HG3 GLU 99 far 0 76 0 - 9.1-12.7 HD2 LYS 12 - HG3 GLU 17 far 0 78 0 - 9.5-12.6 HB3 LYS 53 - HG3 GLU 48 far 0 79 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 10185 from cnoeabs.peaks (1.36, 2.35, 35.75 ppm; 5.37 A): 2 out of 9 assignments used, quality = 0.85: HG3 LYS 68 + HG3 GLU 69 OK 79 80 100 100 2.5-3.8 10799/1.8=80...(8) HB3 LEU 2 + HG2 GLU 48 OK 27 54 50 100 4.9-6.8 ~8056=64, ~10432=60...(19) QB ALA 67 - HG3 GLU 69 far 0 64 0 - 6.5-7.5 HB2 LEU 70 - HG3 GLU 69 far 0 87 0 - 6.9-7.3 HG LEU 14 - HG2 GLU 16 far 0 67 0 - 8.0-9.4 HG3 LYS 40 - HG3 GLU 44 far 0 100 0 - 8.0-9.4 QB ALA 89 - HG2 GLU 16 far 0 54 0 - 8.5-9.3 HB3 LEU 2 - HG3 GLU 44 far 0 73 0 - 8.6-9.9 HB3 ARG 30 - HG3 GLU 44 far 0 100 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 10186 from cnoeabs.peaks (1.47, 2.35, 35.75 ppm; 4.57 A): 1 out of 17 assignments used, quality = 0.80: HG2 LYS 47 + HG3 GLU 44 OK 80 84 100 95 3.4-4.6 3.0/10187=51...(10) HG2 LYS 12 - HG2 GLU 16 poor 8 62 45 28 3.8-6.6 8473/6239=15...(3) HG2 LYS 47 - HG2 GLU 48 far 0 63 0 - 5.0-7.4 HG2 LYS 73 - HG3 GLU 69 far 0 66 0 - 5.2-7.4 HG13 ILE 52 - HG2 GLU 48 far 0 81 0 - 5.4-7.4 HG2 LYS 20 - HG2 GLU 16 far 0 71 0 - 6.0-7.4 HG2 LYS 13 - HG2 GLU 16 far 0 42 0 - 6.2-8.7 HG3 LYS 13 - HG2 GLU 16 far 0 46 0 - 6.3-7.7 HG2 LYS 66 - HG3 GLU 69 far 0 67 0 - 6.6-7.6 HG LEU 64 - HG3 GLU 69 far 0 81 0 - 6.9-8.3 HG13 ILE 52 - HG3 GLU 44 far 0 99 0 - 7.6-8.9 HG3 LYS 66 - HG3 GLU 69 far 0 64 0 - 7.7-8.6 QB ALA 22 - HG2 GLU 16 far 0 49 0 - 8.6-9.3 HD3 LYS 40 - HG3 GLU 44 far 0 100 0 - 9.2-10.7 HB3 LEU 64 - HG3 GLU 69 far 0 69 0 - 9.3-10.7 HG13 ILE 76 - HG2 GLU 48 far 0 58 0 - 9.9-12.1 HG LEU 38 - HG3 GLU 69 far 0 86 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 10187 from cnoeabs.peaks (1.69, 2.35, 35.75 ppm; 3.84 A): 2 out of 26 assignments used, quality = 0.68: HD3 LYS 47 + HG3 GLU 44 OK 57 100 70 81 2.7-5.9 3.0/10186=41...(9) HD2 LYS 47 + HG3 GLU 44 OK 26 100 35 76 2.9-6.5 3.0/10186=41...(9) HD2 LYS 12 - HG2 GLU 16 poor 17 68 25 - 3.5-7.2 HD3 LYS 68 - HG3 GLU 69 far 8 51 15 - 3.9-6.4 HD2 LYS 68 - HG3 GLU 69 far 3 53 5 - 4.1-6.5 HD3 LYS 12 - HG2 GLU 16 lone 2 68 45 7 3.2-7.6 3.0/10186=4, 657/8981=2 HB ILE 52 - HG2 GLU 48 far 0 74 0 - 4.5-5.7 HD2 LYS 20 - HG2 GLU 16 far 0 70 0 - 4.6-5.7 HD3 LYS 20 - HG2 GLU 16 far 0 68 0 - 4.9-7.2 HD3 LYS 47 - HG2 GLU 48 far 0 82 0 - 4.9-8.7 HB2 LEU 2 - HG2 GLU 48 far 0 77 0 - 5.1-6.8 HG3 LYS 20 - HG2 GLU 16 far 0 68 0 - 5.1-8.4 HD2 LYS 73 - HG3 GLU 69 far 0 75 0 - 5.3-10.0 HD3 LYS 66 - HG3 GLU 69 far 0 82 0 - 5.4-6.0 HD2 LYS 47 - HG2 GLU 48 far 0 81 0 - 5.5-8.4 HD3 LYS 73 - HG3 GLU 69 far 0 73 0 - 5.7-10.0 HD3 LYS 13 - HG2 GLU 16 far 0 67 0 - 5.8-9.4 HD2 LYS 13 - HG2 GLU 16 far 0 68 0 - 5.9-9.5 HG12 ILE 15 - HG2 GLU 16 far 0 72 0 - 5.9-7.6 HG LEU 70 - HG3 GLU 69 far 0 84 0 - 6.1-6.5 HB ILE 52 - HG3 GLU 44 far 0 95 0 - 8.0-9.2 HB3 LEU 70 - HG3 GLU 69 far 0 64 0 - 8.1-8.2 HB2 LEU 2 - HG3 GLU 44 far 0 97 0 - 9.1-10.3 HG2 PRO 86 - HG2 GLU 16 far 0 72 0 - 9.4-11.2 HB3 LYS 40 - HG3 GLU 44 far 0 100 0 - 9.7-10.9 HD3 LYS 90 - HG2 GLU 16 far 0 71 0 - 9.8-12.3 Violated in 6 structures by 0.27 A. Peak 10192 from cnoeabs.peaks (1.43, 0.73, 20.80 ppm; 2.97 A): 2 out of 20 assignments used, quality = 0.91: HG LEU 29 + QG1 VAL 5 OK 75 100 80 94 2.7-3.8 8675/2.1=31, ~8192=24...(16) QB ALA 71 + QG2 VAL 78 OK 64 66 100 96 1.8-1.9 10835/2.1=36, 9553=32...(18) QB ALA 22 - QG1 VAL 5 far 0 100 0 - 3.5-4.1 HG12 ILE 7 - QG1 VAL 5 far 0 100 0 - 4.5-4.8 HB2 LEU 27 - QG1 VAL 5 far 0 79 0 - 5.2-5.8 HG13 ILE 76 - QG2 VAL 78 far 0 74 0 - 6.1-6.7 HG LEU 38 - QG2 VAL 78 far 0 50 0 - 6.1-6.7 HG2 LYS 53 - QG2 VAL 78 far 0 44 0 - 7.3-8.4 HB2 LEU 38 - QG2 VAL 78 far 0 56 0 - 7.4-8.4 HG3 LYS 39 - QG2 VAL 78 far 0 71 0 - 8.3-10.6 HD2 LYS 53 - QG2 VAL 78 far 0 50 0 - 8.3-9.8 QB ALA 71 - QG1 VAL 5 far 0 94 0 - 8.4-9.0 HG13 ILE 52 - QG2 VAL 78 far 0 53 0 - 8.4-9.9 HG2 LYS 20 - QG1 VAL 5 far 0 79 0 - 8.5-11.3 HG LEU 38 - QG1 VAL 5 far 0 75 0 - 8.9-9.4 HD2 LYS 53 - QG1 VAL 5 far 0 75 0 - 9.1-11.3 HG13 ILE 52 - QG1 VAL 5 far 0 79 0 - 9.3-10.3 HG3 ARG 91 - QG1 VAL 5 far 0 87 0 - 9.3-10.3 HG2 LYS 53 - QG1 VAL 5 far 0 68 0 - 9.7-10.5 HB2 LEU 38 - QG1 VAL 5 far 0 82 0 - 10.0-10.9 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 2.3-3.3 2.1/8192=74, 8675=71...(18) QB ALA 22 + HB VAL 5 OK 95 99 100 97 3.1-3.7 8578/2.1=54...(11) HB2 LEU 27 - HB VAL 5 far 0 99 0 - 4.3-5.1 HG12 ILE 7 - HB VAL 5 far 0 90 0 - 7.1-7.6 HG13 ILE 52 - HB VAL 5 far 0 99 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 10194 from cnoeabs.peaks (1.33, 0.73, 20.80 ppm; 4.40 A increased from 4.14 A): 1 out of 18 assignments used, quality = 0.48: QB ALA 67 + QG2 VAL 78 OK 48 75 100 64 4.1-4.2 4.9/8509=36...(7) QB ALA 89 - QG1 VAL 5 lone 6 100 45 13 4.3-5.0 12135/10691=12 HB3 LEU 27 - QG1 VAL 5 far 0 98 0 - 5.4-6.2 HB3 ARG 30 - QG1 VAL 5 far 0 59 0 - 5.5-6.0 HB2 LEU 70 - QG2 VAL 78 far 0 41 0 - 5.5-6.1 HG3 LYS 68 - QG2 VAL 78 far 0 67 0 - 5.6-6.4 QB ALA 25 - QG1 VAL 5 far 0 100 0 - 5.6-6.5 HB3 LEU 42 - QG2 VAL 78 far 0 53 0 - 5.9-6.5 HG12 ILE 8 - QG1 VAL 5 far 0 75 0 - 6.5-6.9 HG2 ARG 30 - QG1 VAL 5 far 0 61 0 - 6.9-7.8 QB ALA 67 - QG1 VAL 5 far 0 100 0 - 7.2-7.7 HG LEU 14 - QG1 VAL 5 far 0 94 0 - 7.6-8.3 HG2 LYS 94 - QG1 VAL 5 far 0 100 0 - 8.3-10.2 HG12 ILE 8 - QG2 VAL 78 far 0 50 0 - 8.4-9.0 HG2 LYS 39 - QG2 VAL 78 far 0 71 0 - 8.4-9.3 HG LEU 3 - QG1 VAL 5 far 0 71 0 - 8.9-9.2 HB3 ARG 30 - QG2 VAL 78 far 0 38 0 - 9.5-10.2 HB2 LYS 82 - QG2 VAL 78 far 0 72 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 10195 from cnoeabs.peaks (1.46, 0.98, 22.13 ppm; 3.59 A): 2 out of 11 assignments used, quality = 0.95: HG LEU 64 + QG2 THR 80 OK 92 92 100 100 2.7-3.7 2.1/10762=77...(19) HB3 LEU 64 + QG2 THR 80 OK 35 77 45 100 3.5-4.4 3.1/10762=60...(19) HG LEU 38 - QG2 THR 80 far 0 100 0 - 5.2-5.9 HD2 LYS 82 - QG2 THR 80 far 0 100 0 - 6.1-7.8 HG2 LYS 66 - QG2 THR 80 far 0 75 0 - 7.1-7.7 HB2 LEU 38 - QG2 THR 80 far 0 100 0 - 7.2-7.9 HG3 LYS 66 - QG2 THR 80 far 0 71 0 - 7.9-8.3 HG12 ILE 7 - QG2 THR 80 far 0 65 0 - 8.3-8.6 HG2 LYS 73 - QG2 THR 80 far 0 73 0 - 9.0-10.1 HG3 LYS 39 - QG2 THR 80 far 0 93 0 - 9.7-12.2 HG13 ILE 76 - QG2 THR 80 far 0 87 0 - 9.9-11.1 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 18 assignments used, quality = 0.92: HG12 ILE 56 + QG2 VAL 78 OK 67 76 100 89 3.1-3.6 9686/2.1=38, 9689/3.2=28...(13) HB ILE 7 + QG1 VAL 5 OK 53 98 100 54 3.4-3.7 8253/8178=18...(7) HG LEU 57 + QG1 VAL 5 OK 46 71 95 67 3.5-3.9 10695=22, 10214/8195=21...(10) HG LEU 6 - QG1 VAL 5 far 0 99 0 - 4.7-5.2 HG3 ARG 79 - QG2 VAL 78 far 0 76 0 - 4.7-6.0 HG12 ILE 56 - QG1 VAL 5 far 0 100 0 - 5.6-6.3 HG3 ARG 79 - QG1 VAL 5 far 0 100 0 - 6.0-9.2 HG2 ARG 79 - QG2 VAL 78 far 0 76 0 - 6.0-6.9 HG2 ARG 79 - QG1 VAL 5 far 0 100 0 - 6.7-8.6 HG3 ARG 30 - QG1 VAL 5 far 0 100 0 - 6.8-8.1 HG LEU 6 - QG2 VAL 78 far 0 74 0 - 6.8-7.6 HD3 LYS 53 - QG2 VAL 78 far 0 66 0 - 7.1-9.2 HB2 LEU 3 - QG1 VAL 5 far 0 93 0 - 7.7-8.0 HB3 GLU 28 - QG1 VAL 5 far 0 79 0 - 7.8-8.1 HD3 LYS 53 - QG1 VAL 5 far 0 94 0 - 8.8-9.9 HG LEU 57 - QG2 VAL 78 far 0 47 0 - 9.1-9.8 HB3 LEU 103 - QG2 VAL 78 far 0 72 0 - 9.4-19.0 HB2 LEU 14 - QG1 VAL 5 far 0 98 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 10197 from cnoeabs.peaks (1.64, 0.73, 20.80 ppm; 4.07 A increased from 3.83 A): 1 out of 21 assignments used, quality = 0.75: HB ILE 76 + QG2 VAL 78 OK 75 75 100 99 3.6-4.1 ~10906=58, 9646=39...(16) HB2 ARG 79 - QG2 VAL 78 far 0 37 0 - 4.9-5.3 HB3 LEU 6 - QG1 VAL 5 far 0 99 0 - 4.9-5.3 HB3 ARG 79 - QG2 VAL 78 far 0 70 0 - 5.3-5.7 HG2 LYS 68 - QG2 VAL 78 far 0 76 0 - 5.7-6.2 HD3 LYS 68 - QG2 VAL 78 far 0 72 0 - 5.9-7.5 HD2 LYS 68 - QG2 VAL 78 far 0 72 0 - 6.0-7.6 HB3 ARG 79 - QG1 VAL 5 far 0 97 0 - 6.1-8.2 HB2 ARG 30 - QG1 VAL 5 far 0 63 0 - 6.5-6.9 HB2 ARG 79 - QG1 VAL 5 far 0 57 0 - 6.5-8.4 HB3 LEU 6 - QG2 VAL 78 far 0 74 0 - 6.9-7.6 HB ILE 52 - QG2 VAL 78 far 0 51 0 - 9.1-10.2 HD2 LYS 73 - QG2 VAL 78 far 0 56 0 - 9.1-10.4 HD2 LYS 39 - QG2 VAL 78 far 0 70 0 - 9.2-11.3 HG3 LYS 20 - QG1 VAL 5 far 0 70 0 - 9.3-11.5 HD3 LYS 73 - QG2 VAL 78 far 0 58 0 - 9.6-10.2 HD2 LYS 94 - QG1 VAL 5 far 0 96 0 - 9.6-10.8 HD3 LYS 20 - QG1 VAL 5 far 0 70 0 - 9.7-11.8 HD3 LYS 39 - QG2 VAL 78 far 0 76 0 - 9.9-11.0 HD2 LYS 20 - QG1 VAL 5 far 0 63 0 - 9.9-11.6 HD2 LYS 66 - QG2 VAL 78 far 0 38 0 - 9.9-11.2 Violated in 2 structures by 0.01 A. Peak 10198 from cnoeabs.peaks (2.04, 0.73, 20.80 ppm; 4.20 A): 1 out of 12 assignments used, quality = 0.92: HG12 ILE 93 + QG1 VAL 5 OK 92 100 100 92 2.0-2.8 10016/8195=43...(11) HB2 MET 21 - QG1 VAL 5 far 0 99 0 - 6.2-7.1 HB2 MET 74 - QG2 VAL 78 far 0 63 0 - 7.1-8.0 HB3 LEU 38 - QG2 VAL 78 far 0 50 0 - 7.4-8.6 HB3 LYS 94 - QG1 VAL 5 far 0 93 0 - 8.1-8.8 HG2 GLU 28 - QG1 VAL 5 far 0 90 0 - 8.2-9.7 HB3 GLU 17 - QG1 VAL 5 far 0 68 0 - 8.3-9.0 HG3 GLU 28 - QG1 VAL 5 far 0 90 0 - 8.3-9.6 HB3 GLU 88 - QG1 VAL 5 far 0 65 0 - 8.6-9.4 HB2 GLU 99 - QG1 VAL 5 far 0 100 0 - 8.8-12.1 HB3 LEU 38 - QG1 VAL 5 far 0 75 0 - 9.7-10.5 HB3 GLU 99 - QG1 VAL 5 far 0 100 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 10199 from cnoeabs.peaks (2.90, 0.98, 22.13 ppm; 5.64 A increased from 5.01 A): 2 out of 5 assignments used, quality = 1.00: HE3 LYS 68 + QG2 THR 80 OK 99 99 100 100 2.7-5.9 3.6/10256=83...(20) HE2 LYS 68 + QG2 THR 80 OK 89 99 90 100 3.7-6.1 3.6/10256=83...(19) HE3 LYS 66 - QG2 THR 80 far 0 100 0 - 7.4-10.0 HB2 ASN 60 - QG2 THR 80 far 0 99 0 - 7.9-8.5 HE2 LYS 66 - QG2 THR 80 far 0 100 0 - 8.1-10.1 Violated in 0 structures by 0.00 A. Peak 10200 from cnoeabs.peaks (8.55, 5.34, 59.36 ppm; 4.51 A increased from 4.25 A): 1 out of 3 assignments used, quality = 0.89: H ASN 51 + HA ILE 52 OK 89 91 100 98 4.3-4.4 6853/3.0=72, ~6854=41...(9) H VAL 58 - HA THR 80 far 0 65 0 - 5.2-5.5 H GLN 50 - HA ILE 52 far 0 100 0 - 5.7-6.6 Violated in 0 structures by 0.00 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 4.0-4.5 4.3/9066=56, 4.3/9072=53...(13) H ASN 51 + QG2 ILE 52 OK 98 98 100 100 3.7-4.2 6853/6861=72...(18) H VAL 58 - QG2 ILE 8 far 0 68 0 - 5.3-6.0 H LEU 2 - QG2 ILE 52 far 0 63 0 - 5.6-5.9 H ASP 61 - QG2 ILE 8 far 0 44 0 - 7.8-8.4 H LYS 12 - QG2 ILE 8 far 0 61 0 - 9.6-10.1 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 2.5-3.2 9293/6902=60...(17) 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 2.2-2.8 9239/3.2=77, 8144/3.2=74...(20) HB2 TYR 41 - HA VAL 54 far 0 94 0 - 7.7-8.3 HB2 GLU 48 - HA VAL 54 far 0 100 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 10206 from cnoeabs.peaks (1.67, 0.65, 22.12 ppm; 5.45 A increased from 4.36 A): 3 out of 9 assignments used, quality = 1.00: HB ILE 52 + QG2 VAL 54 OK 99 100 100 99 5.1-5.7 3.0/9240=89...(5) HB3 LYS 53 + QG2 VAL 54 OK 95 95 100 100 4.7-5.3 3.0/9200=89, 4.4/6897=81...(9) HB ILE 76 + QG2 VAL 54 OK 87 87 100 100 4.3-5.4 2.1/11070=100, ~9233=67...(5) HB2 LEU 2 - QG2 VAL 54 poor 15 71 30 69 5.7-6.1 8051/9240=42...(5) HB3 LEU 6 - QG2 VAL 54 far 0 92 0 - 6.1-6.7 HB3 ARG 79 - QG2 VAL 54 far 0 97 0 - 7.1-8.4 HD3 LYS 47 - QG2 VAL 54 far 0 98 0 - 8.5-9.9 HD2 LYS 47 - QG2 VAL 54 far 0 98 0 - 9.1-10.4 HB2 LYS 40 - QG2 VAL 54 far 0 90 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 10207 from cnoeabs.peaks (1.53, 0.65, 22.12 ppm; 4.77 A increased from 4.49 A): 2 out of 12 assignments used, quality = 0.99: HG LEU 6 + QG2 VAL 54 OK 97 100 100 97 3.8-4.9 8205/9223=50...(13) HG12 ILE 56 + QG2 VAL 54 OK 83 100 100 83 4.8-5.1 ~10678=55, 10209/2.1=32...(5) HB3 GLU 28 - QG2 VAL 54 far 0 71 0 - 6.3-7.5 HG3 ARG 30 - QG2 VAL 54 far 0 100 0 - 6.4-9.0 HD3 LYS 53 - QG2 VAL 54 far 0 90 0 - 6.5-7.2 HB2 LEU 3 - QG2 VAL 54 far 0 88 0 - 6.7-7.6 HG3 ARG 79 - QG2 VAL 54 far 0 100 0 - 6.8-9.2 HG LEU 2 - QG2 VAL 54 far 0 96 0 - 7.6-8.6 HG2 LYS 47 - QG2 VAL 54 far 0 59 0 - 7.7-9.1 HG2 ARG 79 - QG2 VAL 54 far 0 100 0 - 7.8-9.1 HB ILE 7 - QG2 VAL 54 far 0 99 0 - 9.4-10.2 HG LEU 57 - QG2 VAL 54 far 0 79 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 10208 from cnoeabs.peaks (1.46, 0.65, 22.12 ppm; 4.65 A increased from 4.13 A): 1 out of 12 assignments used, quality = 0.96: HG13 ILE 52 + QG2 VAL 54 OK 96 100 100 96 3.6-4.7 1.8/9240=88...(9) HG2 LYS 53 - QG2 VAL 54 far 0 100 0 - 5.3-5.9 HG13 ILE 76 - QG2 VAL 54 far 0 91 0 - 5.6-6.4 HG3 LYS 53 - QG2 VAL 54 far 0 99 0 - 5.9-6.3 HD2 LYS 53 - QG2 VAL 54 far 0 100 0 - 7.2-7.7 HG LEU 29 - QG2 VAL 54 far 0 90 0 - 7.6-8.8 HG2 LYS 47 - QG2 VAL 54 far 0 70 0 - 7.7-9.1 HB2 LEU 27 - QG2 VAL 54 far 0 100 0 - 7.8-9.3 HG LEU 38 - QG2 VAL 54 far 0 100 0 - 7.9-8.5 QB ALA 22 - QG2 VAL 54 far 0 90 0 - 8.0-8.9 HB2 LEU 38 - QG2 VAL 54 far 0 100 0 - 8.4-9.1 HG3 LYS 39 - QG2 VAL 54 far 0 96 0 - 9.1-10.3 Violated in 1 structures by 0.00 A. Peak 10209 from cnoeabs.peaks (1.52, 0.76, 21.39 ppm; 3.30 A): 3 out of 22 assignments used, quality = 0.98: HG LEU 6 + QG1 VAL 54 OK 92 100 100 92 2.2-2.9 6066/6068=39, 215=36...(14) HG12 ILE 56 + QG1 VAL 54 OK 62 99 100 63 2.4-3.1 ~10678=24, 10659/6905=15...(8) HG12 ILE 56 + QG1 VAL 78 OK 31 80 50 77 3.5-4.2 2579/2.1=23...(11) HG3 ARG 79 - QG1 VAL 54 far 0 97 0 - 5.3-8.4 HG LEU 6 - QG1 VAL 78 far 0 83 0 - 5.8-6.4 HG3 ARG 79 - QG1 VAL 78 far 0 77 0 - 6.0-7.5 HG3 ARG 30 - QG1 VAL 54 far 0 99 0 - 6.0-7.8 HD3 LYS 53 - QG1 VAL 78 far 0 56 0 - 6.1-8.1 HG2 ARG 79 - QG1 VAL 54 far 0 98 0 - 6.6-8.4 HG2 ARG 79 - QG1 VAL 78 far 0 78 0 - 7.1-7.9 HB ILE 7 - QG1 VAL 54 far 0 100 0 - 7.2-7.8 HG LEU 57 - QG1 VAL 54 far 0 92 0 - 7.3-7.7 HD3 LYS 53 - QG1 VAL 54 far 0 75 0 - 7.4-8.3 HB2 LEU 3 - QG1 VAL 54 far 0 73 0 - 7.5-8.2 HG2 LYS 73 - QG1 VAL 78 far 0 59 0 - 8.5-9.3 HG3 ARG 30 - QG1 VAL 78 far 0 81 0 - 9.2-11.1 HG2 LYS 47 - QG1 VAL 78 far 0 57 0 - 9.2-11.1 HB2 LEU 3 - QG1 VAL 78 far 0 54 0 - 9.2-10.2 HG2 LYS 47 - QG1 VAL 54 far 0 77 0 - 9.4-10.8 HG LEU 2 - QG1 VAL 78 far 0 82 0 - 9.7-11.3 HG LEU 2 - QG1 VAL 54 far 0 100 0 - 9.7-10.6 HG LEU 57 - QG1 VAL 78 far 0 71 0 - 9.8-10.5 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 10 assignments used, quality = 0.82: QB ALA 71 + QG1 VAL 78 OK 82 83 100 98 1.9-2.4 9685/2.1=53...(17) QB ALA 71 - QG1 VAL 54 far 0 100 0 - 4.5-5.0 HG13 ILE 76 - QG1 VAL 78 far 0 65 0 - 4.7-5.0 HG LEU 29 - QG1 VAL 54 far 0 87 0 - 6.0-7.0 QB ALA 22 - QG1 VAL 54 far 0 87 0 - 7.0-7.8 HG13 ILE 76 - QG1 VAL 54 far 0 85 0 - 7.4-8.0 HG3 LYS 39 - QG1 VAL 78 far 0 57 0 - 8.1-9.7 HG12 ILE 7 - QG1 VAL 54 far 0 98 0 - 8.1-8.7 HG3 LYS 39 - QG1 VAL 54 far 0 77 0 - 9.3-10.4 HG LEU 29 - QG1 VAL 78 far 0 66 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 10211 from cnoeabs.peaks (0.44, 0.83, 23.91 ppm; 3.84 A increased from 3.23 A): 2 out of 3 assignments used, quality = 1.00: QD1 LEU 55 + QD1 LEU 57 OK 100 100 100 100 3.3-3.7 9272/2.1=84...(27) HG2 ARG 81 + QD1 LEU 57 OK 33 99 35 94 2.5-5.2 9747/2.1=27, 2.9/9744=27...(15) QD1 LEU 3 - QD1 LEU 57 far 0 85 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 10212 from cnoeabs.peaks (0.50, 0.83, 23.91 ppm; 3.71 A increased from 3.30 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 55 + QD1 LEU 57 OK 100 100 100 100 2.9-3.6 9269/2.1=81, 9268/2.1=51...(16) QD1 LEU 3 - QD1 LEU 57 far 0 57 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 10213 from cnoeabs.peaks (0.45, 0.80, 25.48 ppm; 4.21 A): 2 out of 8 assignments used, quality = 0.99: QD1 LEU 55 + QD2 LEU 57 OK 96 96 100 100 1.8-3.2 2.1/9269=92, 9272=63...(28) HG2 ARG 81 + QD2 LEU 57 OK 76 87 95 92 3.1-4.7 2.9/9364=29, 9747/2.1=24...(13) QD1 LEU 55 - QD1 LEU 6 far 0 61 0 - 6.8-7.2 QD1 LEU 55 - QD2 LEU 38 far 0 57 0 - 7.4-7.9 QD1 LEU 3 - QD2 LEU 57 far 0 99 0 - 8.4-9.4 HG2 ARG 81 - QD1 LEU 6 far 0 53 0 - 9.4-11.4 HG2 ARG 81 - QD2 LEU 38 far 0 49 0 - 9.5-11.1 QD1 LEU 3 - QD1 LEU 6 far 0 64 0 - 9.8-10.3 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 2.6-3.7 9268=90, 9269/2.1=89...(16) QD2 LEU 55 - HG3 ARG 30 far 0 45 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 10215 from cnoeabs.peaks (2.09, 1.82, 42.45 ppm; 6.50 A increased from 5.87 A): 1 out of 4 assignments used, quality = 0.94: HB VAL 83 + HB3 LEU 57 OK 94 94 100 100 6.5-6.6 ~9819=98, 9362/1.8=97...(20) HB3 GLU 88 - HB3 LEU 57 far 0 95 0 - 7.8-8.5 QE MET 21 - HB3 LEU 57 far 0 100 0 - 9.3-10.0 HB2 PRO 86 - HB3 LEU 57 far 0 85 0 - 9.9-10.6 Violated in 20 structures by 0.07 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 2.0-2.6 9269=96, 10212/2.1=72...(19) QD2 LEU 55 - QD1 LEU 6 far 0 63 0 - 7.0-7.3 QD2 LEU 55 - QD2 LEU 38 far 0 60 0 - 7.8-8.2 Violated in 0 structures by 0.00 A. Peak 10218 from cnoeabs.peaks (1.88, 0.68, 19.32 ppm; 4.92 A): 1 out of 4 assignments used, quality = 0.98: HB ILE 8 + QG2 VAL 58 OK 98 98 100 100 4.4-4.8 10224/2.1=98...(23) HB3 LYS 68 - QG2 VAL 58 far 0 98 0 - 6.1-6.9 HB3 LYS 66 - QG2 VAL 58 far 0 90 0 - 6.2-6.5 HB3 LEU 14 - QG2 VAL 58 far 0 93 0 - 9.5-10.1 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 7 assignments used, quality = 0.97: HB2 LEU 64 + QG2 VAL 58 OK 97 97 100 100 2.8-3.1 9474=94, 1.8/9379=91...(20) HB3 GLU 62 - QG2 VAL 58 far 0 61 0 - 6.1-6.9 HB VAL 83 - QG2 VAL 58 far 0 97 0 - 6.5-6.7 HB2 GLU 69 - QG2 VAL 58 far 0 100 0 - 8.5-9.0 HG2 GLU 88 - QG2 VAL 58 far 0 96 0 - 8.6-10.3 HG2 GLU 69 - QG2 VAL 58 far 0 100 0 - 8.7-9.1 HB3 GLU 69 - QG2 VAL 58 far 0 100 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 10220 from cnoeabs.peaks (2.21, 0.68, 19.32 ppm; 4.31 A): 1 out of 3 assignments used, quality = 0.98: HB2 GLU 63 + QG2 VAL 58 OK 98 98 100 100 3.0-3.5 1.8/9380=86...(27) HG3 GLU 35 - QG2 VAL 58 far 0 98 0 - 9.1-11.2 HG2 GLU 35 - QG2 VAL 58 far 0 98 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 10221 from cnoeabs.peaks (0.97, 0.68, 19.32 ppm; 4.20 A increased from 3.73 A): 2 out of 5 assignments used, quality = 1.00: QG2 THR 80 + QG2 VAL 58 OK 99 100 100 99 3.0-4.1 10223/2.1=84...(13) QG2 VAL 83 + QG2 VAL 58 OK 97 99 100 99 4.1-4.2 7354/9803=64...(10) QG1 VAL 83 - QG2 VAL 58 far 0 65 0 - 4.6-5.3 HG LEU 55 - QG2 VAL 58 far 0 99 0 - 7.3-8.0 QG2 VAL 5 - QG2 VAL 58 far 0 81 0 - 9.2-9.8 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 3.2-4.0 9763=88, 1.8/9760=74...(11) QG2 THR 31 - QG2 VAL 58 far 0 97 0 - 9.1-9.6 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 = 0.95: QG2 THR 80 + QG1 VAL 58 OK 95 100 100 95 2.8-3.2 9732/9384=42...(13) QG2 VAL 83 - QG1 VAL 58 far 0 92 0 - 4.8-5.0 QG1 VAL 83 - QG1 VAL 58 far 0 82 0 - 5.8-6.4 HG LEU 55 - QG1 VAL 58 far 0 93 0 - 6.9-7.1 QG2 VAL 5 - QG1 VAL 58 far 0 63 0 - 8.4-8.6 Violated in 0 structures by 0.00 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 2.2-2.6 9374/3.2=50, 295=48...(23) HB3 LYS 66 - QG1 VAL 58 far 0 82 0 - 5.1-5.4 HB3 LYS 68 - QG1 VAL 58 far 0 95 0 - 5.9-6.3 HG LEU 42 - QG1 VAL 58 far 0 99 0 - 8.5-8.9 HB VAL 54 - QG1 VAL 58 far 0 100 0 - 8.7-9.1 HB3 LYS 33 - QG1 VAL 58 far 0 82 0 - 9.1-9.9 HB3 LEU 14 - QG1 VAL 58 far 0 97 0 - 9.4-10.0 HB2 LYS 33 - QG1 VAL 58 far 0 79 0 - 9.4-10.2 HB VAL 5 - QG1 VAL 58 far 0 82 0 - 9.6-10.0 HB3 LYS 39 - QG1 VAL 58 far 0 84 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 10225 from cnoeabs.peaks (1.78, 0.72, 21.78 ppm; 3.55 A): 1 out of 7 assignments used, quality = 1.00: HB3 GLU 63 + QG1 VAL 58 OK 100 100 100 100 2.8-3.1 9380/2.1=58, 1.8/9381=58...(29) HB ILE 56 - QG1 VAL 58 far 5 96 5 - 3.8-4.2 HB2 LYS 66 - QG1 VAL 58 far 0 98 0 - 6.3-6.6 HB3 LYS 82 - QG1 VAL 58 far 0 97 0 - 6.3-6.8 HB VAL 78 - QG1 VAL 58 far 0 100 0 - 7.6-8.3 HB2 GLU 88 - QG1 VAL 58 far 0 75 0 - 9.2-9.7 HB2 LYS 39 - QG1 VAL 58 far 0 92 0 - 9.7-11.0 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 3.5-3.7 3.0/10225=85...(30) HB3 SER 9 - QG1 VAL 58 far 0 100 0 - 6.3-7.9 HA GLU 35 - QG1 VAL 58 far 0 70 0 - 6.8-7.7 HA ALA 89 - QG1 VAL 58 far 0 92 0 - 8.6-8.8 Violated in 0 structures by 0.00 A. Peak 10227 from cnoeabs.peaks (3.94, 0.68, 19.32 ppm; 6.27 A): 1 out of 4 assignments used, quality = 0.85: HA GLU 63 + QG2 VAL 58 OK 85 85 100 100 4.4-4.8 3.0/9380=99...(26) HB3 SER 9 - QG2 VAL 58 far 0 98 0 - 6.7-8.6 HA ALA 89 - QG2 VAL 58 far 0 61 0 - 8.3-8.7 HB2 SER 85 - QG2 VAL 58 far 0 65 0 - 9.8-10.2 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 1.9-2.4 7343/9803=48...(19) HA LEU 55 - QG2 VAL 58 far 0 59 0 - 8.1-8.9 HA ARG 79 - QG2 VAL 58 far 0 100 0 - 8.5-9.2 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 99 100 100 99 3.7-3.9 10337=76, 10160/1.8=70...(8) QD2 LEU 38 + HB2 LEU 6 OK 71 96 100 74 3.1-3.6 12071/1.8=30, ~12070=29...(8) QD1 LEU 38 - HB2 LEU 6 far 4 88 5 - 4.0-4.5 QG2 ILE 7 - HB2 LEU 6 far 0 59 0 - 6.0-6.1 QD1 LEU 57 - HB2 LEU 6 far 0 99 0 - 6.9-7.8 QD1 LEU 70 - HB2 LEU 6 far 0 90 0 - 7.5-8.7 QD1 ILE 76 - HB2 LEU 6 far 0 63 0 - 8.0-8.4 QG2 ILE 15 - HB2 LEU 6 far 0 81 0 - 8.8-9.5 QD2 LEU 70 - HB2 LEU 6 far 0 77 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 10230 from cnoeabs.peaks (0.82, 5.47, 52.09 ppm; 4.05 A): 2 out of 10 assignments used, quality = 1.00: QG2 VAL 32 + HA LEU 6 OK 99 99 100 99 3.7-4.0 10154=76, 10160/3.0=63...(8) QG2 ILE 7 + HA LEU 6 OK 82 85 100 96 4.0-4.2 6080/6072=68, 8256=47...(7) QD2 LEU 38 - HA LEU 6 far 0 100 0 - 4.5-5.0 QD2 LEU 57 - HA LEU 6 far 0 81 0 - 4.8-6.5 QD1 LEU 38 - HA LEU 6 far 0 63 0 - 6.0-6.4 QG2 ILE 15 - HA LEU 6 far 0 97 0 - 6.6-7.3 QG2 ILE 8 - HA LEU 6 far 0 63 0 - 7.0-7.6 QD1 LEU 57 - HA LEU 6 far 0 100 0 - 7.4-8.1 QD1 LEU 70 - HA LEU 6 far 0 99 0 - 9.4-10.5 QD1 ILE 76 - HA LEU 6 far 0 88 0 - 9.9-10.3 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 = 1.00: QG2 VAL 32 + HB3 LEU 6 OK 92 92 100 100 2.2-2.5 10160=87, 10337/1.8=68...(9) QD1 LEU 38 + HB3 LEU 6 OK 83 99 100 83 4.0-4.4 12070=46, 2.1/12071=37...(8) QD2 LEU 38 + HB3 LEU 6 OK 67 79 100 84 2.4-2.9 2.1/12070=36...(7) HG13 ILE 8 - HB3 LEU 6 far 10 65 15 - 4.2-5.1 QD1 LEU 70 - HB3 LEU 6 far 0 65 0 - 7.3-8.4 QD1 LEU 57 - HB3 LEU 6 far 0 87 0 - 7.5-8.3 QG2 ILE 76 - HB3 LEU 6 far 0 73 0 - 8.7-9.2 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 2.8-3.4 8698/218=62, 4.0/8717=51...(12) H VAL 83 - QD2 LEU 14 far 0 65 0 - 5.8-6.1 H ARG 30 - QD2 LEU 14 far 0 72 0 - 9.0-9.4 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 2.0-2.3 9375=96, 2.1/10225=83...(28) 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 12 assignments used, quality = 0.92: HB2 ASN 60 + HG2 GLU 63 OK 92 93 100 99 3.1-3.8 9423/1.8=65, ~9424=49...(7) HE2 LYS 20 - HG3 GLU 16 far 5 100 5 - 4.0-7.8 HE3 LYS 20 - HG3 GLU 16 far 0 100 0 - 4.9-8.8 HE3 LYS 20 - HG2 GLU 23 far 0 56 0 - 5.6-9.0 HE3 LYS 39 - HG3 GLU 43 far 0 24 0 - 5.8-7.8 HE2 LYS 20 - HG2 GLU 23 far 0 57 0 - 6.9-8.7 HE3 LYS 66 - HG2 GLU 63 far 0 99 0 - 7.6-11.4 HE2 LYS 66 - HG2 GLU 63 far 0 96 0 - 7.8-11.5 HE3 LYS 73 - HG3 GLU 43 far 0 23 0 - 7.8-15.6 HB2 ASN 10 - HG2 GLU 63 far 0 95 0 - 8.1-10.7 HG2 MET 21 - HG2 GLU 23 far 0 38 0 - 8.5-9.7 HE3 LYS 90 - HG3 GLU 16 far 0 85 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 10235 from cnoeabs.peaks (2.61, 3.91, 58.27 ppm; 4.69 A): 1 out of 2 assignments used, quality = 0.96: HB VAL 58 + HA GLU 63 OK 96 96 100 100 4.4-4.5 2.1/10226=74...(24) HB3 ASP 65 - HA GLU 63 far 0 81 0 - 5.9-6.4 Violated in 0 structures by 0.00 A. Peak 10236 from cnoeabs.peaks (2.60, 2.20, 29.93 ppm; 4.31 A): 1 out of 2 assignments used, quality = 1.00: HB VAL 58 + HB2 GLU 63 OK 100 100 100 100 2.0-2.2 10700=100, 9375/1.8=85...(27) HB3 ASP 65 - HB2 GLU 63 far 0 63 0 - 7.9-8.3 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 - 5.7-6.1 HB3 SER 59 - HA GLU 63 far 0 75 0 - 8.1-9.5 Violated in 20 structures by 1.54 A. Peak 10242 from cnoeabs.peaks (1.64, 0.86, 25.46 ppm; 3.63 A): 2 out of 11 assignments used, quality = 0.63: HD2 LYS 68 + QD2 LEU 64 OK 41 96 45 96 2.8-5.3 10264/2.1=65...(23) HD3 LYS 68 + QD2 LEU 64 OK 37 96 40 96 3.1-5.3 ~10264=44, ~11010=40...(25) HG2 LYS 68 - QD2 LEU 64 far 0 100 0 - 4.5-4.9 HB3 ARG 79 - QD1 LEU 103 far 0 52 0 - 5.1-16.9 HB2 ARG 79 - QD1 LEU 103 far 0 32 0 - 5.3-15.7 HB3 ARG 79 - QD2 LEU 64 far 0 94 0 - 8.4-9.3 HB ILE 52 - QD1 LEU 103 far 0 34 0 - 8.6-16.7 HD2 LYS 66 - QD2 LEU 64 far 0 68 0 - 8.7-10.0 HD3 LYS 94 - QD1 LEU 103 far 0 30 0 - 9.2-20.7 HD2 LYS 94 - QD1 LEU 103 far 0 56 0 - 9.6-21.1 HB2 ARG 79 - QD2 LEU 64 far 0 65 0 - 9.7-10.2 Violated in 11 structures by 0.11 A. Peak 10243 from cnoeabs.peaks (1.65, 0.74, 24.36 ppm; 4.76 A increased from 3.81 A): 3 out of 5 assignments used, quality = 1.00: HG2 LYS 68 + QD1 LEU 64 OK 100 100 100 100 4.2-4.8 3.0/10264=85...(13) HD3 LYS 68 + QD1 LEU 64 OK 95 100 95 100 3.1-5.1 1.8/10264=98, ~12320=43...(26) HD2 LYS 68 + QD1 LEU 64 OK 80 100 80 100 3.4-5.5 10264=100, 10242/2.1=47...(26) HB3 ARG 79 - QD1 LEU 64 far 0 100 0 - 6.3-7.2 HB3 LEU 6 - QD1 LEU 64 far 0 100 0 - 8.6-9.3 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 1.9-2.0 9724=99, 2.1/10762=74...(23) 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 = 0.97: HB THR 80 + HG LEU 64 OK 96 96 100 100 3.1-3.8 9721=93, 9724/2.1=92...(18) HA GLU 88 + HG3 ARG 91 OK 28 52 55 100 4.6-5.9 4034/2.8=77, 4024/2.8=75...(15) HA LYS 90 - HG3 ARG 91 far 0 51 0 - 7.0-7.4 HB THR 80 - HG LEU 38 far 0 73 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 10246 from cnoeabs.peaks (3.68, 0.86, 25.46 ppm; 4.85 A): 1 out of 5 assignments used, quality = 1.00: HB THR 80 + QD2 LEU 64 OK 100 100 100 100 3.9-4.2 9724/2.1=99, 9721/2.1=86...(20) HA3 GLY 100 - QD1 LEU 103 far 1 30 5 - 4.4-10.3 HA GLU 88 - QD1 LEU 103 far 0 52 0 - 9.2-23.6 HB THR 80 - QD1 LEU 103 far 0 60 0 - 9.4-21.7 HA LYS 90 - QD1 LEU 103 far 0 58 0 - 10.0-22.6 Violated in 0 structures by 0.00 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 3.5-4.0 10939=99, 7332/10252=72...(12) H ARG 81 - QD2 LEU 64 far 0 79 0 - 5.0-5.7 H ARG 81 - QD1 LEU 103 far 0 40 0 - 8.5-21.4 H LYS 82 - QD1 LEU 103 far 0 58 0 - 9.0-23.8 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 2.7-3.1 7328=72, 10939/2.1=59...(17) H ARG 81 + QD1 LEU 64 OK 92 92 100 100 2.7-3.4 7318=89, 3.0/9483=54...(20) 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 3.8-4.3 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 4.8-4.9 7029/2810=96...(6) H GLU 62 + HB2 LEU 64 OK 98 99 100 100 4.9-5.1 3.6/9449=97...(8) H THR 80 - HB2 LEU 64 far 0 90 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 10251 from cnoeabs.peaks (8.40, 1.49, 41.70 ppm; 5.48 A): 1 out of 3 assignments used, quality = 0.96: H GLU 63 + HB3 LEU 64 OK 96 96 100 100 5.3-5.4 7027/7037=96...(11) H GLU 62 - HB3 LEU 64 far 0 100 0 - 6.1-6.3 H THR 80 - HB3 LEU 64 far 0 95 0 - 7.8-8.3 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 10 assignments used, quality = 1.00: HB2 LYS 82 + QD2 LEU 64 OK 100 100 100 100 2.5-3.0 9756=56, 1.8/10253=52...(17) QB ALA 67 - QD2 LEU 64 far 0 100 0 - 5.0-5.3 HG3 LYS 68 - QD2 LEU 64 far 0 100 0 - 5.3-6.0 HG2 LYS 94 - QD1 LEU 103 far 0 59 0 - 7.3-18.7 HG3 LYS 94 - QD1 LEU 103 far 0 30 0 - 7.7-19.6 QB ALA 25 - QD1 LEU 103 far 0 59 0 - 8.3-15.3 QB ALA 89 - QD1 LEU 103 far 0 59 0 - 8.9-19.9 HG12 ILE 8 - QD2 LEU 64 far 0 92 0 - 9.4-10.2 HB2 LEU 70 - QD2 LEU 64 far 0 84 0 - 9.7-10.4 QB ALA 89 - QD2 LEU 64 far 0 100 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 10253 from cnoeabs.peaks (1.77, 0.86, 25.46 ppm; 4.33 A increased from 4.07 A): 1 out of 8 assignments used, quality = 1.00: HB3 LYS 82 + QD2 LEU 64 OK 100 100 100 100 3.8-4.3 9758=96, 1.8/10252=93...(18) HB3 GLU 63 - QD2 LEU 64 far 0 99 0 - 6.0-6.2 HB ILE 56 - QD2 LEU 64 far 0 100 0 - 6.9-7.5 HB2 LYS 66 - QD2 LEU 64 far 0 100 0 - 8.5-8.9 HB ILE 93 - QD1 LEU 103 far 0 34 0 - 8.6-20.4 HB VAL 78 - QD2 LEU 64 far 0 99 0 - 9.6-10.8 HB VAL 78 - QD1 LEU 103 far 0 57 0 - 9.7-17.3 HB ILE 56 - QD1 LEU 103 far 0 59 0 - 9.9-20.4 Violated in 0 structures by 0.00 A. Peak 10254 from cnoeabs.peaks (1.34, 0.74, 24.36 ppm; 3.40 A): 2 out of 6 assignments used, quality = 1.00: HB2 LYS 82 + QD1 LEU 64 OK 99 100 100 99 2.4-3.0 10252/2.1=62...(17) QB ALA 67 + QD1 LEU 64 OK 73 100 75 97 3.3-3.9 9732/10762=57...(17) HG3 LYS 68 - QD1 LEU 64 far 0 99 0 - 5.4-5.9 HG12 ILE 8 - QD1 LEU 64 far 0 85 0 - 7.3-8.2 QB ALA 89 - QD1 LEU 64 far 0 100 0 - 8.4-8.7 HB2 LEU 70 - QD1 LEU 64 far 0 75 0 - 8.4-9.4 Violated in 0 structures by 0.00 A. Peak 10255 from cnoeabs.peaks (1.77, 0.74, 24.36 ppm; 4.51 A increased from 4.24 A): 2 out of 7 assignments used, quality = 1.00: HB3 LYS 82 + QD1 LEU 64 OK 99 99 100 100 3.8-4.5 9758/2.1=78, ~10252=67...(17) HB ILE 56 + QD1 LEU 64 OK 87 99 90 97 4.3-5.0 10921/7318=60...(6) HB3 GLU 63 - QD1 LEU 64 far 0 100 0 - 5.6-5.9 HB VAL 78 - QD1 LEU 64 far 0 100 0 - 7.3-8.5 HB2 LYS 66 - QD1 LEU 64 far 0 100 0 - 8.2-8.6 HB2 GLU 104 - QD1 LEU 64 far 0 65 0 - 9.1-24.1 HB2 GLU 88 - QD1 LEU 64 far 0 65 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 10256 from cnoeabs.peaks (0.97, 1.64, 25.26 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: QG2 THR 80 + HG2 LYS 68 OK 100 100 100 100 3.5-3.8 9730=72, 9529/7109=66...(18) 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 4 assignments used, quality = 0.99: QG2 THR 80 + HB3 LYS 68 OK 99 99 100 100 2.4-2.7 9529/7108=89...(22) HB2 ARG 81 - HB3 LYS 68 far 0 63 0 - 8.1-9.7 QG2 THR 80 - HB3 LYS 39 far 0 95 0 - 9.4-11.7 HG LEU 55 - HB3 LYS 68 far 0 100 0 - 9.9-10.5 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 3.7-4.1 10256/2.9=80...(18) QG1 VAL 83 - HB2 LYS 90 far 0 47 0 - 6.9-7.3 QG2 VAL 83 - HB2 LYS 90 far 0 55 0 - 7.8-8.1 QG1 VAL 83 - HB3 LYS 90 far 0 79 0 - 8.0-8.3 QG2 VAL 5 - HB3 LYS 90 far 0 60 0 - 8.7-9.3 QG2 VAL 83 - HB3 LYS 90 far 0 89 0 - 8.7-9.0 QG2 VAL 5 - HB2 LYS 90 far 0 34 0 - 9.2-9.9 QG2 THR 80 - HB3 LYS 39 far 0 73 0 - 9.4-11.7 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 4 assignments used, quality = 0.98: QG2 THR 80 + HA LYS 68 OK 98 99 100 100 2.8-3.5 9529/2.9=63, 9732/4.9=47...(19) QG2 VAL 5 - HA ARG 19 far 0 87 0 - 6.2-7.0 HB2 ARG 81 - HA LYS 68 far 0 63 0 - 9.6-11.3 QG2 VAL 83 - HA ARG 19 far 0 99 0 - 9.8-10.2 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 5 assignments used, quality = 1.00: QG2 THR 80 + HD2 LYS 68 OK 100 100 100 100 3.7-5.4 10762/10264=94...(20) QG2 THR 80 + HD3 LYS 68 OK 100 100 100 100 3.2-5.1 10256/3.0=86...(19) QG2 VAL 5 - HD2 LYS 94 far 0 29 0 - 9.1-9.9 QG1 VAL 83 - HD2 LYS 94 far 0 40 0 - 9.3-12.0 QG2 VAL 83 - HD3 LYS 68 far 0 92 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 10263 from cnoeabs.peaks (0.84, 1.65, 29.52 ppm; 4.35 A increased from 3.48 A): 5 out of 34 assignments used, quality = 0.97: QD2 LEU 64 + HD2 LYS 68 OK 63 85 75 98 2.8-5.3 12320/3.0=46, 10242=40...(26) QD2 LEU 70 + HD2 LYS 39 OK 56 69 100 81 2.1-4.4 10569/3.0=28...(11) QD2 LEU 70 + HD3 LYS 39 OK 51 63 100 80 3.3-4.5 10569/3.0=28...(10) QD2 LEU 64 + HD3 LYS 68 OK 50 85 60 98 3.1-5.3 12320/3.0=46...(26) QD1 LEU 70 + HD2 LYS 39 OK 25 82 35 87 3.8-5.6 ~10569=42, ~8958=21...(14) QD1 LEU 70 - HD3 LYS 39 far 0 76 0 - 5.3-6.2 QD1 LEU 38 - HD2 LYS 39 far 0 80 0 - 5.6-6.9 QG2 ILE 15 - HD3 LYS 20 far 0 34 0 - 5.7-8.3 QG2 ILE 15 - HD2 LYS 20 far 0 30 0 - 6.1-7.2 QD1 ILE 76 - HD2 LYS 39 far 0 56 0 - 6.3-8.1 QD1 ILE 76 - HD3 LYS 39 far 0 51 0 - 6.3-7.4 QD1 LEU 38 - HD3 LYS 39 far 0 74 0 - 6.5-7.3 QD2 LEU 2 - HD3 LYS 47 far 0 30 0 - 6.7-9.8 QD1 ILE 76 - HD2 LYS 47 far 0 24 0 - 6.7-9.6 QD1 ILE 76 - HD3 LYS 47 far 0 23 0 - 7.0-9.0 QD2 LEU 2 - HD2 LYS 47 far 0 32 0 - 7.3-10.7 QD2 LEU 38 - HD2 LYS 39 far 0 90 0 - 7.6-8.6 QG2 ILE 7 - HD3 LYS 20 far 0 23 0 - 7.9-10.5 QD1 LEU 70 - HD2 LYS 68 far 0 90 0 - 8.3-9.0 QG2 ILE 7 - HD2 LYS 20 far 0 20 0 - 8.3-9.6 QD1 LEU 70 - HD3 LYS 68 far 0 89 0 - 8.4-9.1 QD1 LEU 38 - HD3 LYS 68 far 0 88 0 - 8.4-9.6 QD1 LEU 38 - HD2 LYS 68 far 0 88 0 - 8.6-9.7 QG2 VAL 32 - HD2 LYS 39 far 0 95 0 - 8.7-9.1 QD2 LEU 38 - HD3 LYS 39 far 0 83 0 - 8.7-9.3 QD2 LEU 38 - HD3 LYS 68 far 0 96 0 - 9.2-10.5 QD1 LEU 57 - HD2 LYS 94 far 0 54 0 - 9.3-11.6 QD2 LEU 38 - HD2 LYS 68 far 0 96 0 - 9.3-10.8 QD1 LEU 57 - HD3 LYS 68 far 0 99 0 - 9.5-11.4 QD2 LEU 70 - HD3 LYS 68 far 0 77 0 - 9.5-10.2 QD2 LEU 70 - HD2 LYS 68 far 0 77 0 - 9.6-10.0 QD1 LEU 103 - HD2 LYS 94 far 0 40 0 - 9.6-21.1 QG2 VAL 32 - HD3 LYS 39 far 0 89 0 - 9.7-9.9 QD1 LEU 57 - HD2 LYS 68 far 0 99 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 10264 from cnoeabs.peaks (0.75, 1.65, 29.52 ppm; 3.59 A): 1 out of 54 assignments used, quality = 0.37: QD1 LEU 64 + HD2 LYS 68 OK 37 100 40 93 3.4-5.5 2.1/10242=33, ~12320=23...(24) QD1 LEU 64 - HD3 LYS 68 far 15 100 15 - 3.1-5.1 QG2 VAL 78 - HD3 LYS 68 far 0 85 0 - 5.9-7.5 QG2 ILE 93 - HD2 LYS 94 far 0 56 0 - 5.9-6.7 QG2 VAL 78 - HD2 LYS 68 far 0 85 0 - 6.0-7.6 QD1 ILE 93 - HD2 LYS 94 far 0 44 0 - 6.0-8.0 QD1 ILE 56 - HD3 LYS 68 far 0 59 0 - 6.1-7.6 QG1 VAL 58 - HD3 LYS 68 far 0 84 0 - 6.2-8.4 QG1 VAL 58 - HD2 LYS 68 far 0 84 0 - 6.2-8.5 QD1 ILE 93 - HD3 LYS 20 far 0 39 0 - 6.4-8.7 QD1 ILE 56 - HD2 LYS 68 far 0 59 0 - 6.5-7.7 QD1 ILE 93 - HD2 LYS 20 far 0 34 0 - 6.7-8.6 QD1 LEU 27 - HD2 LYS 94 far 0 45 0 - 6.9-8.8 QD2 LEU 42 - HD2 LYS 39 far 0 84 0 - 6.9-8.3 QG2 ILE 52 - HD2 LYS 47 far 0 29 0 - 7.0-8.9 QG2 ILE 52 - HD3 LYS 47 far 0 28 0 - 7.1-8.9 QD2 LEU 42 - HD3 LYS 39 far 0 78 0 - 7.4-8.1 HG13 ILE 93 - HD2 LYS 94 far 0 56 0 - 7.6-9.6 QD1 ILE 56 - HD2 LYS 39 far 0 53 0 - 8.1-9.9 QG2 ILE 93 - HD3 LYS 20 far 0 49 0 - 8.1-10.0 QD1 ILE 8 - HD2 LYS 68 far 0 63 0 - 8.2-10.1 QD1 ILE 8 - HD3 LYS 68 far 0 63 0 - 8.2-10.1 QD1 ILE 15 - HD2 LYS 20 far 0 41 0 - 8.3-9.4 QG1 VAL 78 - HD3 LYS 68 far 0 100 0 - 8.3-9.9 QD1 ILE 15 - HD3 LYS 20 far 0 46 0 - 8.3-10.5 QD2 LEU 14 - HD2 LYS 20 far 0 21 0 - 8.4-10.0 QD2 LEU 27 - HD2 LYS 94 far 0 49 0 - 8.5-10.9 QG2 ILE 93 - HD2 LYS 20 far 0 44 0 - 8.5-10.1 QG1 VAL 78 - HD2 LYS 68 far 0 100 0 - 8.5-10.1 QD1 LEU 6 - HD2 LYS 39 far 0 79 0 - 8.5-9.3 QD2 LEU 14 - HD3 LYS 20 far 0 24 0 - 8.7-10.9 QD2 LEU 42 - HD2 LYS 47 far 0 40 0 - 8.8-10.5 QG1 VAL 78 - HD2 LYS 39 far 0 96 0 - 8.8-10.8 QD2 LEU 42 - HD3 LYS 47 far 0 38 0 - 8.9-9.9 HG13 ILE 15 - HD2 LYS 20 far 0 43 0 - 9.1-10.6 QD1 ILE 56 - HD3 LYS 39 far 0 48 0 - 9.1-10.0 QG2 VAL 78 - HD2 LYS 39 far 0 78 0 - 9.2-11.3 QD1 ILE 8 - HD2 LYS 39 far 0 56 0 - 9.2-10.4 QD1 LEU 6 - HD3 LYS 39 far 0 73 0 - 9.2-9.7 HG13 ILE 56 - HD3 LYS 68 far 0 73 0 - 9.3-11.3 HG13 ILE 15 - HD3 LYS 20 far 0 48 0 - 9.5-11.9 HG3 ARG 81 - HD2 LYS 68 far 0 100 0 - 9.5-11.6 QG1 VAL 78 - HD3 LYS 39 far 0 90 0 - 9.5-10.5 HG3 ARG 81 - HD3 LYS 68 far 0 100 0 - 9.6-11.9 QG1 VAL 5 - HD2 LYS 94 far 0 46 0 - 9.6-10.8 QD2 LEU 42 - HD3 LYS 68 far 0 92 0 - 9.7-10.8 HG13 ILE 56 - HD2 LYS 68 far 0 73 0 - 9.7-11.3 QG1 VAL 5 - HD3 LYS 20 far 0 41 0 - 9.7-11.8 QD2 LEU 42 - HD2 LYS 68 far 0 92 0 - 9.8-10.8 QG2 VAL 78 - HD3 LYS 39 far 0 71 0 - 9.9-11.0 QG1 VAL 5 - HD2 LYS 20 far 0 36 0 - 9.9-11.6 QG1 VAL 54 - HD3 LYS 47 far 0 41 0 - 9.9-11.7 QD1 LEU 6 - HD3 LYS 47 far 0 35 0 - 9.9-11.2 QG1 VAL 54 - HD3 LYS 68 far 0 96 0 - 10.0-11.8 Violated in 16 structures by 0.82 A. Peak 10265 from cnoeabs.peaks (0.75, 2.91, 41.80 ppm; 5.31 A increased from 4.47 A): 2 out of 50 assignments used, quality = 0.97: QD1 LEU 64 + HE2 LYS 68 OK 89 99 90 100 3.1-5.8 10264/3.0=94, 9484=52...(28) QD1 LEU 64 + HE3 LYS 68 OK 69 99 70 100 2.4-5.9 10264/3.0=94...(28) QG2 VAL 78 - HE2 LYS 68 far 4 79 5 - 5.5-8.1 QG1 VAL 58 - HE3 LYS 68 far 4 77 5 - 5.5-8.7 QD1 ILE 93 - HE3 LYS 90 far 0 53 0 - 5.7-6.7 QG2 VAL 78 - HE3 LYS 68 far 0 79 0 - 5.8-7.9 QG2 ILE 93 - HE3 LYS 94 far 0 100 0 - 6.0-8.2 QD1 ILE 93 - HE2 LYS 20 far 0 92 0 - 6.5-9.4 QG2 ILE 93 - HE2 LYS 94 far 0 96 0 - 6.6-8.3 QG1 VAL 58 - HE2 LYS 68 far 0 77 0 - 6.7-8.8 QD1 LEU 27 - HE3 LYS 94 far 0 94 0 - 6.9-10.1 QD1 ILE 93 - HE3 LYS 20 far 0 92 0 - 6.9-9.1 QD1 ILE 93 - HE3 LYS 94 far 0 93 0 - 7.4-9.5 QD1 LEU 27 - HE2 LYS 94 far 0 87 0 - 7.4-10.4 QD1 ILE 93 - HE2 LYS 94 far 0 86 0 - 7.6-9.8 QG2 ILE 93 - HE3 LYS 90 far 0 63 0 - 7.6-8.6 QG1 VAL 58 - HE3 LYS 66 far 0 74 0 - 7.6-9.8 QD1 ILE 15 - HE2 LYS 20 far 0 99 0 - 7.8-11.3 QD1 LEU 64 - HE3 LYS 66 far 0 98 0 - 8.0-10.9 QG1 VAL 78 - HE2 LYS 68 far 0 100 0 - 8.1-10.6 QG1 VAL 78 - HE3 LYS 68 far 0 100 0 - 8.1-10.3 HG13 ILE 93 - HE3 LYS 94 far 0 99 0 - 8.2-10.8 QG1 VAL 58 - HE2 LYS 66 far 0 68 0 - 8.2-9.9 QG2 ILE 93 - HE2 LYS 20 far 0 100 0 - 8.3-10.5 QD2 LEU 27 - HE3 LYS 94 far 0 90 0 - 8.3-12.0 QG2 ILE 93 - HE3 LYS 20 far 0 100 0 - 8.3-10.6 HG13 ILE 93 - HE3 LYS 90 far 0 61 0 - 8.4-9.9 HG3 ARG 81 - HE2 LYS 68 far 0 98 0 - 8.6-12.0 QD2 LEU 27 - HE2 LYS 94 far 0 83 0 - 8.7-12.5 HG13 ILE 56 - HE3 LYS 68 far 0 65 0 - 8.7-11.8 HG3 ARG 81 - HE3 LYS 68 far 0 99 0 - 8.8-13.1 QG2 ILE 8 - HE2 LYS 66 far 0 57 0 - 9.0-10.9 QG2 ILE 8 - HE3 LYS 66 far 0 63 0 - 9.0-10.7 QD1 ILE 15 - HE3 LYS 20 far 0 98 0 - 9.0-11.8 HG13 ILE 93 - HE2 LYS 94 far 0 94 0 - 9.1-11.4 HG13 ILE 15 - HE2 LYS 20 far 0 100 0 - 9.1-12.9 QD1 LEU 64 - HE2 LYS 66 far 0 92 0 - 9.2-10.8 QG2 ILE 8 - HE3 LYS 68 far 0 65 0 - 9.3-12.4 HG13 ILE 56 - HE2 LYS 68 far 0 65 0 - 9.3-12.4 QG2 VAL 78 - HE2 LYS 66 far 0 70 0 - 9.4-11.8 QD2 LEU 42 - HE3 LYS 68 far 0 96 0 - 9.5-11.1 QD2 LEU 42 - HE2 LYS 66 far 0 87 0 - 9.5-12.7 QG2 VAL 78 - HE3 LYS 66 far 0 76 0 - 9.5-12.2 QG1 VAL 5 - HE2 LYS 20 far 0 86 0 - 9.6-12.5 QG1 VAL 54 - HE3 LYS 68 far 0 99 0 - 9.6-12.2 QD2 LEU 42 - HE2 LYS 68 far 0 95 0 - 9.6-11.6 QG1 VAL 54 - HE2 LYS 68 far 0 98 0 - 9.7-12.7 QD2 LEU 42 - HE3 LYS 66 far 0 93 0 - 9.8-12.8 QD1 LEU 6 - HE3 LYS 68 far 0 92 0 - 9.9-12.4 QG1 VAL 5 - HE3 LYS 90 far 0 48 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 10266 from cnoeabs.peaks (4.28, 1.65, 29.52 ppm; 4.19 A increased from 3.94 A): 3 out of 6 assignments used, quality = 0.97: HA ASP 65 + HD2 LYS 68 OK 76 77 100 98 2.0-4.3 10562/3.0=44...(22) HA ASP 65 + HD3 LYS 68 OK 75 77 100 98 2.3-4.4 10562/3.0=44...(21) HA ASP 36 + HD2 LYS 39 OK 48 95 55 92 4.0-5.9 10537/3.6=61...(7) HA ASP 36 - HD3 LYS 39 far 0 89 0 - 5.7-6.6 HA SER 49 - HD2 LYS 47 far 0 23 0 - 7.9-10.5 HA SER 49 - HD3 LYS 47 far 0 21 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 10267 from cnoeabs.peaks (4.30, 1.35, 25.26 ppm; 5.01 A): 1 out of 2 assignments used, quality = 0.99: HA ASP 65 + HG3 LYS 68 OK 99 99 100 100 3.1-3.4 9502=98, 10268/1.8=76...(17) HA ASP 36 - HG2 LYS 39 far 0 60 0 - 5.7-6.4 Violated in 0 structures by 0.00 A. Peak 10268 from cnoeabs.peaks (4.30, 1.64, 25.26 ppm; 5.20 A): 1 out of 1 assignment used, quality = 0.99: HA ASP 65 + HG2 LYS 68 OK 99 99 100 100 2.0-2.3 9502/1.8=93...(19) Violated in 0 structures by 0.00 A. Peak 10269 from cnoeabs.peaks (3.19, 3.81, 59.95 ppm; 4.93 A): 2 out of 3 assignments used, quality = 1.00: HD2 ARG 19 + HA ARG 19 OK 96 96 100 100 3.1-4.8 3.0/782=86, 3.0/809=83...(23) HD3 ARG 19 + HA ARG 19 OK 96 96 100 100 3.4-4.6 3.0/782=86, 3.0/809=83...(23) HB2 ASP 77 - HA LYS 68 far 0 95 0 - 9.7-10.4 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 6 assignments used, quality = 1.00: HA ASP 65 + HE3 LYS 68 OK 98 98 100 99 2.0-5.0 9502/3.6=65...(25) HA ASP 65 + HE2 LYS 68 OK 97 98 100 99 2.1-5.0 9502/3.6=65...(23) HA ASP 65 - HE3 LYS 66 poor 19 96 20 - 4.4-8.5 HA ASP 65 - HE2 LYS 66 far 0 91 0 - 5.7-8.3 HA ASP 36 - HE2 LYS 66 far 0 91 0 - 8.7-13.2 HA ASP 36 - HE3 LYS 66 far 0 96 0 - 9.1-13.2 Violated in 0 structures by 0.00 A. Peak 10271 from cnoeabs.peaks (0.73, 0.89, 27.84 ppm; 4.19 A): 2 out of 13 assignments used, quality = 0.96: QD2 LEU 14 + HG13 ILE 7 OK 93 93 100 100 2.6-3.0 10272/2.1=87...(17) HG13 ILE 15 + HG13 ILE 7 OK 49 82 60 99 3.4-4.5 10118=51, 8470/2.1=47...(14) QD1 ILE 15 - HG13 ILE 7 far 0 73 0 - 4.7-5.7 QG1 VAL 5 - HG13 ILE 7 far 0 100 0 - 4.9-5.9 QG1 VAL 58 - HG13 ILE 7 far 0 100 0 - 5.9-7.5 QD1 ILE 8 - HG13 ILE 7 far 0 94 0 - 5.9-7.6 HG13 ILE 93 - HG13 ILE 7 far 0 96 0 - 6.6-8.4 QG2 ILE 93 - HG13 ILE 7 far 0 88 0 - 7.3-9.1 QG1 VAL 54 - HG13 ILE 7 far 0 70 0 - 8.9-9.3 HG3 ARG 81 - HG13 ILE 7 far 0 98 0 - 9.0-12.0 QD1 ILE 56 - HG13 ILE 7 far 0 92 0 - 9.1-10.1 HG13 ILE 56 - HG13 ILE 7 far 0 98 0 - 9.1-10.0 QD1 LEU 64 - HG13 ILE 7 far 0 97 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 10272 from cnoeabs.peaks (0.71, 0.62, 13.69 ppm; 3.12 A): 1 out of 13 assignments used, quality = 0.97: QD2 LEU 14 + QD1 ILE 7 OK 97 100 100 97 1.8-1.9 12015/2.1=49...(16) QD1 LEU 14 - QD1 ILE 7 far 3 65 5 - 3.4-4.0 QG1 VAL 5 - QD1 ILE 7 far 0 98 0 - 4.3-5.4 QD1 ILE 8 - QD1 ILE 7 far 0 100 0 - 5.3-6.8 QG1 VAL 58 - QD1 ILE 7 far 0 100 0 - 5.4-6.7 HG13 ILE 93 - QD1 ILE 7 far 0 77 0 - 5.4-7.5 QG2 ILE 93 - QD1 ILE 7 far 0 63 0 - 6.2-7.8 QD2 LEU 6 - QD1 ILE 7 far 0 82 0 - 6.2-6.8 QG2 VAL 58 - QD1 ILE 7 far 0 61 0 - 6.4-7.4 HG3 ARG 81 - QD1 ILE 7 far 0 84 0 - 8.0-10.8 QD1 ILE 56 - QD1 ILE 7 far 0 100 0 - 8.2-9.1 QD1 LEU 64 - QD1 ILE 7 far 0 81 0 - 8.3-9.2 HG13 ILE 56 - QD1 ILE 7 far 0 100 0 - 8.4-9.2 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 12 assignments used, quality = 0.99: QD2 LEU 14 + HG12 ILE 7 OK 99 99 100 100 2.8-3.5 12015=99, 10272/2.1=81...(15) QG1 VAL 5 - HG12 ILE 7 far 0 99 0 - 4.5-4.8 HG13 ILE 15 - HG12 ILE 7 far 0 65 0 - 4.9-5.8 QG1 VAL 58 - HG12 ILE 7 far 0 100 0 - 5.9-6.3 HG13 ILE 93 - HG12 ILE 7 far 0 85 0 - 6.2-6.8 QD1 ILE 8 - HG12 ILE 7 far 0 99 0 - 6.3-6.7 QD2 LEU 6 - HG12 ILE 7 far 0 73 0 - 7.1-7.3 QG2 ILE 93 - HG12 ILE 7 far 0 73 0 - 7.4-7.9 HG3 ARG 81 - HG12 ILE 7 far 0 91 0 - 7.8-10.8 HG13 ILE 56 - HG12 ILE 7 far 0 100 0 - 8.6-8.9 QD1 LEU 64 - HG12 ILE 7 far 0 88 0 - 8.7-9.2 QD1 ILE 56 - HG12 ILE 7 far 0 99 0 - 8.8-9.0 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 8 assignments used, quality = 0.99: QE MET 74 + HB3 LEU 70 OK 99 99 100 99 3.0-4.1 9605/10404=83...(8) HB2 LYS 73 + HB3 LEU 70 OK 41 65 65 96 4.4-6.5 4.1/10809=50, ~10395=45...(9) HB3 MET 74 - HB3 LEU 70 poor 19 75 40 64 4.8-6.2 10342/9544=29...(4) HB3 LYS 73 - HB3 LEU 70 far 0 63 0 - 6.0-7.3 HB2 GLU 35 - HB3 LEU 70 far 0 97 0 - 7.4-8.0 HB2 ARG 46 - HB3 LEU 70 far 0 93 0 - 8.9-11.7 HB2 GLU 37 - HB3 LEU 70 far 0 96 0 - 9.3-10.4 HB3 ARG 46 - HB3 LEU 70 far 0 70 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 10275 from cnoeabs.peaks (2.11, 1.72, 41.70 ppm; 6.15 A increased from 4.92 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLU 69 + HB3 LEU 70 OK 98 98 100 100 5.8-6.0 10277/1.8=99...(8) HB3 GLU 69 + HB3 LEU 70 OK 97 98 100 100 5.8-6.2 4.6/3142=87, ~10277=85...(9) HB3 GLU 35 - HB3 LEU 70 far 0 71 0 - 6.7-7.9 HG2 GLU 69 - HB3 LEU 70 far 0 98 0 - 8.0-8.2 HB3 GLU 37 - HB3 LEU 70 far 0 98 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 10276 from cnoeabs.peaks (2.00, 1.37, 41.70 ppm; 5.46 A increased from 5.14 A): 1 out of 5 assignments used, quality = 0.98: QE MET 74 + HB2 LEU 70 OK 98 100 100 98 4.3-5.2 9605/9543=77...(7) HB3 MET 74 - HB2 LEU 70 far 3 65 5 - 5.7-7.1 HB2 GLU 35 - HB2 LEU 70 far 0 99 0 - 7.7-8.1 HB2 GLU 37 - HB2 LEU 70 far 0 91 0 - 9.2-10.4 HB2 ARG 46 - HB2 LEU 70 far 0 87 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 10277 from cnoeabs.peaks (2.12, 1.37, 41.70 ppm; 4.94 A): 1 out of 5 assignments used, quality = 0.97: HB2 GLU 69 + HB2 LEU 70 OK 97 99 100 98 4.6-5.0 4.6/3133=66...(12) HB3 GLU 69 - HB2 LEU 70 far 10 99 10 - 5.2-5.5 HB3 GLU 35 - HB2 LEU 70 far 0 63 0 - 6.5-7.5 HG2 GLU 69 - HB2 LEU 70 far 0 99 0 - 6.8-7.2 HB3 GLU 37 - HB2 LEU 70 far 0 99 0 - 10.0-11.3 Violated in 3 structures by 0.01 A. Peak 10278 from cnoeabs.peaks (2.09, 0.81, 24.20 ppm; 4.03 A): 2 out of 15 assignments used, quality = 0.67: HB VAL 83 + QD1 LEU 57 OK 47 47 100 100 3.4-4.1 2.1/9808=91, 9804=81...(22) HB3 GLU 88 + QD1 LEU 57 OK 38 54 85 83 3.8-4.5 4.3/9926=38...(8) HB3 GLU 35 - QD2 LEU 70 far 15 99 15 - 4.2-5.4 HB3 LEU 38 - QD2 LEU 70 far 5 94 5 - 4.1-6.4 HB3 GLU 69 - QD2 LEU 70 far 0 65 0 - 4.5-5.1 HB2 GLU 69 - QD2 LEU 70 far 0 65 0 - 4.7-5.3 HB2 MET 74 - QD2 LEU 70 far 0 81 0 - 6.3-7.5 HG2 GLU 69 - QD2 LEU 70 far 0 65 0 - 6.4-7.1 QE MET 21 - QD1 LEU 57 far 0 57 0 - 7.5-8.1 HB2 PRO 86 - QD1 LEU 57 far 0 39 0 - 7.8-8.8 HB3 PRO 86 - QD1 LEU 57 far 0 53 0 - 8.0-9.0 HG3 GLU 37 - QD2 LEU 70 far 0 93 0 - 8.2-10.4 HB2 LEU 64 - QD1 LEU 57 far 0 47 0 - 8.3-8.6 HB3 GLU 37 - QD2 LEU 70 far 0 68 0 - 8.3-9.7 HB3 GLU 43 - QD2 LEU 70 far 0 84 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 10279 from cnoeabs.peaks (2.07, 3.85, 55.14 ppm; 4.25 A): 3 out of 12 assignments used, quality = 0.74: HB2 MET 74 + HA ALA 71 OK 40 100 40 99 4.0-5.0 2.9/9551=57...(12) QE MET 21 + HA ALA 22 OK 38 39 100 98 3.5-3.8 6351/3.0=48...(15) HG12 ILE 93 + HA ALA 22 OK 31 40 80 97 4.2-4.9 ~10327=53, 3.2/10028=39...(11) HB3 LEU 38 - HA ALA 67 far 8 79 10 - 4.1-5.5 HB2 MET 21 - HA ALA 22 far 0 53 0 - 4.8-5.0 HB3 GLU 35 - HA ALA 67 far 0 75 0 - 6.4-7.3 HB2 GLU 23 - HA ALA 22 far 0 51 0 - 6.6-6.6 HB3 LEU 38 - HA ALA 71 far 0 100 0 - 6.9-9.4 HG3 GLU 28 - HA ALA 22 far 0 60 0 - 8.9-10.4 HG2 GLU 28 - HA ALA 22 far 0 60 0 - 9.0-10.7 HB3 GLU 43 - HA ALA 71 far 0 100 0 - 9.5-10.2 HB2 MET 74 - HA ALA 67 far 0 79 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 10280 from cnoeabs.peaks (2.32, 2.00, 17.28 ppm; 4.06 A increased from 3.61 A): 1 out of 5 assignments used, quality = 0.93: HG3 GLU 43 + QE MET 74 OK 93 100 100 93 2.8-3.9 6696/12303=61...(9) HB2 TYR 41 - QE MET 74 far 0 100 0 - 6.8-7.1 HG3 GLU 44 - QE MET 74 far 0 70 0 - 8.6-9.3 HG3 GLU 69 - QE MET 74 far 0 91 0 - 9.4-10.5 HB2 TYR 4 - QE MET 74 far 0 81 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 10282 from cnoeabs.peaks (4.03, 2.00, 17.28 ppm; 5.41 A increased from 4.81 A): 1 out of 4 assignments used, quality = 0.97: HA LEU 70 + QE MET 74 OK 97 99 100 98 4.3-5.4 3.0/10276=69...(8) HA GLU 75 - QE MET 74 far 0 79 0 - 7.2-7.8 HA GLU 69 - QE MET 74 far 0 68 0 - 7.7-9.0 HB2 SER 49 - QE MET 74 far 0 81 0 - 7.9-9.2 Violated in 3 structures by 0.00 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 3.3-3.4 1.8/10286=69...(24) HG3 ARG 46 + QD1 ILE 76 OK 82 82 100 100 1.9-3.9 9021=54, 1.8/9023=51...(29) HG2 ARG 46 + QD1 ILE 76 OK 44 99 45 100 2.4-4.4 1.8/9021=61, 9023=53...(26) HB VAL 78 - QD1 ILE 76 far 0 70 0 - 5.7-6.1 HB2 LYS 39 - QD1 ILE 76 far 0 96 0 - 6.7-7.4 HB2 LYS 53 - QD1 ILE 76 far 0 82 0 - 8.2-9.3 HB2 LYS 68 - QD1 ILE 76 far 0 87 0 - 8.5-9.2 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 17 assignments used, quality = 1.00: HG2 ARG 46 + HG13 ILE 76 OK 100 100 100 100 2.0-4.8 9023/2.1=72...(28) HB VAL 5 + HG LEU 29 OK 54 54 100 100 2.3-3.3 8671/2.1=76, ~10500=57...(17) HB3 LYS 66 - HG LEU 38 far 0 34 0 - 5.4-6.2 HB3 LYS 39 - HG LEU 38 far 0 33 0 - 6.0-7.4 HB2 LYS 39 - HG LEU 38 far 0 38 0 - 6.0-7.2 HB2 LEU 42 - HG13 ILE 76 far 0 91 0 - 6.1-6.4 HB2 LYS 90 - HG3 ARG 91 far 0 82 0 - 6.2-6.8 HB3 LEU 57 - HG LEU 29 far 0 85 0 - 6.6-7.3 HB3 LYS 90 - HG3 ARG 91 far 0 89 0 - 6.7-7.6 HB2 LEU 42 - HG LEU 38 far 0 47 0 - 6.8-7.3 HB2 GLU 88 - HG3 ARG 91 far 0 79 0 - 7.0-8.6 HB ILE 93 - HG3 ARG 91 far 0 71 0 - 7.3-8.1 HB ILE 93 - HG LEU 29 far 0 66 0 - 7.7-8.6 HB2 LYS 68 - HG LEU 38 far 0 55 0 - 8.8-9.7 HB3 LEU 57 - HG LEU 38 far 0 57 0 - 9.5-10.1 HB3 LYS 39 - HG13 ILE 76 far 0 70 0 - 9.6-10.9 HB2 LYS 53 - HG13 ILE 76 far 0 98 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 10285 from cnoeabs.peaks (1.29, 1.44, 26.75 ppm; 4.84 A increased from 4.30 A): 1 out of 5 assignments used, quality = 0.96: HB3 LEU 42 + HG13 ILE 76 OK 96 96 100 100 4.5-4.7 10883/3.2=65...(22) HG2 ARG 30 - HG LEU 29 far 0 84 0 - 5.6-6.8 HB3 LEU 42 - HG LEU 38 far 0 52 0 - 7.7-8.1 HG2 LYS 90 - HG3 ARG 91 far 0 90 0 - 8.5-8.9 HG2 LYS 90 - HG LEU 29 far 0 85 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 10286 from cnoeabs.peaks (1.32, 0.80, 13.65 ppm; 3.99 A): 1 out of 7 assignments used, quality = 0.94: HB3 LEU 42 + QD1 ILE 76 OK 94 95 100 99 1.9-2.1 3.0/10878=50...(25) HG2 LYS 39 - QD1 ILE 76 far 0 85 0 - 5.0-5.7 QB ALA 67 - QD1 ILE 76 far 0 95 0 - 7.0-7.7 HG3 LYS 40 - QD1 ILE 76 far 0 59 0 - 8.5-9.1 HG3 LYS 68 - QD1 ILE 76 far 0 79 0 - 9.2-10.2 HG2 ARG 30 - QD1 ILE 76 far 0 84 0 - 9.5-11.0 HB3 LEU 2 - QD1 ILE 76 far 0 98 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 10287 from cnoeabs.peaks (0.87, 1.78, 35.29 ppm; 5.04 A increased from 4.74 A): 1 out of 7 assignments used, quality = 0.99: QG2 ILE 76 + HB VAL 78 OK 99 99 100 100 4.4-4.9 10906/2.1=97...(16) QD1 LEU 38 - HB VAL 78 lone 1 97 30 5 5.2-5.7 326/2595=3 HG13 ILE 8 - HB VAL 78 far 0 98 0 - 9.3-11.4 QG1 VAL 32 - HB VAL 78 far 0 71 0 - 9.4-9.8 QD2 LEU 64 - HB VAL 78 far 0 98 0 - 9.6-10.8 QD1 LEU 103 - HB VAL 78 far 0 99 0 - 9.7-17.3 QD1 LEU 2 - HB VAL 78 far 0 99 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 10288 from cnoeabs.peaks (0.98, 1.78, 35.29 ppm; 5.28 A): 1 out of 3 assignments used, quality = 0.96: QG2 THR 80 + HB VAL 78 OK 96 100 100 96 4.3-5.2 12206/9686=56, ~8179=44...(7) HG LEU 55 - HB VAL 78 far 0 93 0 - 6.8-7.2 QG2 VAL 5 - HB VAL 78 far 0 63 0 - 7.1-7.6 Violated in 0 structures by 0.00 A. Peak 10289 from cnoeabs.peaks (1.65, 0.74, 21.24 ppm; 3.64 A): 2 out of 33 assignments used, quality = 0.99: HB ILE 76 + QG1 VAL 78 OK 99 100 100 99 2.3-2.6 2.1/10906=83...(14) HB ILE 76 + QG2 VAL 78 OK 41 68 65 94 3.6-4.1 ~10906=46, ~10287=27...(16) HB3 LEU 6 - QG1 VAL 54 far 4 83 5 - 3.9-4.4 HB3 ARG 79 - QG2 VAL 78 far 0 65 0 - 5.3-5.7 HG2 LYS 68 - QG2 VAL 78 far 0 67 0 - 5.7-6.2 HB ILE 76 - QG1 VAL 54 far 0 83 0 - 5.8-6.5 HD3 LYS 68 - QG2 VAL 78 far 0 67 0 - 5.9-7.5 HD2 LYS 68 - QG2 VAL 78 far 0 66 0 - 6.0-7.6 HB3 ARG 79 - QG1 VAL 54 far 0 81 0 - 6.1-7.3 HB3 ARG 79 - QG1 VAL 78 far 0 99 0 - 6.3-6.9 HB ILE 52 - QG1 VAL 78 far 0 85 0 - 6.5-7.7 HB3 LEU 6 - QG1 VAL 78 far 0 100 0 - 6.7-7.2 HB3 LEU 6 - QG2 VAL 78 far 0 67 0 - 6.9-7.6 HB ILE 52 - QG1 VAL 54 far 0 65 0 - 7.4-8.1 HG2 LYS 68 - QG1 VAL 78 far 0 100 0 - 8.0-8.6 HD3 LYS 68 - QG1 VAL 78 far 0 100 0 - 8.3-9.9 HD2 LYS 68 - QG1 VAL 78 far 0 100 0 - 8.5-10.1 HB2 LYS 40 - QG1 VAL 54 far 0 83 0 - 8.7-9.6 HD2 LYS 39 - QG1 VAL 78 far 0 99 0 - 8.8-10.8 HB ILE 52 - QG2 VAL 78 far 0 51 0 - 9.1-10.2 HD2 LYS 73 - QG2 VAL 78 far 0 55 0 - 9.1-10.4 HD2 LYS 73 - QG1 VAL 78 far 0 90 0 - 9.2-11.0 HD2 LYS 39 - QG2 VAL 78 far 0 65 0 - 9.2-11.3 HG3 LYS 47 - QG1 VAL 78 far 0 88 0 - 9.4-11.1 HG3 LYS 47 - QG1 VAL 54 far 0 68 0 - 9.5-11.7 HD3 LYS 39 - QG1 VAL 78 far 0 100 0 - 9.5-10.5 HD3 LYS 73 - QG2 VAL 78 far 0 57 0 - 9.6-10.2 HG2 LYS 68 - QG1 VAL 54 far 0 83 0 - 9.7-10.2 HD3 LYS 73 - QG1 VAL 78 far 0 92 0 - 9.7-11.0 HB3 LYS 40 - QG1 VAL 54 far 0 44 0 - 9.8-10.4 HD3 LYS 39 - QG2 VAL 78 far 0 67 0 - 9.9-11.0 HD3 LYS 47 - QG1 VAL 54 far 0 48 0 - 9.9-11.7 HD3 LYS 68 - QG1 VAL 54 far 0 82 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 26 assignments used, quality = 0.97: QB ALA 71 + QG1 VAL 78 OK 93 99 100 94 1.9-2.4 10835/2.1=37, 9553=36...(16) QB ALA 71 + QG2 VAL 78 OK 61 65 100 94 1.8-1.9 10835/2.1=37, 9553=35...(18) QB ALA 71 - QG1 VAL 54 far 0 80 0 - 4.5-5.0 HG13 ILE 76 - QG1 VAL 78 far 0 96 0 - 4.7-5.0 HG13 ILE 52 - QG1 VAL 78 far 0 63 0 - 5.9-7.4 HG13 ILE 52 - QG1 VAL 54 far 0 46 0 - 5.9-6.9 HG LEU 29 - QG1 VAL 54 far 0 76 0 - 6.0-7.0 HG LEU 38 - QG1 VAL 54 far 0 43 0 - 6.1-6.8 HG13 ILE 76 - QG2 VAL 78 far 0 61 0 - 6.1-6.7 HG LEU 38 - QG2 VAL 78 far 0 33 0 - 6.1-6.7 HG LEU 38 - QG1 VAL 78 far 0 59 0 - 6.6-7.3 QB ALA 22 - QG1 VAL 54 far 0 76 0 - 7.0-7.8 HB2 LEU 38 - QG1 VAL 54 far 0 49 0 - 7.1-7.6 HB2 LEU 38 - QG2 VAL 78 far 0 38 0 - 7.4-8.4 HD2 LYS 53 - QG1 VAL 78 far 0 59 0 - 7.4-8.6 HB2 LEU 38 - QG1 VAL 78 far 0 68 0 - 7.4-8.3 HB2 LEU 27 - QG1 VAL 54 far 0 46 0 - 7.4-8.5 HG13 ILE 76 - QG1 VAL 54 far 0 76 0 - 7.4-8.0 HG3 LYS 39 - QG1 VAL 78 far 0 91 0 - 8.1-9.7 HG12 ILE 7 - QG1 VAL 54 far 0 83 0 - 8.1-8.7 HG3 LYS 39 - QG2 VAL 78 far 0 56 0 - 8.3-10.6 HD2 LYS 53 - QG1 VAL 54 far 0 43 0 - 8.3-9.1 HD2 LYS 53 - QG2 VAL 78 far 0 33 0 - 8.3-9.8 HG13 ILE 52 - QG2 VAL 78 far 0 36 0 - 8.4-9.9 HG3 LYS 39 - QG1 VAL 54 far 0 70 0 - 9.3-10.4 HG LEU 29 - QG1 VAL 78 far 0 96 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 10291 from cnoeabs.peaks (1.64, 0.72, 21.10 ppm; 3.67 A): 2 out of 35 assignments used, quality = 0.90: HB ILE 76 + QG2 VAL 78 OK 72 100 75 97 3.6-4.1 ~10906=47, 9646=34...(16) HB ILE 76 + QG1 VAL 78 OK 62 67 100 93 2.3-2.6 2.1/10906=37...(12) HB2 ARG 79 - QG2 VAL 78 far 0 57 0 - 4.9-5.3 HB3 LEU 6 - QG1 VAL 5 far 0 74 0 - 4.9-5.3 HB3 ARG 79 - QG2 VAL 78 far 0 97 0 - 5.3-5.7 HG2 LYS 68 - QG2 VAL 78 far 0 100 0 - 5.7-6.2 HB2 ARG 79 - QG1 VAL 78 far 0 32 0 - 5.8-6.1 HD3 LYS 68 - QG2 VAL 78 far 0 99 0 - 5.9-7.5 HD2 LYS 68 - QG2 VAL 78 far 0 98 0 - 6.0-7.6 HB3 ARG 79 - QG1 VAL 5 far 0 70 0 - 6.1-8.2 HB3 ARG 79 - QG1 VAL 78 far 0 62 0 - 6.3-6.9 HB2 ARG 30 - QG1 VAL 5 far 0 41 0 - 6.5-6.9 HB ILE 52 - QG1 VAL 78 far 0 45 0 - 6.5-7.7 HB2 ARG 79 - QG1 VAL 5 far 0 37 0 - 6.5-8.4 HB3 LEU 6 - QG1 VAL 78 far 0 66 0 - 6.7-7.2 HB3 LEU 6 - QG2 VAL 78 far 0 99 0 - 6.9-7.6 HG2 LYS 68 - QG1 VAL 78 far 0 68 0 - 8.0-8.6 HD3 LYS 68 - QG1 VAL 78 far 0 64 0 - 8.3-9.9 HD2 LYS 68 - QG1 VAL 78 far 0 64 0 - 8.5-10.1 HD2 LYS 39 - QG1 VAL 78 far 0 62 0 - 8.8-10.8 HB ILE 52 - QG2 VAL 78 far 0 77 0 - 9.1-10.2 HD2 LYS 73 - QG2 VAL 78 far 0 82 0 - 9.1-10.4 HD2 LYS 73 - QG1 VAL 78 far 0 49 0 - 9.2-11.0 HD2 LYS 39 - QG2 VAL 78 far 0 97 0 - 9.2-11.3 HB2 ARG 30 - QG1 VAL 78 far 0 36 0 - 9.2-9.8 HG3 LYS 20 - QG1 VAL 5 far 0 45 0 - 9.3-11.5 HG3 LYS 47 - QG1 VAL 78 far 0 59 0 - 9.4-11.1 HD3 LYS 39 - QG1 VAL 78 far 0 68 0 - 9.5-10.5 HD3 LYS 73 - QG2 VAL 78 far 0 85 0 - 9.6-10.2 HD2 LYS 94 - QG1 VAL 5 far 0 68 0 - 9.6-10.8 HD3 LYS 73 - QG1 VAL 78 far 0 51 0 - 9.7-11.0 HD3 LYS 20 - QG1 VAL 5 far 0 45 0 - 9.7-11.8 HD3 LYS 39 - QG2 VAL 78 far 0 100 0 - 9.9-11.0 HD2 LYS 20 - QG1 VAL 5 far 0 41 0 - 9.9-11.6 HD2 LYS 66 - QG2 VAL 78 far 0 59 0 - 9.9-11.2 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 13 assignments used, quality = 0.99: QB ALA 71 + QG2 VAL 78 OK 95 100 100 95 1.8-1.9 10835/2.1=36, 9553=34...(18) QB ALA 71 + QG1 VAL 78 OK 61 67 100 91 1.9-2.4 10835/2.1=36, 9553=35...(16) HG LEU 29 + QG1 VAL 5 OK 35 64 60 90 2.7-3.8 8675/2.1=26, ~8192=22...(16) QB ALA 22 - QG1 VAL 5 far 0 64 0 - 3.5-4.1 HG12 ILE 7 - QG1 VAL 5 far 0 74 0 - 4.5-4.8 HG13 ILE 76 - QG1 VAL 78 far 0 56 0 - 4.7-5.0 HG13 ILE 76 - QG2 VAL 78 far 0 91 0 - 6.1-6.7 HG3 LYS 39 - QG1 VAL 78 far 0 50 0 - 8.1-9.7 HG3 LYS 94 - QG1 VAL 5 far 0 44 0 - 8.1-9.9 HG3 LYS 39 - QG2 VAL 78 far 0 84 0 - 8.3-10.6 QB ALA 71 - QG1 VAL 5 far 0 75 0 - 8.4-9.0 HG3 ARG 91 - QG1 VAL 5 far 0 41 0 - 9.3-10.3 HG LEU 29 - QG1 VAL 78 far 0 57 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 10293 from cnoeabs.peaks (1.75, 5.33, 59.69 ppm; 3.76 A): 1 out of 8 assignments used, quality = 0.99: HB ILE 56 + HA THR 80 OK 99 99 100 100 2.2-2.7 9302=78, 9729/3.2=60...(22) HB VAL 78 - HA THR 80 far 0 85 0 - 5.0-6.1 HD2 ARG 81 - HA THR 80 far 0 77 0 - 6.2-8.0 HB3 LYS 82 - HA THR 80 far 0 99 0 - 8.3-8.8 HB VAL 78 - HA ILE 52 far 0 53 0 - 8.9-10.2 HB3 GLU 63 - HA THR 80 far 0 88 0 - 9.0-9.5 HB2 GLU 28 - HA ILE 52 far 0 65 0 - 9.4-9.9 HG3 ARG 46 - HA ILE 52 far 0 44 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 10295 from cnoeabs.peaks (10.30, 1.01, 23.61 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: HE1 TRP 92 + QG1 VAL 83 OK 100 100 100 100 2.0-2.3 9998=100, 2.6/9796=77...(21) Violated in 0 structures by 0.00 A. Peak 10296 from cnoeabs.peaks (10.29, 0.96, 21.21 ppm; 5.17 A): 1 out of 1 assignment used, quality = 1.00: HE1 TRP 92 + QG2 VAL 83 OK 100 100 100 100 4.4-4.9 9998/2.1=99, 2.6/9782=85...(18) Violated in 0 structures by 0.00 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 3.2-3.7 9861=57, 7366/9831=56...(11) Violated in 0 structures by 0.00 A. Peak 10299 from cnoeabs.peaks (7.70, 2.08, 30.05 ppm; 4.28 A increased from 3.81 A): 1 out of 3 assignments used, quality = 0.23: H SER 49 + HB3 GLU 48 OK 23 23 100 100 2.5-4.3 4.6=79, 6798/3.0=64...(10) H SER 85 - HB3 GLU 88 far 0 98 0 - 4.6-5.3 HD22 ASN 51 - HB3 GLU 48 far 0 27 0 - 6.7-8.3 Violated in 3 structures by 0.00 A. Peak 10301 from cnoeabs.peaks (7.70, 2.14, 36.78 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.84: H SER 85 + HG2 GLU 88 OK 84 99 85 100 3.8-5.4 10297/3.0=78...(11) Violated in 4 structures by 0.06 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 3.1-3.8 10301/1.8=93...(10) Violated in 0 structures by 0.00 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 2.3-4.8 8599/3886=72...(10) HA ALA 89 - HG2 GLU 88 far 0 100 0 - 6.2-6.5 HA ARG 91 - HG2 GLU 88 far 0 99 0 - 7.6-9.1 Violated in 0 structures by 0.00 A. Peak 10306 from cnoeabs.peaks (3.89, 2.08, 30.05 ppm; 4.61 A increased from 4.10 A): 1 out of 4 assignments used, quality = 1.00: HA ALA 89 + HB3 GLU 88 OK 100 100 100 100 4.1-4.6 3.0/3885=72...(15) HB2 SER 85 - HB3 GLU 88 far 0 99 0 - 5.0-5.8 HA ARG 91 - HB3 GLU 88 far 0 100 0 - 7.2-7.6 HA GLU 43 - HB3 GLU 48 far 0 29 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 10307 from cnoeabs.peaks (3.91, 1.81, 30.05 ppm; 4.53 A): 2 out of 6 assignments used, quality = 1.00: HA ALA 89 + HB2 GLU 88 OK 98 99 100 100 4.0-4.4 3.0/7402=80...(16) HB2 SER 85 + HB2 GLU 88 OK 98 99 100 99 3.7-4.7 8599/7393=61...(9) HB2 SER 102 - HB2 GLU 104 poor 10 81 35 36 3.4-8.5 4.0/10111=30, 7549/7664=7 HA3 GLY 101 - HB2 GLU 104 far 4 79 5 - 3.4-10.7 HA ARG 91 - HB2 GLU 88 far 0 87 0 - 7.8-8.2 HB3 SER 9 - HB2 GLU 88 far 0 97 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 10308 from cnoeabs.peaks (2.08, 1.81, 32.09 ppm; 4.36 A increased from 3.87 A): 2 out of 19 assignments used, quality = 0.85: QE MET 21 + HB3 LYS 90 OK 72 73 100 99 3.7-4.3 8543/3.0=65, 8539/4.1=30...(24) HB2 MET 21 + HB3 LYS 90 OK 45 46 100 99 3.8-4.4 ~3920=33, ~8546=31...(27) HB3 LEU 38 - HB2 LYS 39 far 9 86 10 - 3.8-6.0 QE MET 21 - HB2 LYS 90 far 0 98 0 - 5.0-5.5 HB2 MET 21 - HB2 LYS 90 far 0 68 0 - 5.1-5.6 HB3 PRO 86 - HB2 LYS 90 far 0 93 0 - 5.3-5.8 HB3 GLU 35 - HB2 LYS 39 far 0 90 0 - 5.7-7.4 HB3 PRO 86 - HB3 LYS 90 far 0 68 0 - 6.2-6.8 HB2 PRO 86 - HB2 LYS 90 far 0 70 0 - 6.7-7.3 HB3 GLU 43 - HB2 LYS 39 far 0 78 0 - 6.9-8.3 HB3 GLU 88 - HB2 LYS 90 far 0 99 0 - 7.0-7.3 HG3 GLU 37 - HB2 LYS 39 far 0 74 0 - 7.1-9.2 HB2 LEU 64 - HB2 LYS 68 far 0 47 0 - 7.5-8.2 HB2 PRO 86 - HB3 LYS 90 far 0 47 0 - 7.5-8.2 HB2 MET 74 - HB2 LYS 39 far 0 75 0 - 7.9-9.3 HB VAL 83 - HB2 LYS 90 far 0 82 0 - 8.4-8.7 HB3 GLU 88 - HB3 LYS 90 far 0 76 0 - 8.5-8.8 HB VAL 83 - HB3 LYS 90 far 0 58 0 - 9.8-10.1 HB2 GLU 16 - HB3 LYS 90 far 0 75 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 10309 from cnoeabs.peaks (2.08, 1.83, 32.09 ppm; 4.21 A increased from 3.74 A): 2 out of 23 assignments used, quality = 0.99: QE MET 21 + HB3 LYS 90 OK 96 98 100 98 3.7-4.3 8543/3.0=61, 8539/4.1=27...(24) HB2 MET 21 + HB3 LYS 90 OK 66 68 100 98 3.8-4.4 ~3920=30, 9948/3.0=29...(27) HB3 LEU 38 - HB3 LYS 39 far 3 56 5 - 4.0-6.4 HB3 GLU 35 - HB3 LYS 66 far 2 35 5 - 4.4-5.6 QE MET 21 - HB2 LYS 90 far 0 73 0 - 5.0-5.5 HB2 MET 21 - HB2 LYS 90 far 0 46 0 - 5.1-5.6 HB3 PRO 86 - HB2 LYS 90 far 0 68 0 - 5.3-5.8 HB3 GLU 35 - HB3 LYS 39 far 0 60 0 - 5.8-7.7 HB3 GLU 43 - HB3 LYS 39 far 0 49 0 - 6.1-8.6 HB3 PRO 86 - HB3 LYS 90 far 0 93 0 - 6.2-6.8 HB3 GLU 62 - HB3 LYS 66 far 0 35 0 - 6.2-6.7 HB3 LEU 38 - HB3 LYS 66 far 0 33 0 - 6.2-7.2 HB2 PRO 86 - HB2 LYS 90 far 0 47 0 - 6.7-7.3 HB2 LEU 64 - HB3 LYS 66 far 0 25 0 - 6.7-7.0 HB3 GLU 88 - HB2 LYS 90 far 0 76 0 - 7.0-7.3 HB2 MET 74 - HB3 LYS 39 far 0 47 0 - 7.3-8.9 HB2 LEU 64 - HB2 LYS 68 far 0 79 0 - 7.5-8.2 HB2 PRO 86 - HB3 LYS 90 far 0 70 0 - 7.5-8.2 HG3 GLU 37 - HB3 LYS 39 far 0 46 0 - 7.6-9.8 HB VAL 83 - HB2 LYS 90 far 0 58 0 - 8.4-8.7 HB3 GLU 88 - HB3 LYS 90 far 0 99 0 - 8.5-8.8 HB VAL 83 - HB3 LYS 90 far 0 82 0 - 9.8-10.1 HB2 GLU 16 - HB3 LYS 90 far 0 99 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 10310 from cnoeabs.peaks (2.02, 1.29, 25.29 ppm; 4.51 A): 2 out of 4 assignments used, quality = 0.99: HB3 GLU 17 + HG2 LYS 90 OK 94 94 100 100 3.2-4.2 10433/2.9=71...(23) HB2 MET 21 + HG2 LYS 90 OK 82 84 100 97 3.5-4.2 9948/3915=44...(22) HG12 ILE 93 - HG2 LYS 90 far 0 98 0 - 6.3-7.1 HB3 LYS 94 - HG2 LYS 90 far 0 100 0 - 6.7-8.0 Violated in 0 structures by 0.00 A. Peak 10311 from cnoeabs.peaks (2.08, 1.58, 25.29 ppm; 5.00 A): 5 out of 13 assignments used, quality = 1.00: QE MET 21 + HG3 LYS 90 OK 97 98 100 100 4.5-5.1 8543/3916=68...(20) HB3 PRO 86 + HG3 LYS 90 OK 87 93 95 98 4.8-5.4 9944/7420=55...(14) HB2 MET 21 + HG3 LYS 90 OK 67 68 100 99 3.1-3.7 ~8557=52, 4.0/10441=51...(19) QE MET 21 + HG2 LYS 24 OK 45 74 70 86 4.4-5.5 8540/3.7=49...(6) HB2 GLU 23 + HG2 LYS 24 OK 20 79 35 73 4.9-7.2 4.6/6385=58...(5) HB2 MET 74 - HG3 LYS 73 poor 19 54 35 - 4.7-8.2 HB2 MET 21 - HG2 LYS 24 far 0 46 0 - 5.7-8.4 HB2 PRO 86 - HG3 LYS 90 far 0 70 0 - 5.9-6.7 HB2 GLU 16 - HG3 LYS 12 far 0 71 0 - 6.8-8.4 HB2 GLU 16 - HG3 LYS 90 far 0 99 0 - 7.8-8.6 HB3 LEU 38 - HG3 LYS 73 far 0 64 0 - 9.0-13.4 HB3 GLU 88 - HG3 LYS 90 far 0 99 0 - 9.0-9.4 HB VAL 83 - HG3 LYS 90 far 0 82 0 - 9.8-10.2 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 3.3-4.0 8543=98, 997/3920=69...(22) HB3 PRO 86 - HA LYS 90 far 0 100 0 - 6.5-7.1 HB2 PRO 86 - HA LYS 90 far 0 99 0 - 7.4-8.0 HB3 GLU 88 - HA LYS 90 far 0 75 0 - 7.7-8.0 HG2 GLU 88 - HA LYS 90 far 0 71 0 - 8.6-9.7 HB VAL 83 - HA LYS 90 far 0 100 0 - 8.6-9.0 HB2 GLU 16 - HA LYS 90 far 0 71 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 10313 from cnoeabs.peaks (4.22, 1.68, 29.27 ppm; 5.40 A): 3 out of 15 assignments used, quality = 0.98: HA ASP 87 + HD3 LYS 90 OK 86 86 100 100 2.3-3.4 9908/3.6=89, 9907/3.0=85...(14) HB THR 31 + HG12 ILE 15 OK 78 82 95 100 4.2-6.8 ~8467=81, ~8463=74...(12) HA ASP 87 + HB3 ARG 91 OK 38 100 40 95 5.4-5.9 9963/7443=81...(6) HB3 SER 85 - HD3 LYS 90 far 0 55 0 - 6.3-7.9 HB THR 31 - HD3 LYS 12 far 0 68 0 - 6.9-9.7 HB THR 31 - HD2 LYS 12 far 0 68 0 - 7.4-9.5 HA SER 49 - HD2 LYS 47 far 0 91 0 - 7.9-10.5 HB3 SER 85 - HB3 ARG 91 far 0 71 0 - 8.0-9.4 HA ASP 87 - HD3 LYS 20 far 0 97 0 - 8.7-12.0 HA SER 49 - HD3 LYS 47 far 0 91 0 - 9.0-10.9 HB3 SER 85 - HD3 LYS 13 far 0 30 0 - 9.3-12.1 HB3 SER 85 - HD2 LYS 13 far 0 32 0 - 9.3-11.5 HA ASP 87 - HD2 LYS 20 far 0 99 0 - 9.4-11.8 HA GLU 98 - HD3 LYS 24 far 0 28 0 - 9.6-15.3 HA ASP 87 - HD2 LYS 13 far 0 54 0 - 9.7-12.6 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 3.2-4.4 9907=97, 9906/1.8=69...(13) HA SER 49 - HE2 LYS 53 far 0 81 0 - 7.2-9.9 HA SER 49 - HE3 LYS 53 far 0 74 0 - 7.5-9.8 Violated in 2 structures by 0.00 A. Peak 10315 from cnoeabs.peaks (4.20, 1.70, 29.44 ppm; 4.80 A): 1 out of 6 assignments used, quality = 0.88: HA ASP 87 + HD3 LYS 90 OK 88 88 100 100 2.3-3.4 9908/3981=67...(14) HA ASP 87 - HB3 ARG 91 far 0 70 0 - 5.4-5.9 HB3 SER 85 - HD3 LYS 90 far 0 99 0 - 6.3-7.9 HB3 SER 85 - HB3 ARG 91 far 0 83 0 - 8.0-9.4 HA ASP 87 - HD3 LYS 20 far 0 48 0 - 8.7-12.0 HA ASP 87 - HD2 LYS 20 far 0 53 0 - 9.4-11.8 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 1.9-2.0 9908/3.6=75, 9907/3.0=70...(12) HB3 SER 85 - HD2 LYS 90 far 0 93 0 - 6.3-7.9 Violated in 0 structures by 0.00 A. Peak 10317 from cnoeabs.peaks (4.83, 7.43, 120.39 ppm; 4.47 A): 1 out of 2 assignments used, quality = 0.95: HA TRP 92 + HE3 TRP 92 OK 95 99 100 96 2.3-2.6 4.8=80, 4092/12282=35...(6) HA VAL 83 - HE3 TRP 92 far 0 73 0 - 9.0-9.5 Violated in 0 structures by 0.00 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 3.0-3.8 10319/3.1=59...(17) HB3 PRO 86 - QD1 ILE 93 far 0 98 0 - 6.4-7.3 HB2 PRO 86 - QD1 ILE 93 far 0 100 0 - 6.6-7.5 HB VAL 83 - QD1 ILE 93 far 0 100 0 - 6.7-7.9 HB3 GLU 23 - QD1 ILE 93 far 0 65 0 - 7.0-8.0 HB2 GLU 23 - QD1 ILE 93 far 0 75 0 - 8.0-9.1 HG2 GLU 88 - QD1 ILE 93 far 0 87 0 - 8.0-9.0 Violated in 0 structures by 0.00 A. Peak 10319 from cnoeabs.peaks (2.10, 0.75, 17.00 ppm; 3.91 A): 1 out of 8 assignments used, quality = 1.00: QE MET 21 + QG2 ILE 93 OK 100 100 100 100 1.9-2.7 8552=56, 8536/7508=49...(24) HB2 GLU 23 - QG2 ILE 93 far 0 98 0 - 7.4-7.8 HG3 GLU 28 - QG2 ILE 93 far 0 65 0 - 8.7-10.0 HG2 GLU 28 - QG2 ILE 93 far 0 65 0 - 8.8-10.4 HB3 PRO 86 - QG2 ILE 93 far 0 100 0 - 9.4-9.8 HB3 GLU 88 - QG2 ILE 93 far 0 90 0 - 9.4-9.7 HB2 PRO 86 - QG2 ILE 93 far 0 92 0 - 9.8-10.3 HB VAL 83 - QG2 ILE 93 far 0 98 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 10320 from cnoeabs.peaks (1.34, 0.75, 17.00 ppm; 3.93 A): 1 out of 7 assignments used, quality = 0.99: QB ALA 25 + QG2 ILE 93 OK 99 100 100 99 2.2-2.8 8551/10319=47, 8621=44...(16) HB3 LEU 27 - QG2 ILE 93 far 15 100 15 - 4.0-5.4 HG3 LYS 94 - QG2 ILE 93 far 0 61 0 - 5.0-6.2 HG2 LYS 94 - QG2 ILE 93 far 0 100 0 - 5.2-6.5 QB ALA 89 - QG2 ILE 93 far 0 100 0 - 5.2-5.5 HB3 ARG 30 - QG2 ILE 93 far 0 81 0 - 8.8-9.5 HG LEU 14 - QG2 ILE 93 far 0 100 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 10321 from cnoeabs.peaks (1.33, 0.77, 14.14 ppm; 3.54 A): 1 out of 8 assignments used, quality = 1.00: QB ALA 89 + QD1 ILE 93 OK 100 100 100 100 2.1-3.1 9932=99, 10787/9947=40...(12) QB ALA 25 - QD1 ILE 93 far 0 100 0 - 4.8-5.4 HG2 LYS 94 - QD1 ILE 93 far 0 100 0 - 5.7-8.0 HG LEU 14 - QD1 ILE 93 far 0 96 0 - 5.8-6.3 HB3 LEU 27 - QD1 ILE 93 far 0 99 0 - 6.7-7.9 HB3 ARG 30 - QD1 ILE 93 far 0 63 0 - 8.4-9.6 HG12 ILE 8 - QD1 ILE 93 far 0 79 0 - 9.1-9.9 QB ALA 67 - QD1 ILE 93 far 0 100 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 10322 from cnoeabs.peaks (0.94, 0.75, 17.00 ppm; 3.81 A): 1 out of 4 assignments used, quality = 0.96: QG2 VAL 5 + QG2 ILE 93 OK 96 99 100 96 2.3-3.0 8176/3.2=39, ~10198=28...(17) HG LEU 55 - QG2 ILE 93 far 0 82 0 - 5.9-6.6 QG2 VAL 83 - QG2 ILE 93 far 0 84 0 - 7.7-8.0 HB2 ARG 81 - QG2 ILE 93 far 0 100 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 10323 from cnoeabs.peaks (1.34, 1.80, 37.57 ppm; 5.73 A): 3 out of 5 assignments used, quality = 1.00: QB ALA 89 + HB ILE 93 OK 100 100 100 100 4.8-5.3 9932/3.2=99...(8) QB ALA 25 + HB ILE 93 OK 100 100 100 100 4.2-4.8 10320/2.1=99, ~8613=42...(10) HG2 LYS 94 + HB ILE 93 OK 47 100 50 93 4.7-6.8 7515/7507=86...(6) HB3 LEU 27 - HB ILE 93 far 0 100 0 - 7.3-8.9 HG LEU 14 - HB ILE 93 far 0 98 0 - 9.5-10.0 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 = 0.97: HB2 SER 97 + QG2 ILE 93 OK 92 99 100 93 3.1-4.3 10078/10320=64...(5) HB3 SER 97 + QG2 ILE 93 OK 66 82 90 89 4.4-5.3 10073/10320=51...(7) Violated in 0 structures by 0.00 A. Peak 10325 from cnoeabs.peaks (3.90, 0.77, 14.14 ppm; 4.91 A): 1 out of 5 assignments used, quality = 1.00: HA ALA 89 + QD1 ILE 93 OK 100 100 100 100 3.0-4.3 2.1/9932=99, 3.6/9942=64...(10) HA ARG 91 - QD1 ILE 93 far 0 99 0 - 5.6-6.5 HA LYS 94 - QD1 ILE 93 far 0 73 0 - 5.7-5.9 HB3 SER 9 - QD1 ILE 93 far 0 81 0 - 8.2-9.1 HB2 SER 85 - QD1 ILE 93 far 0 100 0 - 8.8-10.4 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 99 100 100 2.2-2.9 10327/3.1=57, 8579=57...(23) HB2 LEU 27 + QG2 ILE 93 OK 77 97 95 84 3.2-4.2 8633/10322=39...(8) HG LEU 29 - QG2 ILE 93 far 0 99 0 - 5.2-5.9 HG2 LYS 20 - QG2 ILE 93 far 0 97 0 - 6.7-9.2 HG12 ILE 7 - QG2 ILE 93 far 0 93 0 - 7.4-7.9 HG3 ARG 91 - QG2 ILE 93 far 0 99 0 - 7.7-8.4 HD2 LYS 53 - QG2 ILE 93 far 0 96 0 - 9.7-11.5 HG3 LYS 53 - QG2 ILE 93 far 0 85 0 - 10.0-10.8 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 = 0.99: QB ALA 22 + QD1 ILE 93 OK 99 100 100 99 2.7-3.6 6353/11004=42, 8579=42...(23) HG LEU 29 - QD1 ILE 93 far 0 100 0 - 4.4-5.5 HG12 ILE 7 - QD1 ILE 93 far 0 99 0 - 4.9-5.3 HG2 LYS 20 - QD1 ILE 93 far 0 88 0 - 5.2-8.6 HB2 LEU 27 - QD1 ILE 93 far 0 88 0 - 5.8-6.7 HG3 ARG 91 - QD1 ILE 93 far 0 94 0 - 7.3-8.2 Violated in 0 structures by 0.00 A. Peak 10330 from cnoeabs.peaks (5.18, 6.95, 131.21 ppm; 6.50 A): 3 out of 3 assignments used, quality = 0.99: HA VAL 54 + QE PHE 96 OK 88 88 100 100 3.3-4.6 9221/2.2=90, 9220=89...(10) HA VAL 78 + QE PHE 96 OK 75 92 100 81 4.4-5.6 11101/9218=67...(4) HA TYR 4 + QE PHE 96 OK 62 62 100 100 4.0-4.9 3.0/8119=98, ~8120=83...(7) Violated in 0 structures by 0.00 A. Peak 10332 from cnoeabs.peaks (1.43, 1.69, 29.43 ppm; 2.91 A increased from 2.74 A): 5 out of 30 assignments used, quality = 0.99: HG3 ARG 91 + HB3 ARG 91 OK 74 74 100 100 2.3-3.0 2.8=100 HG2 LYS 12 + HD3 LYS 12 OK 60 60 100 100 2.3-3.0 3.0=93, 463/3.0=31...(57) HG2 LYS 12 + HD2 LYS 12 OK 60 60 100 100 2.3-3.0 3.0=93, 463/3.0=31...(60) HG2 LYS 20 + HD2 LYS 20 OK 51 51 100 100 2.2-3.0 2.8=100 HG2 LYS 20 + HD3 LYS 20 OK 47 47 100 100 2.4-2.9 2.8=100 HG12 ILE 7 - HG12 ILE 15 far 0 100 0 - 5.0-5.8 HG2 LYS 12 - HG12 ILE 15 far 0 95 0 - 5.7-6.4 QB ALA 22 - HD3 LYS 20 far 0 67 0 - 5.8-8.6 HG2 LYS 20 - HD3 LYS 90 far 0 78 0 - 6.0-10.5 QB ALA 22 - HD2 LYS 20 far 0 73 0 - 6.8-8.7 HG2 LYS 13 - HD3 LYS 12 far 0 68 0 - 6.9-8.9 HG2 LYS 13 - HD2 LYS 12 far 0 68 0 - 7.4-9.5 HG LEU 29 - HG12 ILE 15 far 0 100 0 - 7.6-9.0 HG13 ILE 76 - HD2 LYS 47 far 0 87 0 - 7.9-11.4 HG2 LYS 13 - HD2 LYS 20 far 0 74 0 - 7.9-10.6 QB ALA 22 - HD3 LYS 90 far 0 99 0 - 8.3-9.6 HG3 ARG 91 - HD3 LYS 90 far 0 86 0 - 8.3-9.8 HG2 LYS 13 - HD3 LYS 20 far 0 69 0 - 8.5-12.2 QB ALA 22 - HG12 ILE 15 far 0 100 0 - 8.5-9.5 HG13 ILE 76 - HD3 LYS 47 far 0 88 0 - 8.7-11.2 HG13 ILE 52 - HD3 LYS 47 far 0 65 0 - 8.7-11.3 HG2 LYS 13 - HG12 ILE 15 far 0 100 0 - 8.9-10.6 HG2 LYS 12 - HD2 LYS 20 far 0 66 0 - 8.9-11.4 HG12 ILE 7 - HD3 LYS 90 far 0 100 0 - 9.0-11.4 HG2 LYS 12 - HD3 LYS 20 far 0 61 0 - 9.0-13.0 HG LEU 29 - HD3 LYS 20 far 0 67 0 - 9.3-12.8 HG2 LYS 20 - HD2 LYS 12 far 0 46 0 - 9.4-13.7 HG2 LYS 13 - HD3 LYS 90 far 0 100 0 - 9.5-12.5 HG2 LYS 20 - HD3 LYS 12 far 0 46 0 - 9.7-14.1 HG2 LYS 20 - HG12 ILE 15 far 0 79 0 - 9.8-11.9 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 7 assignments used, quality = 0.98: HA LYS 94 + QB ALA 25 OK 93 100 100 93 3.0-3.6 4174=42, 4349/10078=36...(9) HA ALA 22 + QB ALA 25 OK 68 71 100 95 2.3-3.2 6394/6408=36, 1006=35...(16) HA3 GLY 101 - QB ALA 25 far 0 71 0 - 6.2-11.3 HA2 GLY 101 - QB ALA 25 far 0 100 0 - 6.6-11.5 HA ARG 91 - QB ALA 25 far 0 81 0 - 7.4-8.1 HA2 GLY 100 - QB ALA 25 far 0 100 0 - 7.5-9.2 HB2 SER 102 - QB ALA 25 far 0 70 0 - 8.6-15.6 Violated in 0 structures by 0.00 A. Peak 10335 from cnoeabs.peaks (1.37, 0.83, 22.02 ppm; 3.91 A): 1 out of 7 assignments used, quality = 0.99: HG12 ILE 8 + QG2 VAL 32 OK 99 100 100 100 3.0-3.8 12204/2.1=71, ~12203=46...(14) HB3 ARG 30 - QG2 VAL 32 far 0 100 0 - 4.4-4.5 HG3 LYS 40 - QG2 VAL 32 far 0 99 0 - 4.8-6.3 QB ALA 67 - QG2 VAL 32 far 0 73 0 - 5.1-5.7 HB2 LEU 70 - QG2 VAL 32 far 0 100 0 - 7.2-7.9 HG2 LYS 39 - QG2 VAL 32 far 0 87 0 - 8.0-8.4 QB ALA 89 - QG2 VAL 32 far 0 77 0 - 8.9-9.2 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 8 assignments used, quality = 0.89: HG12 ILE 8 + QG1 VAL 32 OK 89 90 100 99 3.3-4.0 12204/2.1=65, ~12203=48...(14) QB ALA 67 - QG1 VAL 32 far 0 100 0 - 4.9-5.5 HG3 LYS 40 - QG1 VAL 32 far 0 94 0 - 5.6-7.2 HB2 LEU 70 - QG1 VAL 32 far 0 81 0 - 6.8-7.5 HB3 ARG 30 - QG1 VAL 32 far 0 77 0 - 6.9-7.1 HG2 LYS 39 - QG1 VAL 32 far 0 100 0 - 7.8-8.2 HB3 LEU 42 - QG1 VAL 32 far 0 61 0 - 8.6-8.8 QB ALA 89 - QG1 VAL 32 far 0 100 0 - 9.8-10.3 Violated in 3 structures by 0.00 A. Peak 10337 from cnoeabs.peaks (1.17, 0.83, 22.02 ppm; 4.09 A increased from 3.45 A): 1 out of 6 assignments used, quality = 0.99: HB2 LEU 6 + QG2 VAL 32 OK 99 100 100 99 3.7-3.9 1.8/10160=82...(8) QG2 THR 31 - QG2 VAL 32 far 0 70 0 - 4.8-5.0 QG2 THR 34 - QG2 VAL 32 far 0 100 0 - 6.1-6.2 HG2 LYS 40 - QG2 VAL 32 far 0 95 0 - 6.2-7.6 HB2 LEU 57 - QG2 VAL 32 far 0 91 0 - 8.1-8.5 HB2 LEU 29 - QG2 VAL 32 far 0 96 0 - 8.5-8.9 Violated in 0 structures by 0.00 A. Peak 10338 from cnoeabs.peaks (1.36, 1.94, 34.49 ppm; 4.46 A): 1 out of 9 assignments used, quality = 1.00: HG12 ILE 8 + HB VAL 32 OK 100 100 100 100 2.0-3.0 12204=100, 2.1/12200=90...(14) QB ALA 67 - HB VAL 32 far 0 88 0 - 5.7-6.3 HB3 ARG 30 - HB VAL 32 far 0 99 0 - 7.1-7.3 HG12 ILE 8 - HB3 LYS 33 far 0 66 0 - 7.9-8.9 HG3 LYS 40 - HB VAL 32 far 0 100 0 - 8.0-9.8 HG12 ILE 8 - HB2 LYS 33 far 0 70 0 - 8.0-9.1 HB2 LEU 70 - HB VAL 32 far 0 99 0 - 9.2-10.0 HG3 LYS 40 - HB2 LYS 33 far 0 71 0 - 9.5-11.0 QB ALA 89 - HB VAL 32 far 0 91 0 - 9.9-10.3 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 9601/1.8=82, 9605/3.1=74...(23) HB3 MET 74 + HB3 LEU 42 OK 65 71 100 91 3.7-4.5 ~9615=32, 4.2/9603=27...(14) HB2 ARG 46 - HB3 LEU 42 poor 18 91 60 33 3.8-6.4 10179/10285=16...(4) HB3 ARG 46 - HB3 LEU 42 far 7 65 10 - 4.7-6.2 HB2 GLU 44 - HB3 LEU 42 far 0 100 0 - 7.0-7.4 HB2 LYS 73 - HB3 LEU 42 far 0 61 0 - 7.7-10.3 HB3 GLU 44 - HB3 LEU 42 far 0 100 0 - 7.9-8.4 HB3 LYS 73 - HB3 LEU 42 far 0 59 0 - 8.8-10.5 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 5 assignments used, quality = 1.00: QE MET 74 + HG LEU 42 OK 100 100 100 100 3.7-4.1 9605/2.1=87, 9601/3.0=69...(20) HB2 ARG 46 - HG LEU 42 far 0 77 0 - 6.6-9.2 HB2 GLU 44 - HG LEU 42 far 0 100 0 - 7.2-7.6 HB2 GLU 37 - HG LEU 42 far 0 82 0 - 8.1-8.5 HB3 GLU 44 - HG LEU 42 far 0 100 0 - 8.5-9.0 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 = 0.93: QE MET 74 + QD2 LEU 42 OK 87 87 100 100 3.2-3.8 9605/2.1=66...(19) HB3 MET 74 + QD2 LEU 42 OK 47 96 55 89 4.1-4.5 ~9615=34, 10347/8924=28...(14) HB2 ARG 46 - QD2 LEU 42 far 0 100 0 - 4.5-6.8 HB3 ARG 46 - QD2 LEU 42 far 0 94 0 - 5.5-6.8 HB2 GLU 44 - QD2 LEU 42 far 0 88 0 - 6.3-6.8 HB2 LYS 73 - QD2 LEU 42 far 0 92 0 - 7.1-8.9 HB3 GLU 44 - QD2 LEU 42 far 0 88 0 - 7.5-8.0 HB VAL 32 - QD2 LEU 42 far 0 63 0 - 8.0-8.4 HB3 LYS 73 - QD2 LEU 42 far 0 91 0 - 8.3-9.4 HB2 GLU 37 - QD2 LEU 42 far 0 100 0 - 8.6-9.1 QE MET 1 - QD2 LEU 42 far 0 100 0 - 9.2-10.1 HB2 LYS 47 - QD2 LEU 42 far 0 99 0 - 9.8-10.1 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...(28) HB3 MET 74 + QD1 LEU 42 OK 58 61 100 95 3.3-4.0 2.9/9615=51, 4.2/9605=47...(14) HB3 GLU 17 - QD1 LEU 14 far 0 96 0 - 4.7-5.5 HB2 ARG 46 - QD1 LEU 42 far 0 84 0 - 5.5-7.8 HB2 GLU 37 - QD1 LEU 42 far 0 88 0 - 7.5-7.8 HB2 GLU 44 - QD1 LEU 42 far 0 100 0 - 7.7-8.0 HB2 GLU 35 - QD1 LEU 42 far 0 100 0 - 7.7-8.3 HB3 GLU 44 - QD1 LEU 42 far 0 100 0 - 8.5-9.0 HG12 ILE 93 - QD1 LEU 14 far 0 58 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 10343 from cnoeabs.peaks (1.99, 3.70, 58.24 ppm; 4.19 A increased from 3.73 A): 1 out of 8 assignments used, quality = 0.96: QE MET 74 + HA LEU 42 OK 96 96 100 100 3.9-4.2 9601/3.0=61...(17) HB2 ARG 46 - HA LEU 42 far 5 98 5 - 4.5-6.9 HB2 GLU 44 - HA LEU 42 far 0 97 0 - 5.0-5.4 HB3 ARG 46 - HA LEU 42 far 0 82 0 - 5.2-6.9 HB3 MET 74 - HA LEU 42 far 0 87 0 - 6.1-7.0 HB3 GLU 44 - HA LEU 42 far 0 97 0 - 6.3-6.8 HB2 LYS 47 - HA LEU 42 far 0 94 0 - 9.7-10.0 HB2 GLU 37 - HA LEU 42 far 0 99 0 - 9.8-10.3 Violated in 3 structures by 0.01 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 - 6.7-7.2 Violated in 20 structures by 2.45 A. Peak 10347 from cnoeabs.peaks (1.97, 3.85, 55.14 ppm; 3.97 A): 2 out of 17 assignments used, quality = 1.00: HB3 MET 74 + HA ALA 71 OK 99 100 100 99 2.4-3.3 2.9/9551=49...(19) QE MET 74 + HA ALA 71 OK 68 70 100 98 3.1-4.3 3.4/9551=45, 3.4/9611=35...(20) HB2 LYS 73 - HA ALA 71 far 0 99 0 - 5.0-6.8 HB2 LYS 24 - HA ALA 22 far 0 60 0 - 5.1-5.6 HB3 LYS 24 - HA ALA 22 far 0 60 0 - 5.5-6.7 HB2 ARG 46 - HA ALA 71 far 0 100 0 - 6.2-9.2 HB3 LYS 73 - HA ALA 71 far 0 99 0 - 6.5-7.5 QE MET 74 - HA ALA 67 far 0 48 0 - 6.6-7.8 HB VAL 32 - HA ALA 67 far 0 59 0 - 7.1-8.0 HB3 LYS 20 - HA ALA 22 far 0 36 0 - 7.3-7.9 HB3 ARG 46 - HA ALA 71 far 0 99 0 - 7.8-8.8 HB3 ARG 19 - HA ALA 22 far 0 30 0 - 7.8-8.2 HB2 LYS 73 - HA ALA 67 far 0 77 0 - 8.4-9.7 HB3 MET 74 - HA ALA 67 far 0 79 0 - 8.5-9.7 HB2 GLU 37 - HA ALA 67 far 0 77 0 - 8.7-9.7 HB2 GLU 17 - HA ALA 22 far 0 44 0 - 9.5-10.0 HB3 GLU 17 - HA ALA 22 far 0 29 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 10348 from cnoeabs.peaks (1.89, 5.19, 58.80 ppm; 3.68 A): 1 out of 5 assignments used, quality = 1.00: HB VAL 54 + HA VAL 78 OK 100 100 100 100 2.7-3.5 11103=80, 12126/3.2=62...(13) HG LEU 42 - HA VAL 78 far 0 100 0 - 7.9-8.6 HB3 LYS 68 - HA VAL 78 far 0 94 0 - 8.1-8.6 HB3 GLU 104 - HA VAL 78 far 0 93 0 - 9.3-21.3 HB VAL 5 - HA VAL 78 far 0 81 0 - 9.9-10.4 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 2.2-2.8 11104=96, 12126/2.1=93...(12) HG LEU 42 - HB VAL 78 far 0 100 0 - 6.2-7.0 HB3 LYS 68 - HB VAL 78 far 0 88 0 - 6.7-7.4 HB VAL 5 - HB VAL 78 far 0 71 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 10350 from cnoeabs.peaks (1.88, 0.72, 21.10 ppm; 2.99 A): 2 out of 28 assignments used, quality = 0.89: 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 62 65 100 95 1.9-2.1 12126=81, 11104/2.1=33...(10) HB VAL 54 - QG2 VAL 78 far 0 99 0 - 3.6-4.1 HB2 LYS 68 - QG2 VAL 78 far 0 63 0 - 3.9-4.7 HB3 LYS 68 - QG2 VAL 78 far 0 100 0 - 4.1-4.6 HG LEU 42 - QG1 VAL 78 far 0 56 0 - 4.1-4.7 HB2 LYS 53 - QG1 VAL 78 far 0 40 0 - 4.9-6.0 HG LEU 42 - QG2 VAL 78 far 0 91 0 - 5.2-5.9 HB2 LYS 53 - QG2 VAL 78 far 0 70 0 - 6.2-7.3 HB2 LYS 68 - QG1 VAL 78 far 0 36 0 - 6.3-7.1 HB3 LYS 68 - QG1 VAL 78 far 0 67 0 - 6.5-7.1 HB VAL 54 - QG1 VAL 5 far 0 73 0 - 6.6-7.0 HB2 ARG 19 - QG1 VAL 5 far 0 67 0 - 7.4-8.6 HB ILE 8 - QG1 VAL 5 far 0 64 0 - 7.5-8.0 HB2 LYS 53 - QG1 VAL 5 far 0 45 0 - 7.8-8.6 HB3 GLU 104 - QG2 VAL 78 far 0 100 0 - 8.1-20.8 HB3 LYS 39 - QG1 VAL 78 far 0 63 0 - 8.3-9.7 HB3 LYS 39 - QG2 VAL 78 far 0 98 0 - 8.5-10.4 HB3 LYS 66 - QG2 VAL 78 far 0 97 0 - 8.5-8.8 HB VAL 5 - QG1 VAL 78 far 0 62 0 - 8.9-9.2 HG LEU 42 - QG1 VAL 5 far 0 63 0 - 9.0-9.8 HB3 LEU 14 - QG1 VAL 5 far 0 56 0 - 9.3-10.1 HB ILE 8 - QG2 VAL 78 far 0 92 0 - 9.3-9.9 HB2 GLU 43 - QG1 VAL 78 far 0 44 0 - 9.5-10.1 HB3 GLU 104 - QG1 VAL 78 far 0 67 0 - 9.6-18.9 HB VAL 5 - QG2 VAL 78 far 0 97 0 - 9.6-10.2 HB2 LYS 20 - QG1 VAL 5 far 0 70 0 - 9.8-10.7 HB3 LYS 66 - QG1 VAL 78 far 0 62 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 10351 from cnoeabs.peaks (1.88, 0.74, 21.24 ppm; 2.92 A): 2 out of 29 assignments used, quality = 0.98: HB VAL 54 + QG1 VAL 78 OK 91 99 100 92 1.9-2.1 12126=45, 6896/6898=32...(12) HB VAL 54 + QG1 VAL 54 OK 80 80 100 100 2.1-2.1 2.1=100 HB VAL 54 - QG2 VAL 78 far 0 65 0 - 3.6-4.1 HB2 LYS 68 - QG2 VAL 78 far 0 36 0 - 3.9-4.7 HB3 LYS 68 - QG2 VAL 78 far 0 67 0 - 4.1-4.6 HG LEU 42 - QG1 VAL 54 far 0 70 0 - 4.1-5.0 HG LEU 42 - QG1 VAL 78 far 0 91 0 - 4.1-4.7 HB2 LYS 53 - QG1 VAL 78 far 0 70 0 - 4.9-6.0 HB VAL 5 - QG1 VAL 54 far 0 77 0 - 5.0-5.5 HG LEU 42 - QG2 VAL 78 far 0 56 0 - 5.2-5.9 HB2 LYS 53 - QG1 VAL 54 far 0 51 0 - 5.8-6.3 HB2 LYS 53 - QG2 VAL 78 far 0 40 0 - 6.2-7.3 HB2 LYS 68 - QG1 VAL 78 far 0 63 0 - 6.3-7.1 HB3 LYS 68 - QG1 VAL 78 far 0 100 0 - 6.5-7.1 HB3 GLU 104 - QG2 VAL 78 far 0 67 0 - 8.1-20.8 HB3 LYS 68 - QG1 VAL 54 far 0 83 0 - 8.2-8.8 HB ILE 8 - QG1 VAL 54 far 0 71 0 - 8.3-9.0 HB3 LYS 39 - QG1 VAL 78 far 0 98 0 - 8.3-9.7 HB3 LYS 39 - QG2 VAL 78 far 0 63 0 - 8.5-10.4 HB3 LYS 66 - QG2 VAL 78 far 0 62 0 - 8.5-8.8 HB2 LYS 68 - QG1 VAL 54 far 0 46 0 - 8.6-9.2 HB3 LYS 39 - QG1 VAL 54 far 0 78 0 - 8.8-10.0 HB VAL 5 - QG1 VAL 78 far 0 97 0 - 8.9-9.2 HB ILE 8 - QG2 VAL 78 far 0 57 0 - 9.3-9.9 HB2 GLU 43 - QG1 VAL 78 far 0 75 0 - 9.5-10.1 HB3 GLU 104 - QG1 VAL 78 far 0 100 0 - 9.6-18.9 HB VAL 5 - QG2 VAL 78 far 0 62 0 - 9.6-10.2 HB2 GLU 43 - QG1 VAL 54 far 0 56 0 - 9.7-10.4 HB3 LYS 66 - QG1 VAL 78 far 0 97 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 10352 from cnoeabs.peaks (0.80, 1.97, 32.41 ppm; 5.47 A increased from 4.38 A): 2 out of 21 assignments used, quality = 0.96: QD2 LEU 70 + HB2 LYS 73 OK 90 91 100 98 3.9-5.5 10395/2.9=89...(5) QD2 LEU 70 + HB3 LYS 73 OK 61 90 70 96 4.7-6.0 10395/2.9=89...(5) QD2 LEU 2 - HB2 MET 1 poor 19 53 35 - 4.7-6.8 QD2 LEU 103 - HB2 MET 1 far 2 41 5 - 5.4-12.5 QD1 ILE 76 - HB2 LYS 73 far 0 92 0 - 5.9-7.7 QD1 LEU 70 - HB2 LYS 73 far 0 87 0 - 5.9-7.2 QD1 ILE 93 - HB2 LYS 24 far 0 42 0 - 6.1-7.1 QD2 LEU 2 - HB2 LYS 47 far 0 100 0 - 6.3-8.9 QG2 ILE 52 - HB2 LYS 47 far 0 87 0 - 6.3-7.4 QD1 ILE 93 - HB3 LYS 24 far 0 42 0 - 6.5-8.1 QD1 LEU 27 - HB3 LYS 24 far 0 41 0 - 6.5-8.2 QD1 LEU 27 - HB2 LYS 24 far 0 41 0 - 6.7-7.8 QD1 ILE 76 - HB3 LYS 73 far 0 91 0 - 6.9-7.8 QD1 LEU 70 - HB3 LYS 73 far 0 86 0 - 7.1-8.1 QD2 LEU 42 - HB2 LYS 73 far 0 55 0 - 7.1-8.9 QD1 LEU 27 - HB2 MET 1 far 0 31 0 - 7.5-8.5 QD1 ILE 76 - HB2 LYS 47 far 0 100 0 - 8.0-9.0 QD2 LEU 42 - HB3 LYS 73 far 0 54 0 - 8.3-9.4 QG2 ILE 52 - HB2 MET 1 far 0 41 0 - 8.6-9.0 QD2 LEU 42 - HB2 LYS 47 far 0 65 0 - 9.8-10.1 QD2 LEU 38 - HB2 LYS 73 far 0 80 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 10353 from cnoeabs.peaks (3.90, 2.42, 30.51 ppm; 6.14 A): 3 out of 4 assignments used, quality = 0.85: HA2 GLY 100 + HG3 MET 1 OK 62 70 100 90 3.6-5.5 10107/8021=77...(7) HA3 GLY 101 + HG3 MET 1 OK 44 100 55 81 4.4-7.2 10108/8022=43...(7) HA2 GLY 101 + HG3 MET 1 OK 29 70 60 70 3.9-8.4 ~10100=31, ~8031=22...(7) HB2 SER 102 - HG3 MET 1 far 5 100 5 - 3.5-12.7 Violated in 0 structures by 0.00 A. Peak 10354 from cnoeabs.peaks (4.15, 1.70, 43.59 ppm; 6.01 A): 1 out of 2 assignments used, quality = 1.00: HA MET 1 + HB2 LEU 2 OK 100 100 100 100 4.9-5.2 8007=99, 8/4.0=93...(9) HA LYS 47 - HB2 LEU 2 far 0 99 0 - 9.5-10.5 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 2 assignments used, quality = 1.00: HA MET 1 + HB3 LEU 2 OK 100 100 100 100 5.4-5.6 8007/1.8=94, 8/4.0=91...(8) HA LYS 47 - HB3 LEU 2 far 0 96 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 10356 from cnoeabs.peaks (5.35, 1.51, 26.80 ppm; 5.44 A): 2 out of 4 assignments used, quality = 0.98: HA ILE 52 + HG LEU 2 OK 97 97 100 100 3.1-4.7 8049/2.1=85...(14) HA THR 80 + HG3 ARG 79 OK 48 70 70 98 3.9-6.0 2.9/7301=82, ~7300=50...(11) HA THR 80 - HG2 ARG 79 far 4 72 5 - 5.0-6.6 HA THR 80 - HG LEU 6 far 0 75 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 10358 from cnoeabs.peaks (6.45, 1.51, 26.80 ppm; 5.10 A increased from 4.53 A): 3 out of 7 assignments used, quality = 1.00: QE TYR 4 + HG LEU 2 OK 100 100 100 100 4.7-5.3 8158/2.1=95, 8157/2.1=80...(19) QD TYR 4 + HG LEU 6 OK 49 83 65 91 5.0-5.6 2.5/8143=35...(12) QD TYR 4 + HG3 ARG 30 OK 45 52 95 92 4.4-6.3 8702/1.8=44, 14574=43...(10) QE TYR 4 - HG3 ARG 30 far 8 55 15 - 5.2-6.9 QD TYR 4 - HG LEU 2 far 0 99 0 - 6.0-6.6 QE TYR 4 - HG LEU 6 far 0 87 0 - 7.0-7.6 QD TYR 4 - HG3 ARG 79 far 0 79 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 10362 from cnoeabs.peaks (1.69, 0.46, 24.71 ppm; 5.13 A): 1 out of 4 assignments used, quality = 1.00: HB3 LYS 53 + QD1 LEU 3 OK 100 100 100 100 4.5-4.7 8114/2.1=99, 9188=77...(17) HB2 LEU 2 - QD1 LEU 3 far 0 96 0 - 5.8-6.1 HB ILE 52 - QD1 LEU 3 far 0 96 0 - 7.7-8.5 HB3 ARG 79 - QD1 LEU 3 far 0 73 0 - 8.3-10.7 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 3 assignments used, quality = 1.00: HG3 MET 1 + HG LEU 3 OK 100 100 100 100 2.7-3.6 8020=100, 8022/2.1=100...(22) HG3 GLU 99 - HG LEU 3 far 0 92 0 - 6.6-10.8 HG3 GLU 48 - HG LEU 3 far 0 99 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 10365 from cnoeabs.peaks (8.48, 1.15, 44.04 ppm; 5.25 A): 1 out of 5 assignments used, quality = 0.99: H LYS 53 + HB3 LEU 3 OK 99 99 100 100 4.6-5.3 9178/3.0=88, 8078/3.1=85...(7) H LEU 2 - HB3 LEU 3 far 0 73 0 - 6.4-6.9 H VAL 54 - HB3 LEU 3 far 0 98 0 - 6.6-7.3 H LEU 29 - HB3 LEU 3 far 0 84 0 - 8.2-8.8 H ARG 79 - HB3 LEU 3 far 0 90 0 - 8.2-9.4 Violated in 1 structures by 0.00 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 3.6-4.4 8656=95, 1.8/8135=95...(10) HB2 LEU 2 - HA TYR 4 far 0 82 0 - 6.8-7.3 Violated in 0 structures by 0.00 A. Peak 10367 from cnoeabs.peaks (4.67, 0.95, 22.19 ppm; 4.84 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 55 + QG2 VAL 5 OK 100 100 100 100 4.5-4.7 2.9/6909=77, 3.0/8198=76...(19) HA LEU 27 - QG2 VAL 5 far 15 97 15 - 4.9-5.6 Violated in 0 structures by 0.00 A. Peak 10368 from cnoeabs.peaks (3.81, 1.86, 33.82 ppm; 6.50 A): 2 out of 4 assignments used, quality = 1.00: HA ALA 22 + HB VAL 5 OK 98 98 100 100 5.0-5.7 8576/2.1=96, ~8578=87...(7) HA ARG 19 + HB VAL 5 OK 92 100 95 97 5.9-6.8 8512/8191=57...(7) HA ALA 18 - HB VAL 5 far 0 59 0 - 6.8-7.6 HA SER 97 - HB VAL 5 far 0 100 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 10369 from cnoeabs.peaks (8.25, 0.73, 20.80 ppm; 5.48 A): 1 out of 8 assignments used, quality = 0.75: H ALA 71 + QG2 VAL 78 OK 75 75 100 100 3.9-4.2 ~10210=73, ~9685=67...(17) H LYS 94 - QG1 VAL 5 far 0 99 0 - 6.3-6.8 H SER 97 - QG1 VAL 5 far 0 61 0 - 6.7-7.4 H GLU 23 - QG1 VAL 5 far 0 90 0 - 7.0-7.8 H LEU 27 - QG1 VAL 5 far 0 98 0 - 7.2-7.8 H PHE 45 - QG2 VAL 78 far 0 75 0 - 8.4-9.3 H GLU 104 - QG2 VAL 78 far 0 40 0 - 9.2-18.4 H LEU 103 - QG2 VAL 78 far 0 47 0 - 9.8-17.0 Violated in 0 structures by 0.00 A. Peak 10370 from cnoeabs.peaks (8.25, 0.95, 22.19 ppm; 5.85 A increased from 5.20 A): 3 out of 4 assignments used, quality = 0.99: H LEU 27 + QG2 VAL 5 OK 97 98 100 100 5.4-5.9 6440/8633=88...(5) H SER 97 + QG2 VAL 5 OK 59 61 100 97 5.1-5.7 4.5/8169=83, 4.2/8177=51...(5) H LYS 94 + QG2 VAL 5 OK 49 99 50 99 5.8-6.5 7508/10322=89...(4) H GLU 23 - QG2 VAL 5 far 0 90 0 - 6.7-7.2 Violated in 0 structures by 0.00 A. Peak 10372 from cnoeabs.peaks (1.83, 5.47, 52.09 ppm; 5.87 A): 2 out of 2 assignments used, quality = 0.98: HB3 LEU 57 + HA LEU 6 OK 89 99 95 94 5.8-6.2 8269/6072=46...(7) HB VAL 5 + HA LEU 6 OK 81 81 100 100 4.5-4.9 2.1/8178=92, ~6067=81...(15) Violated in 0 structures by 0.00 A. Peak 10373 from cnoeabs.peaks (0.99, 0.62, 13.69 ppm; 4.29 A): 1 out of 5 assignments used, quality = 0.68: QG2 VAL 83 + QD1 ILE 7 OK 68 75 100 91 3.8-4.3 10403/10272=66...(8) QG1 VAL 83 - QD1 ILE 7 far 0 96 0 - 5.5-6.3 HG LEU 55 - QD1 ILE 7 far 0 77 0 - 6.9-7.8 HB3 LEU 55 - QD1 ILE 7 far 0 71 0 - 7.8-9.9 QG2 THR 80 - QD1 ILE 7 far 0 97 0 - 8.1-8.9 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 4.5-5.8 8328/1.8=97, 8331/2.1=96...(15) HA ALA 89 + HG12 ILE 7 OK 55 85 100 64 5.3-5.8 ~12172=35...(4) 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 4.2-5.5 8321=100, 8322/1.8=97...(15) HB3 ASP 11 - HG12 ILE 7 far 0 100 0 - 8.6-10.0 HE3 LYS 12 - HG12 ILE 7 far 0 79 0 - 9.5-13.5 HE2 LYS 12 - HG12 ILE 7 far 0 98 0 - 9.9-13.6 HE3 LYS 33 - HG12 ILE 7 far 0 84 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 10377 from cnoeabs.peaks (8.91, 0.62, 13.69 ppm; 5.34 A): 1 out of 3 assignments used, quality = 0.96: H ARG 19 + QD1 ILE 7 OK 96 96 100 100 4.0-5.5 3.6/8278=93, 8245/3.0=73...(11) H LEU 57 - QD1 ILE 7 far 10 97 10 - 5.2-5.8 H VAL 5 - QD1 ILE 7 far 0 100 0 - 8.3-9.2 Violated in 2 structures by 0.02 A. Peak 10378 from cnoeabs.peaks (8.65, 0.62, 13.69 ppm; 5.09 A): 1 out of 4 assignments used, quality = 1.00: H ALA 18 + QD1 ILE 7 OK 100 100 100 100 3.4-4.9 2.9/8278=96...(17) H ASN 10 - QD1 ILE 7 far 10 99 10 - 5.0-6.5 H ASP 11 - QD1 ILE 7 far 9 90 10 - 5.1-6.4 H LEU 55 - QD1 ILE 7 far 0 96 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 10379 from cnoeabs.peaks (8.08, 0.62, 13.69 ppm; 5.74 A): 3 out of 4 assignments used, quality = 1.00: H ILE 15 + QD1 ILE 7 OK 100 100 100 100 3.6-3.9 6215/10272=97...(14) H GLU 17 + QD1 ILE 7 OK 84 97 90 97 5.0-6.2 6259/10378=76...(5) H LYS 90 + QD1 ILE 7 OK 33 75 60 73 5.4-7.7 3.6/12172=38...(5) H LYS 13 - QD1 ILE 7 far 0 100 0 - 6.8-7.2 Violated in 0 structures by 0.00 A. Peak 10380 from cnoeabs.peaks (9.11, 0.62, 13.69 ppm; 6.50 A increased from 6.37 A): 1 out of 2 assignments used, quality = 0.56: H ARG 30 + QD1 ILE 7 OK 56 99 60 94 6.6-7.3 6489/4.7=86, 8742/8279=57 H VAL 83 - QD1 ILE 7 far 5 100 5 - 6.7-7.5 Violated in 20 structures by 0.31 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 3.8-4.4 10673=99, 8312/2.9=65...(11) QD1 ILE 7 - HB ILE 8 far 8 81 10 - 4.2-6.3 Violated in 0 structures by 0.00 A. Peak 10384 from cnoeabs.peaks (4.59, 4.43, 58.24 ppm; 4.58 A increased from 4.31 A): 2 out of 4 assignments used, quality = 0.97: HA ILE 8 + HA SER 9 OK 86 87 100 99 4.3-4.4 6102/2.9=82, ~6104=38...(12) HA ASP 77 + HA ILE 76 OK 78 78 100 100 4.3-4.4 3.0/7262=87...(13) HA ASP 11 - HA SER 9 far 0 99 0 - 6.9-7.0 HA THR 84 - HA SER 9 far 0 99 0 - 7.6-8.2 Violated in 0 structures by 0.00 A. Peak 10386 from cnoeabs.peaks (5.92, 2.93, 39.13 ppm; 5.54 A): 0 out of 0 assignments used, quality = 0.00: Peak 10391 from cnoeabs.peaks (0.77, 1.70, 29.09 ppm; 2.86 A): 6 out of 66 assignments used, quality = 0.97: 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 37 50 95 78 2.1-3.5 8282/8733=17, ~8470=15...(14) QG2 ILE 15 + HG12 ILE 15 OK 35 36 100 98 2.1-3.1 3.2=72, 658/2.1=36...(23) QD1 ILE 15 + HD3 LYS 12 OK 31 98 40 80 2.3-4.3 8468/3.0=25...(14) QD1 ILE 15 + HD2 LYS 12 OK 30 98 40 78 2.3-5.2 8468/3.0=25...(11) QG2 ILE 15 - HD3 LYS 12 far 0 63 0 - 3.3-6.5 QG2 ILE 15 - HD2 LYS 12 far 0 63 0 - 4.2-5.6 HG13 ILE 15 - HD2 LYS 12 far 0 94 0 - 4.9-8.1 HG13 ILE 15 - HD3 LYS 12 far 0 94 0 - 5.0-6.9 QD1 ILE 93 - HD3 LYS 90 far 0 67 0 - 5.0-6.2 QG2 ILE 15 - HD3 LYS 20 far 0 34 0 - 5.7-8.3 QG2 ILE 8 - HG12 ILE 15 far 0 62 0 - 6.1-6.9 QG2 ILE 93 - HD3 LYS 24 far 0 78 0 - 6.1-8.3 QD1 ILE 93 - HB3 ARG 91 far 0 76 0 - 6.1-7.2 QG2 ILE 15 - HD2 LYS 20 far 0 39 0 - 6.1-7.2 QG2 ILE 93 - HD2 LYS 24 far 0 78 0 - 6.4-7.7 QD1 ILE 93 - HD3 LYS 20 far 0 65 0 - 6.4-8.7 QD1 ILE 93 - HD3 LYS 24 far 0 92 0 - 6.5-9.4 QG2 ILE 7 - HD3 LYS 12 far 0 84 0 - 6.5-8.8 QD1 ILE 93 - HD2 LYS 20 far 0 72 0 - 6.7-8.6 QD2 LEU 2 - HD3 LYS 47 far 0 41 0 - 6.7-9.8 QD1 ILE 76 - HD2 LYS 47 far 0 51 0 - 6.7-9.6 QG2 ILE 7 - HD2 LYS 12 far 0 84 0 - 6.8-8.5 HG13 ILE 93 - HB3 ARG 91 far 0 53 0 - 6.9-7.6 QG2 ILE 52 - HD2 LYS 47 far 0 71 0 - 7.0-8.9 QD1 ILE 76 - HD3 LYS 47 far 0 53 0 - 7.0-9.0 QD1 ILE 15 - HD2 LYS 13 far 0 92 0 - 7.1-8.9 QG2 ILE 52 - HD3 LYS 47 far 0 73 0 - 7.1-8.9 QD1 ILE 93 - HD2 LYS 24 far 0 92 0 - 7.1-8.9 QD2 LEU 2 - HD2 LYS 47 far 0 40 0 - 7.3-10.7 QD1 ILE 15 - HD3 LYS 13 far 0 92 0 - 7.3-8.6 QD2 LEU 57 - HB3 ARG 91 far 0 61 0 - 7.5-7.9 QD1 ILE 93 - HG12 ILE 15 far 0 68 0 - 7.7-8.2 QG2 ILE 15 - HD2 LYS 13 far 0 57 0 - 7.7-9.9 HG13 ILE 93 - HD3 LYS 90 far 0 46 0 - 7.7-8.6 QG2 ILE 93 - HB3 ARG 91 far 0 63 0 - 7.7-8.0 QG2 ILE 93 - HD3 LYS 90 far 0 54 0 - 7.8-8.2 QG2 ILE 15 - HD3 LYS 13 far 0 57 0 - 7.9-9.8 QG2 ILE 7 - HD3 LYS 20 far 0 48 0 - 7.9-10.5 QD1 LEU 27 - HD3 LYS 24 far 0 92 0 - 8.0-10.2 QG2 ILE 93 - HD3 LYS 20 far 0 52 0 - 8.1-10.0 QD1 ILE 15 - HD2 LYS 20 far 0 68 0 - 8.3-9.4 QD2 LEU 57 - HG12 ILE 15 far 0 54 0 - 8.3-9.9 QG2 ILE 7 - HD2 LYS 20 far 0 54 0 - 8.3-9.6 QD1 ILE 15 - HD3 LYS 20 far 0 60 0 - 8.3-10.5 HG3 ARG 81 - HB3 ARG 91 far 0 47 0 - 8.4-9.2 QD1 LEU 27 - HD2 LYS 24 far 0 91 0 - 8.4-10.1 QG2 ILE 15 - HD3 LYS 90 far 0 35 0 - 8.5-10.8 QG2 ILE 93 - HD2 LYS 20 far 0 59 0 - 8.5-10.1 HG13 ILE 15 - HD2 LYS 13 far 0 87 0 - 8.5-10.8 HG13 ILE 15 - HD3 LYS 13 far 0 87 0 - 8.7-10.4 QG2 ILE 7 - HD3 LYS 90 far 0 49 0 - 8.8-11.1 QD2 LEU 42 - HD2 LYS 47 far 0 71 0 - 8.8-10.5 QD2 LEU 42 - HD3 LYS 47 far 0 73 0 - 8.9-9.9 QG2 ILE 8 - HD2 LYS 12 far 0 97 0 - 9.0-12.2 HG13 ILE 15 - HD2 LYS 20 far 0 63 0 - 9.1-10.6 QG2 ILE 8 - HD3 LYS 12 far 0 97 0 - 9.3-11.9 QD2 LEU 57 - HD3 LYS 90 far 0 53 0 - 9.3-11.0 HG13 ILE 15 - HD3 LYS 20 far 0 56 0 - 9.5-11.9 HG13 ILE 15 - HD3 LYS 90 far 0 58 0 - 9.5-12.5 HG13 ILE 93 - HD3 LYS 24 far 0 67 0 - 9.6-12.6 QD1 ILE 15 - HD3 LYS 90 far 0 62 0 - 9.8-12.2 QD1 LEU 6 - HG12 ILE 15 far 0 68 0 - 9.8-11.2 QG1 VAL 54 - HD3 LYS 47 far 0 71 0 - 9.9-11.7 QD1 LEU 6 - HD3 LYS 47 far 0 74 0 - 9.9-11.2 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 = 0.97: QD1 ILE 15 + HE2 LYS 12 OK 94 95 100 99 2.0-5.3 8468/463=67, 8381/460=64...(12) QG2 ILE 15 + HE2 LYS 12 OK 31 71 50 85 3.3-7.0 10121/460=36...(12) QD1 ILE 15 + HE2 LYS 33 OK 23 86 80 34 3.9-5.6 8447/8729=19...(4) QG2 ILE 15 - HE2 LYS 33 poor 13 63 20 - 5.1-6.6 QD1 ILE 15 - HE3 LYS 33 poor 12 86 45 31 3.6-6.7 8447/8729=17...(4) QG2 ILE 15 - HE3 LYS 33 far 6 63 10 - 5.2-7.4 HG13 ILE 15 - HE2 LYS 12 far 4 90 5 - 4.8-8.4 QG2 ILE 8 - HE2 LYS 33 far 0 92 0 - 5.7-8.5 QG2 ILE 7 - HE3 LYS 33 far 0 81 0 - 5.7-7.9 QG2 ILE 7 - HE2 LYS 33 far 0 81 0 - 5.9-7.5 HG13 ILE 15 - HE3 LYS 33 far 0 81 0 - 6.0-9.9 QG2 ILE 7 - HE2 LYS 12 far 0 90 0 - 6.0-9.5 HG13 ILE 15 - HE2 LYS 33 far 0 81 0 - 6.4-8.8 QG2 ILE 8 - HE3 LYS 33 far 0 92 0 - 6.5-8.7 QG2 ILE 8 - HE2 LYS 12 far 0 99 0 - 9.4-11.5 QD1 LEU 6 - HE2 LYS 33 far 0 94 0 - 9.9-11.6 QD1 LEU 6 - HE3 LYS 33 far 0 94 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 10393 from cnoeabs.peaks (0.76, 2.96, 41.80 ppm; 4.79 A): 1 out of 36 assignments used, quality = 0.98: QD1 ILE 15 + HE3 LYS 12 OK 98 100 100 98 2.6-4.9 8468/4.0=62...(11) HG13 ILE 15 - HE3 LYS 12 far 5 99 5 - 4.5-8.0 QD1 ILE 93 - HE3 LYS 90 far 0 59 0 - 5.7-6.7 QG2 ILE 7 - HE3 LYS 12 far 0 68 0 - 5.9-9.2 QD1 ILE 76 - HE3 LYS 73 far 0 47 0 - 6.2-10.5 QG2 ILE 93 - HE3 LYS 24 far 0 97 0 - 6.2-9.1 QG2 ILE 93 - HE2 LYS 24 far 0 97 0 - 6.6-9.3 QD1 ILE 93 - HE3 LYS 24 far 0 100 0 - 6.7-10.1 QD1 ILE 15 - HE3 LYS 13 far 0 99 0 - 7.0-9.5 QG2 ILE 52 - HE2 LYS 47 far 0 93 0 - 7.2-9.7 QG2 ILE 52 - HE3 LYS 47 far 0 93 0 - 7.3-9.5 QD1 ILE 93 - HE2 LYS 24 far 0 100 0 - 7.4-10.4 QD1 ILE 76 - HE2 LYS 73 far 0 54 0 - 7.5-10.4 QD1 ILE 76 - HE3 LYS 47 far 0 60 0 - 7.6-10.3 QG2 ILE 93 - HE3 LYS 90 far 0 56 0 - 7.6-8.6 QD1 ILE 15 - HE2 LYS 13 far 0 99 0 - 7.7-9.9 QD2 LEU 42 - HE3 LYS 73 far 0 85 0 - 7.7-11.4 QD1 ILE 76 - HE2 LYS 47 far 0 60 0 - 7.9-10.6 HG13 ILE 15 - HE3 LYS 13 far 0 98 0 - 8.3-11.6 HG13 ILE 93 - HE3 LYS 90 far 0 50 0 - 8.4-9.9 QD1 LEU 27 - HE3 LYS 24 far 0 100 0 - 8.5-11.0 QD2 LEU 42 - HE2 LYS 73 far 0 93 0 - 8.5-11.5 QD2 LEU 42 - HE2 LYS 47 far 0 98 0 - 8.6-11.5 HG13 ILE 15 - HE2 LYS 13 far 0 98 0 - 8.6-12.2 QD1 LEU 27 - HE2 LYS 24 far 0 100 0 - 8.9-11.2 QD2 LEU 42 - HE3 LYS 47 far 0 98 0 - 9.2-11.3 QG1 VAL 78 - HE3 LYS 73 far 0 75 0 - 9.2-12.1 QD2 LEU 27 - HE3 LYS 24 far 0 69 0 - 9.3-12.1 QG2 ILE 8 - HE3 LYS 12 far 0 88 0 - 9.4-12.1 QD1 LEU 6 - HE2 LYS 47 far 0 97 0 - 9.6-12.7 QG1 VAL 78 - HE2 LYS 73 far 0 84 0 - 9.7-12.0 QG1 VAL 54 - HE2 LYS 47 far 0 98 0 - 9.7-12.9 QD1 ILE 93 - HE3 LYS 12 far 0 100 0 - 9.8-13.8 HG13 ILE 93 - HE3 LYS 24 far 0 91 0 - 9.8-13.7 QG2 ILE 7 - HE3 LYS 90 far 0 33 0 - 9.9-11.1 QG1 VAL 5 - HE3 LYS 90 far 0 31 0 - 9.9-10.7 Violated in 1 structures by 0.00 A. Peak 10394 from cnoeabs.peaks (0.80, 1.43, 25.00 ppm; 5.08 A increased from 4.78 A): 1 out of 8 assignments used, quality = 0.90: QG2 ILE 15 + HG2 LYS 12 OK 90 91 100 99 4.0-5.1 680/8468=81...(14) QD1 ILE 93 - HG2 LYS 20 far 5 35 15 - 5.2-8.6 QG2 ILE 15 - HG2 LYS 20 far 0 62 0 - 6.6-7.9 QG2 ILE 7 - HG2 LYS 12 far 0 91 0 - 7.0-7.7 QG2 ILE 15 - HG2 LYS 13 far 0 100 0 - 7.7-9.1 QG2 ILE 7 - HG2 LYS 20 far 0 61 0 - 8.1-10.0 QD1 LEU 27 - HG2 LYS 20 far 0 34 0 - 9.5-12.0 QG2 ILE 8 - HG2 LYS 12 far 0 82 0 - 9.7-10.8 Violated in 2 structures by 0.00 A. Peak 10395 from cnoeabs.peaks (0.80, 1.50, 25.00 ppm; 4.28 A increased from 4.03 A): 1 out of 28 assignments used, quality = 0.87: QD2 LEU 70 + HG2 LYS 73 OK 87 99 100 88 3.5-4.0 3130/10813=54...(6) QG2 ILE 52 - HG3 LYS 53 far 0 48 0 - 4.8-5.5 QG2 ILE 8 - HG3 LYS 33 far 0 89 0 - 4.9-5.9 QG2 VAL 32 - HG3 LYS 33 far 0 66 0 - 5.3-5.5 QD1 LEU 70 - HG2 LYS 73 far 0 95 0 - 5.6-6.1 QG2 ILE 7 - HG3 LYS 33 far 0 94 0 - 5.8-6.1 QG2 ILE 52 - HG2 LYS 47 far 0 88 0 - 6.1-7.5 QG2 ILE 15 - HG3 LYS 33 far 0 92 0 - 6.1-6.7 QD1 ILE 76 - HG2 LYS 47 far 0 99 0 - 6.2-8.2 QD1 ILE 76 - HG2 LYS 73 far 0 100 0 - 6.4-7.8 QD2 LEU 2 - HG3 LYS 53 far 0 58 0 - 6.5-7.4 QD1 LEU 27 - HG3 LYS 53 far 0 37 0 - 6.8-7.8 QD2 LEU 103 - HG3 LYS 53 far 0 44 0 - 6.9-10.7 QD2 LEU 38 - HG3 LYS 33 far 0 80 0 - 6.9-7.3 QD1 ILE 93 - HG3 LYS 24 far 0 69 0 - 6.9-9.6 QD1 LEU 27 - HG3 LYS 24 far 0 67 0 - 7.0-9.4 QD2 LEU 2 - HG2 LYS 47 far 0 98 0 - 7.1-9.9 QG1 VAL 54 - HG3 LYS 53 far 0 29 0 - 7.6-7.8 QD2 LEU 42 - HG2 LYS 73 far 0 68 0 - 7.6-8.6 QG2 ILE 15 - HG3 LYS 13 far 0 99 0 - 7.7-8.2 QD2 LEU 42 - HG2 LYS 47 far 0 68 0 - 7.8-9.3 QD1 LEU 6 - HG3 LYS 33 far 0 68 0 - 8.7-9.2 QD2 LEU 42 - HG3 LYS 53 far 0 35 0 - 8.8-9.7 QD1 ILE 76 - HG3 LYS 53 far 0 60 0 - 9.3-10.4 QG1 VAL 54 - HG2 LYS 47 far 0 58 0 - 9.4-10.8 QD1 LEU 6 - HG2 LYS 47 far 0 75 0 - 9.5-10.7 QD2 LEU 38 - HG2 LYS 73 far 0 88 0 - 9.6-10.6 QG2 ILE 7 - HG3 LYS 13 far 0 100 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 10396 from cnoeabs.peaks (0.76, 1.70, 28.93 ppm; 3.91 A increased from 3.68 A): 2 out of 56 assignments used, quality = 0.94: QD1 ILE 15 + HD3 LYS 12 OK 84 96 90 98 2.3-4.3 8468/3.0=52...(16) QD1 ILE 15 + HD2 LYS 12 OK 61 96 65 97 2.3-5.2 8468/3.0=52...(15) QD1 ILE 15 - HD3 LYS 33 far 0 49 0 - 4.8-6.4 HG13 ILE 15 - HD2 LYS 12 far 0 94 0 - 4.9-8.1 HG13 ILE 15 - HD3 LYS 12 far 0 94 0 - 5.0-6.9 QD1 ILE 15 - HD2 LYS 33 far 0 49 0 - 5.6-6.9 QG2 ILE 93 - HD3 LYS 24 far 0 97 0 - 6.1-8.3 QD1 ILE 93 - HB3 ARG 91 far 0 53 0 - 6.1-7.2 QG2 ILE 8 - HD3 LYS 33 far 0 39 0 - 6.2-7.2 QG2 ILE 93 - HD2 LYS 24 far 0 96 0 - 6.4-7.7 QD1 ILE 93 - HD3 LYS 20 far 0 50 0 - 6.4-8.7 QD1 ILE 93 - HD3 LYS 24 far 0 99 0 - 6.5-9.4 QG2 ILE 7 - HD3 LYS 12 far 0 61 0 - 6.5-8.8 QD1 ILE 93 - HD2 LYS 20 far 0 56 0 - 6.7-8.6 QD1 ILE 76 - HD2 LYS 47 far 0 25 0 - 6.7-9.6 QG2 ILE 7 - HD2 LYS 12 far 0 61 0 - 6.8-8.5 HG13 ILE 93 - HB3 ARG 91 far 0 45 0 - 6.9-7.6 QG2 ILE 7 - HD3 LYS 33 far 0 27 0 - 6.9-8.1 QG2 ILE 52 - HD2 LYS 47 far 0 45 0 - 7.0-8.9 QD1 ILE 76 - HD3 LYS 47 far 0 26 0 - 7.0-9.0 QD1 ILE 15 - HD2 LYS 13 far 0 100 0 - 7.1-8.9 QG2 ILE 8 - HD2 LYS 33 far 0 39 0 - 7.1-8.1 QG2 ILE 52 - HD3 LYS 47 far 0 47 0 - 7.1-8.9 QD1 ILE 93 - HD2 LYS 24 far 0 99 0 - 7.1-8.9 QG2 ILE 7 - HD2 LYS 33 far 0 27 0 - 7.3-8.4 QD1 ILE 15 - HD3 LYS 13 far 0 100 0 - 7.3-8.6 QD2 LEU 57 - HB3 ARG 91 far 0 33 0 - 7.5-7.9 QG2 ILE 93 - HB3 ARG 91 far 0 50 0 - 7.7-8.0 HG13 ILE 15 - HD3 LYS 33 far 0 48 0 - 7.8-9.6 QG2 ILE 7 - HD3 LYS 20 far 0 28 0 - 7.9-10.5 QD1 LEU 27 - HD3 LYS 24 far 0 99 0 - 8.0-10.2 QG2 ILE 93 - HD3 LYS 20 far 0 47 0 - 8.1-10.0 HG13 ILE 15 - HD2 LYS 33 far 0 48 0 - 8.2-10.3 QD1 ILE 15 - HD2 LYS 20 far 0 57 0 - 8.3-9.4 QG2 ILE 7 - HD2 LYS 20 far 0 32 0 - 8.3-9.6 QD1 ILE 15 - HD3 LYS 20 far 0 50 0 - 8.3-10.5 HG3 ARG 81 - HB3 ARG 91 far 0 41 0 - 8.4-9.2 QD1 LEU 27 - HD2 LYS 24 far 0 99 0 - 8.4-10.1 QG2 ILE 93 - HD2 LYS 20 far 0 53 0 - 8.5-10.1 HG13 ILE 15 - HD2 LYS 13 far 0 99 0 - 8.5-10.8 HG13 ILE 15 - HD3 LYS 13 far 0 99 0 - 8.7-10.4 QG1 VAL 5 - HB3 ARG 91 far 0 28 0 - 8.7-9.4 QD2 LEU 42 - HD2 LYS 47 far 0 50 0 - 8.8-10.5 QD2 LEU 42 - HD3 LYS 47 far 0 52 0 - 8.9-9.9 QG2 ILE 8 - HD2 LYS 12 far 0 81 0 - 9.0-12.2 QD2 LEU 27 - HD3 LYS 24 far 0 68 0 - 9.1-11.2 HG13 ILE 15 - HD2 LYS 20 far 0 55 0 - 9.1-10.6 QD2 LEU 27 - HD2 LYS 24 far 0 68 0 - 9.2-11.1 QG2 ILE 8 - HD3 LYS 12 far 0 81 0 - 9.3-11.9 HG13 ILE 15 - HD3 LYS 20 far 0 49 0 - 9.5-11.9 HG13 ILE 93 - HD3 LYS 24 far 0 91 0 - 9.6-12.6 QG1 VAL 5 - HD3 LYS 20 far 0 26 0 - 9.7-11.8 QG1 VAL 5 - HD2 LYS 20 far 0 29 0 - 9.9-11.6 QG1 VAL 54 - HD3 LYS 47 far 0 52 0 - 9.9-11.7 QD1 LEU 6 - HD3 LYS 47 far 0 51 0 - 9.9-11.2 QG1 VAL 5 - HD3 LYS 24 far 0 62 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 10398 from cnoeabs.peaks (0.80, 1.35, 28.11 ppm; 5.81 A increased from 4.89 A): 3 out of 6 assignments used, quality = 1.00: QG2 ILE 7 + HG LEU 14 OK 100 100 100 100 5.3-6.0 3.0/11079=88, ~10272=81...(10) QG2 ILE 15 + HG LEU 14 OK 89 99 90 100 5.7-6.2 6218/6213=82, ~12020=75...(16) QD1 LEU 57 + HG LEU 14 OK 57 82 85 81 5.9-6.8 9926/8404=55...(4) QD1 ILE 93 - HG LEU 14 poor 16 75 70 31 5.8-6.3 11003/10410=29 QD2 LEU 57 - HG LEU 14 far 0 100 0 - 7.4-8.3 QG2 ILE 8 - HG LEU 14 far 0 97 0 - 8.2-8.8 Violated in 0 structures by 0.00 A. Peak 10399 from cnoeabs.peaks (0.98, 1.35, 28.11 ppm; 5.34 A): 1 out of 3 assignments used, quality = 0.96: QG2 VAL 83 + HG LEU 14 OK 96 96 100 100 4.1-4.7 10402/2.1=100...(11) QG1 VAL 83 - HG LEU 14 far 0 75 0 - 6.0-6.4 QG2 VAL 5 - HG LEU 14 far 0 71 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 10400 from cnoeabs.peaks (2.10, 1.35, 28.11 ppm; 4.76 A): 2 out of 7 assignments used, quality = 0.99: HB2 PRO 86 + HG LEU 14 OK 97 97 100 100 3.3-3.9 2.3/8407=90, ~8411=65...(30) HB3 PRO 86 + HG LEU 14 OK 80 100 80 100 4.7-5.3 2.3/8407=90, ~8411=65...(31) HB VAL 83 - HG LEU 14 far 0 100 0 - 5.5-6.0 HB2 GLU 16 - HG LEU 14 far 0 77 0 - 7.1-8.2 HG2 GLU 88 - HG LEU 14 far 0 65 0 - 7.1-9.2 HB3 GLU 88 - HG LEU 14 far 0 81 0 - 7.4-8.3 QE MET 21 - HG LEU 14 far 0 100 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 10401 from cnoeabs.peaks (0.80, 1.52, 41.23 ppm; 3.27 A): 1 out of 19 assignments used, quality = 0.91: QG2 ILE 7 + HB ILE 7 OK 91 91 100 100 2.1-2.1 2.1=100 QG2 ILE 15 - HB ILE 7 far 0 85 0 - 4.1-4.8 QD2 LEU 57 - HB ILE 7 far 0 91 0 - 4.1-6.0 QD1 ILE 93 - HB ILE 7 far 0 71 0 - 4.4-5.0 QD1 ILE 15 - HB2 LEU 14 far 0 65 0 - 5.5-5.9 QD1 LEU 57 - HB ILE 7 far 0 61 0 - 5.8-6.2 QD1 ILE 15 - HB ILE 7 far 0 54 0 - 5.9-6.6 QG2 VAL 32 - HB ILE 7 far 0 54 0 - 6.2-6.5 QG2 ILE 15 - HB2 LEU 14 far 0 97 0 - 6.7-6.9 QG2 ILE 7 - HB2 LEU 14 far 0 100 0 - 6.8-7.3 QG2 ILE 8 - HB ILE 7 far 0 89 0 - 6.9-7.0 QD2 LEU 38 - HB ILE 7 far 0 69 0 - 6.9-7.3 QG1 VAL 54 - HB ILE 7 far 0 58 0 - 7.2-7.8 QD1 LEU 6 - HB ILE 7 far 0 72 0 - 7.2-7.3 QD1 LEU 57 - HB2 LEU 14 far 0 73 0 - 7.9-8.8 QD1 ILE 93 - HB2 LEU 14 far 0 84 0 - 8.1-8.5 QG2 ILE 8 - HB2 LEU 14 far 0 99 0 - 8.7-9.3 QD1 LEU 27 - HB ILE 7 far 0 69 0 - 8.9-9.3 QD2 LEU 57 - HB2 LEU 14 far 0 100 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 10402 from cnoeabs.peaks (0.98, 0.68, 25.64 ppm; 3.27 A increased from 3.07 A): 1 out of 8 assignments used, quality = 0.96: QG2 VAL 83 + QD1 LEU 14 OK 96 98 100 98 2.6-3.1 10403/2.1=57...(14) QG1 VAL 83 - QD1 LEU 14 far 0 68 0 - 4.5-4.7 QG2 THR 80 - QD1 LEU 42 far 0 96 0 - 5.5-6.2 QG2 VAL 5 - QD1 LEU 14 far 0 79 0 - 9.2-9.8 QG2 VAL 5 - QD1 LEU 42 far 0 72 0 - 9.3-9.7 QG2 THR 80 - QD1 LEU 14 far 0 100 0 - 9.3-9.8 HG LEU 55 - QD1 LEU 14 far 0 99 0 - 9.3-9.6 HG LEU 55 - QD1 LEU 42 far 0 94 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 10403 from cnoeabs.peaks (0.98, 0.71, 24.35 ppm; 3.57 A increased from 3.17 A): 1 out of 10 assignments used, quality = 0.94: QG2 VAL 83 + QD2 LEU 14 OK 94 96 100 99 3.4-3.5 10402/2.1=75, 9806=43...(16) QG1 VAL 83 - QD2 LEU 14 far 0 75 0 - 5.4-5.5 QG2 VAL 5 - QD2 LEU 6 far 0 44 0 - 5.7-6.2 QG2 THR 80 - QD2 LEU 6 far 0 72 0 - 7.2-7.5 HG LEU 55 - QD2 LEU 6 far 0 66 0 - 7.5-8.3 QG2 VAL 5 - QD2 LEU 14 far 0 71 0 - 8.3-8.8 HG LEU 55 - QD2 LEU 14 far 0 96 0 - 8.3-9.2 QG2 THR 80 - QD2 LEU 14 far 0 100 0 - 8.6-9.1 QG2 VAL 83 - QD2 LEU 6 far 0 65 0 - 8.7-8.9 QG1 VAL 83 - QD2 LEU 6 far 0 47 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 10404 from cnoeabs.peaks (1.71, 0.68, 25.64 ppm; 3.51 A): 1 out of 21 assignments used, quality = 0.94: HB3 LEU 70 + QD1 LEU 42 OK 94 95 100 99 2.7-3.4 9544=90, 1.8/9543=62...(8) HG2 PRO 86 - QD1 LEU 14 far 0 96 0 - 4.1-4.9 HG LEU 70 - QD1 LEU 42 far 0 95 0 - 4.9-5.7 HG12 ILE 15 - QD1 LEU 14 far 0 97 0 - 5.0-6.7 HD3 LYS 90 - QD1 LEU 14 far 0 99 0 - 5.7-8.0 HD2 LYS 90 - QD1 LEU 14 far 0 73 0 - 6.3-7.3 HB ILE 15 - QD1 LEU 14 far 0 90 0 - 6.7-6.9 HD2 LYS 13 - QD1 LEU 14 far 0 100 0 - 7.0-8.8 HB3 LYS 40 - QD1 LEU 42 far 0 80 0 - 7.0-7.6 HD3 LYS 13 - QD1 LEU 14 far 0 100 0 - 7.1-9.0 HD3 LYS 66 - QD1 LEU 42 far 0 96 0 - 8.0-9.1 HB3 ARG 91 - QD1 LEU 14 far 0 85 0 - 8.2-8.8 HD3 LYS 12 - QD1 LEU 14 far 0 100 0 - 8.3-9.9 HD2 LYS 12 - QD1 LEU 14 far 0 100 0 - 8.5-10.6 HD2 LYS 20 - QD1 LEU 14 far 0 77 0 - 9.0-10.4 HD3 LYS 20 - QD1 LEU 14 far 0 71 0 - 9.0-11.1 HD2 ARG 81 - QD1 LEU 14 far 0 94 0 - 9.1-11.4 HG3 LYS 20 - QD1 LEU 14 far 0 71 0 - 9.6-11.4 HD3 LYS 47 - QD1 LEU 42 far 0 77 0 - 9.7-11.2 HD2 LYS 47 - QD1 LEU 42 far 0 76 0 - 9.9-11.7 HB ILE 52 - QD1 LEU 42 far 0 58 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 10405 from cnoeabs.peaks (2.12, 0.68, 25.64 ppm; 3.78 A increased from 3.56 A): 2 out of 14 assignments used, quality = 1.00: HB2 PRO 86 + QD1 LEU 14 OK 100 100 100 100 3.3-3.7 2.3/8411=73, ~8407=39...(35) HB VAL 83 + QD1 LEU 14 OK 100 100 100 100 3.5-4.0 9805=86, 2.1/10402=81...(11) HB3 PRO 86 - QD1 LEU 14 far 0 99 0 - 4.3-4.8 HG2 GLU 88 - QD1 LEU 14 far 0 84 0 - 4.9-7.0 HB3 GLU 88 - QD1 LEU 14 far 0 61 0 - 5.6-6.2 HB2 GLU 69 - QD1 LEU 42 far 0 94 0 - 6.8-7.3 HB3 GLU 69 - QD1 LEU 42 far 0 94 0 - 7.0-7.6 HB3 GLU 35 - QD1 LEU 42 far 0 61 0 - 7.3-8.0 HB3 GLU 37 - QD1 LEU 42 far 0 94 0 - 7.5-8.1 HG2 GLU 69 - QD1 LEU 42 far 0 94 0 - 8.4-8.9 HB2 GLU 75 - QD1 LEU 42 far 0 86 0 - 8.7-9.2 HG3 GLU 37 - QD1 LEU 42 far 0 96 0 - 8.9-9.4 HG2 GLU 44 - QD1 LEU 42 far 0 87 0 - 9.1-9.4 QE MET 21 - QD1 LEU 14 far 0 95 0 - 9.3-9.8 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 21 assignments used, quality = 0.98: HG12 ILE 15 + QD2 LEU 14 OK 97 99 100 98 2.5-4.1 4.1/12020=49...(17) HB3 LEU 6 + QD2 LEU 6 OK 40 40 100 100 2.3-2.4 3.1=100 HB2 LYS 40 - QD2 LEU 6 far 0 37 0 - 6.0-7.0 HG2 PRO 86 - QD2 LEU 14 far 0 99 0 - 6.1-7.0 HD3 LYS 12 - QD2 LEU 14 far 0 96 0 - 6.5-8.2 HD2 LYS 12 - QD2 LEU 14 far 0 96 0 - 6.7-8.9 HD3 LYS 90 - QD2 LEU 14 far 0 98 0 - 6.7-9.3 HB3 LYS 40 - QD2 LEU 6 far 0 72 0 - 7.5-7.9 HD2 LYS 13 - QD2 LEU 14 far 0 96 0 - 7.8-9.3 HG12 ILE 15 - QD2 LEU 6 far 0 70 0 - 7.9-9.4 HD3 LYS 13 - QD2 LEU 14 far 0 94 0 - 8.0-9.3 HB3 LEU 6 - QD2 LEU 14 far 0 65 0 - 8.4-8.9 HD2 LYS 20 - QD2 LEU 14 far 0 100 0 - 8.4-10.0 HD3 LYS 20 - QD2 LEU 14 far 0 99 0 - 8.7-10.9 HB3 LEU 70 - QD2 LEU 6 far 0 47 0 - 8.7-9.3 HG3 LYS 20 - QD2 LEU 14 far 0 99 0 - 9.0-10.9 HB3 ARG 91 - QD2 LEU 14 far 0 100 0 - 9.4-10.2 HB3 ARG 79 - QD2 LEU 6 far 0 49 0 - 9.9-11.1 HB3 LYS 53 - QD2 LEU 6 far 0 72 0 - 9.9-10.6 HD2 LYS 39 - QD2 LEU 6 far 0 49 0 - 9.9-10.3 HG LEU 70 - QD2 LEU 6 far 0 67 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 10407 from cnoeabs.peaks (2.10, 0.71, 24.35 ppm; 5.08 A increased from 4.27 A): 4 out of 14 assignments used, quality = 0.99: HB VAL 83 + QD2 LEU 14 OK 91 96 95 100 5.0-5.5 2.1/10403=99...(9) HB2 PRO 86 + QD2 LEU 14 OK 88 88 100 100 4.8-5.1 2.3/8412=83, ~8411=73...(33) HB3 GLU 37 + QD2 LEU 6 OK 33 50 100 65 4.6-5.2 8880/8870=26...(6) HB3 LEU 38 + QD2 LEU 6 OK 28 56 55 90 5.1-6.1 ~12070=31, ~12071=22...(13) HB3 PRO 86 - QD2 LEU 14 far 0 99 0 - 5.9-6.4 HG3 GLU 37 - QD2 LEU 6 far 0 67 0 - 6.2-7.5 HB2 GLU 16 - QD2 LEU 14 far 0 91 0 - 6.8-7.7 HG2 GLU 28 - QD2 LEU 6 far 0 44 0 - 7.0-8.7 HG3 GLU 28 - QD2 LEU 6 far 0 44 0 - 7.0-8.9 HB3 GLU 88 - QD2 LEU 14 far 0 93 0 - 7.0-7.8 HG2 GLU 44 - QD2 LEU 6 far 0 37 0 - 7.4-7.8 HB3 GLU 43 - QD2 LEU 6 far 0 46 0 - 8.2-8.6 QE MET 21 - QD2 LEU 14 far 0 100 0 - 9.1-9.7 HB3 GLU 35 - QD2 LEU 6 far 0 65 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 10408 from cnoeabs.peaks (3.91, 0.71, 24.35 ppm; 3.83 A): 2 out of 10 assignments used, quality = 0.97: HB3 SER 9 + QD2 LEU 14 OK 96 96 100 100 1.9-2.3 1.8/8414=79, 8330=62...(22) HA LEU 38 + QD2 LEU 6 OK 25 39 100 64 3.3-3.8 10697/2.1=17...(9) HA TYR 41 - QD2 LEU 6 far 0 65 0 - 4.4-4.7 HA ALA 89 - QD2 LEU 14 far 0 99 0 - 5.6-6.3 HB2 SER 85 - QD2 LEU 14 far 0 99 0 - 6.9-7.2 HA GLU 35 - QD2 LEU 6 far 0 56 0 - 7.6-8.1 HA GLU 44 - QD2 LEU 6 far 0 54 0 - 8.9-9.2 HA GLU 43 - QD2 LEU 6 far 0 51 0 - 9.1-9.3 HB3 SER 9 - QD2 LEU 6 far 0 66 0 - 9.2-9.8 HA GLU 63 - QD2 LEU 6 far 0 72 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 10409 from cnoeabs.peaks (3.92, 0.68, 25.64 ppm; 4.61 A increased from 4.09 A): 2 out of 8 assignments used, quality = 1.00: HB3 SER 9 + QD1 LEU 14 OK 100 100 100 100 3.8-4.6 ~8414=68, 10408/2.1=67...(16) HB2 SER 85 + QD1 LEU 14 OK 89 90 100 100 4.5-4.7 3.0/8424=71, 1.8/9876=63...(14) HA ALA 89 - QD1 LEU 14 far 0 87 0 - 5.0-5.6 HA GLU 35 - QD1 LEU 42 far 0 56 0 - 6.1-6.6 HA TYR 41 - QD1 LEU 42 far 0 96 0 - 6.3-6.5 HA GLU 44 - QD1 LEU 42 far 0 93 0 - 8.6-8.8 HA GLU 63 - QD1 LEU 42 far 0 94 0 - 8.8-9.3 HA ARG 91 - QD1 LEU 14 far 0 63 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 10410 from cnoeabs.peaks (8.65, 1.35, 28.11 ppm; 6.05 A): 1 out of 3 assignments used, quality = 1.00: H ALA 18 + HG LEU 14 OK 100 100 100 100 4.5-4.9 6262/587=84, ~12013=75...(11) H ASP 11 - HG LEU 14 far 0 94 0 - 6.4-6.7 H ASN 10 - HG LEU 14 far 0 97 0 - 7.2-7.5 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 = 0.99: H SER 9 + QD2 LEU 14 OK 98 98 100 100 4.3-4.5 6107=97, 2.9/8317=77...(12) H TYR 41 + QD2 LEU 6 OK 55 55 100 100 4.4-4.7 8869/2.1=66, 4.0/8874=59...(12) HE ARG 30 + QD2 LEU 6 OK 41 70 60 98 3.4-5.7 2.9/8722=62, 5.0/8717=49...(10) H SER 9 - QD2 LEU 6 far 0 67 0 - 7.5-7.7 H LYS 20 - QD2 LEU 14 far 0 100 0 - 8.1-8.7 H GLU 28 - QD2 LEU 6 far 0 72 0 - 8.2-8.6 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 2.6-3.1 3.0/8424=61...(18) H ASN 60 - QD1 LEU 14 far 0 71 0 - 7.2-7.7 H MET 21 - QD1 LEU 14 far 0 98 0 - 9.2-9.9 H SER 49 - QD1 LEU 42 far 0 74 0 - 9.5-10.3 H LEU 64 - QD1 LEU 42 far 0 86 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 10414 from cnoeabs.peaks (8.27, 0.69, 25.64 ppm; 4.71 A): 1 out of 2 assignments used, quality = 1.00: H ALA 71 + QD1 LEU 42 OK 100 100 100 100 2.9-3.4 7165/12014=84...(22) H PHE 45 - QD1 LEU 42 far 0 100 0 - 6.3-6.6 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 3.6-4.0 8504=79, 6278/8530=63...(15) H LEU 57 - QG2 ILE 8 far 0 42 0 - 5.8-6.2 H LEU 57 - QG2 ILE 15 far 0 70 0 - 8.0-8.8 H VAL 5 - QG2 ILE 15 far 0 88 0 - 9.0-9.8 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 3 assignments used, quality = 0.98: HB3 SER 9 + QD1 ILE 15 OK 98 98 100 100 2.6-4.8 ~8320=64, ~8444=63...(21) HD3 PRO 86 - QD1 ILE 15 far 0 59 0 - 8.2-8.7 HA ALA 89 - QD1 ILE 15 far 0 63 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 10419 from cnoeabs.peaks (1.42, 3.26, 65.94 ppm; 5.56 A): 1 out of 6 assignments used, quality = 1.00: HG12 ILE 7 + HA ILE 15 OK 100 100 100 100 4.5-4.7 2.1/8459=100...(11) HG2 LYS 12 - HA ILE 15 far 0 85 0 - 6.7-7.5 HG LEU 29 - HA ILE 15 far 0 96 0 - 6.9-7.7 QB ALA 22 - HA ILE 15 far 0 96 0 - 7.1-7.8 HG2 LYS 20 - HA ILE 15 far 0 63 0 - 7.2-9.9 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): 1 out of 14 assignments used, quality = 0.90: QD1 LEU 70 + HB3 GLU 35 OK 90 92 100 98 3.1-4.0 10609/3.0=66...(10) QD2 LEU 70 - HB3 GLU 35 far 9 93 10 - 4.2-5.4 QG2 ILE 15 - HB2 GLU 16 far 0 100 0 - 4.9-5.7 QD1 ILE 76 - HB3 GLU 43 far 0 94 0 - 6.0-6.4 QD2 LEU 38 - HB3 GLU 35 far 0 89 0 - 6.2-6.8 QG2 ILE 8 - HB3 GLU 35 far 0 76 0 - 6.5-7.5 QG2 VAL 32 - HB3 GLU 35 far 0 80 0 - 7.3-7.8 QG2 ILE 7 - HB2 GLU 16 far 0 98 0 - 7.4-8.0 QG2 VAL 32 - HB3 GLU 43 far 0 84 0 - 8.6-9.2 QD2 LEU 70 - HB3 GLU 43 far 0 96 0 - 8.7-9.8 QD2 LEU 38 - HB3 GLU 43 far 0 92 0 - 8.8-9.5 QG2 ILE 52 - HB3 GLU 43 far 0 67 0 - 9.1-9.4 QD1 LEU 70 - HB3 GLU 43 far 0 96 0 - 9.1-10.3 QG2 ILE 15 - HB2 GLU 23 far 0 96 0 - 9.9-10.6 Violated in 1 structures by 0.00 A. Peak 10421 from cnoeabs.peaks (0.79, 2.17, 29.20 ppm; 5.52 A increased from 4.91 A): 3 out of 17 assignments used, quality = 0.98: QG2 ILE 15 + HB3 GLU 16 OK 87 87 100 100 4.8-5.4 8530/3.0=89, 4.4/6238=81...(10) QG2 ILE 52 + HB3 GLN 50 OK 62 79 90 87 5.2-6.0 9107/6830=44...(6) QD2 LEU 2 + HB3 GLN 50 OK 59 65 95 96 4.6-6.0 ~10629=57, ~12283=52...(8) QD1 ILE 15 - HB3 GLU 16 far 8 84 10 - 5.8-7.0 HG13 ILE 15 - HB3 GLU 16 far 0 75 0 - 6.3-8.0 QG2 ILE 93 - HB3 GLU 23 far 0 60 0 - 6.4-7.0 QG2 ILE 93 - HB3 GLU 95 far 0 42 0 - 6.5-7.8 QD1 ILE 93 - HB3 GLU 95 far 0 66 0 - 6.9-9.1 QD2 LEU 57 - HB3 GLU 95 far 0 70 0 - 6.9-8.6 QD1 LEU 27 - HB3 GLU 95 far 0 65 0 - 6.9-8.4 QD1 ILE 93 - HB3 GLU 23 far 0 88 0 - 7.0-8.0 QG2 ILE 7 - HB3 GLU 16 far 0 98 0 - 7.3-8.1 QD1 LEU 27 - HB3 GLU 23 far 0 87 0 - 8.0-8.5 QD1 ILE 93 - HB3 GLU 16 far 0 96 0 - 8.1-8.7 QG2 ILE 15 - HB3 GLU 23 far 0 79 0 - 9.0-9.9 QG2 ILE 93 - HB3 GLU 16 far 0 68 0 - 9.9-11.2 QG2 ILE 7 - HB3 GLU 23 far 0 91 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 10423 from cnoeabs.peaks (0.64, 4.04, 59.03 ppm; 5.70 A increased from 5.37 A): 4 out of 11 assignments used, quality = 1.00: QD2 LEU 29 + HA GLU 16 OK 99 100 100 99 5.2-5.8 8693/6278=86...(10) QD1 ILE 7 + HA GLU 16 OK 75 88 90 95 5.4-6.6 10377/6278=56...(8) QD1 LEU 29 + HA GLU 16 OK 24 99 25 98 5.6-6.5 8691/6278=82...(10) QD1 LEU 29 + HA LYS 20 OK 23 78 30 99 5.9-6.4 8568/6344=70...(8) QD2 LEU 29 - HA LYS 20 far 4 81 5 - 6.0-6.7 QD1 ILE 7 - HA GLU 17 far 0 43 0 - 6.3-7.8 QD1 LEU 29 - HA GLU 17 far 0 53 0 - 6.5-7.0 QD1 LEU 14 - HA GLU 17 far 0 31 0 - 7.2-8.0 QD2 LEU 29 - HA GLU 17 far 0 55 0 - 7.3-7.9 QD1 LEU 14 - HA GLU 16 far 0 70 0 - 8.2-8.6 QD1 ILE 7 - HA LYS 20 far 0 65 0 - 8.5-10.0 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 18 assignments used, quality = 0.99: QD1 ILE 8 + HG2 GLU 63 OK 81 95 90 94 3.8-4.9 8308/3.0=44...(9) QG1 VAL 58 + HG2 GLU 63 OK 78 82 95 100 3.8-4.5 10225/3.0=55, 10716=53...(19) QG2 VAL 58 + HG2 GLU 63 OK 70 94 75 100 4.4-5.0 9380/3.0=60...(19) QD1 LEU 29 - HG2 GLU 23 far 0 22 0 - 5.2-6.4 QD1 LEU 42 - HG3 GLU 43 far 0 48 0 - 5.3-6.4 QD2 LEU 14 - HG3 GLU 16 far 0 96 0 - 7.2-8.2 QD2 LEU 14 - HG2 GLU 63 far 0 96 0 - 7.5-9.5 QD2 LEU 6 - HG3 GLU 43 far 0 47 0 - 8.0-9.8 QD1 LEU 14 - HG3 GLU 16 far 0 96 0 - 8.1-9.3 QG2 VAL 54 - HG3 GLU 43 far 0 23 0 - 8.3-9.6 QG1 VAL 5 - HG2 GLU 23 far 0 29 0 - 8.4-9.3 QD1 LEU 14 - HG2 GLU 63 far 0 95 0 - 8.6-10.3 QD1 ILE 56 - HG2 GLU 63 far 0 97 0 - 8.7-9.1 QD1 LEU 29 - HG3 GLU 16 far 0 57 0 - 8.7-9.3 QD1 ILE 52 - HG3 GLU 43 far 0 48 0 - 9.0-10.0 QD2 LEU 27 - HG2 GLU 23 far 0 26 0 - 9.1-9.7 QD1 ILE 56 - HG3 GLU 43 far 0 44 0 - 9.2-10.4 QD2 LEU 6 - HG2 GLU 63 far 0 99 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 10425 from cnoeabs.peaks (0.77, 2.30, 36.00 ppm; 4.07 A): 1 out of 24 assignments used, quality = 0.90: QG2 ILE 8 + HG2 GLU 63 OK 90 96 100 93 2.3-3.8 10744/3.0=47, 8310=35...(10) QG2 ILE 15 - HG3 GLU 16 far 0 61 0 - 4.5-5.3 QD1 ILE 76 - HG3 GLU 43 far 0 32 0 - 5.0-6.5 QD1 ILE 15 - HG3 GLU 16 far 0 98 0 - 5.0-6.1 QD2 LEU 42 - HG3 GLU 43 far 0 48 0 - 6.1-7.3 HG13 ILE 15 - HG3 GLU 16 far 0 95 0 - 6.4-8.0 QG2 ILE 93 - HG2 GLU 23 far 0 40 0 - 6.6-7.4 QD1 ILE 93 - HG2 GLU 23 far 0 50 0 - 6.6-7.7 QD2 LEU 70 - HG3 GLU 43 far 0 25 0 - 6.8-8.0 QD1 LEU 6 - HG3 GLU 43 far 0 48 0 - 7.1-8.6 QG2 ILE 15 - HG2 GLU 23 far 0 24 0 - 7.5-8.5 QD1 LEU 64 - HG2 GLU 63 far 0 77 0 - 7.5-7.9 QG2 ILE 7 - HG3 GLU 16 far 0 82 0 - 7.7-8.3 QD1 LEU 27 - HG2 GLU 23 far 0 49 0 - 8.2-9.2 QG2 ILE 7 - HG2 GLU 63 far 0 82 0 - 8.4-10.1 QD1 ILE 15 - HG2 GLU 63 far 0 98 0 - 8.5-11.0 QG2 ILE 7 - HG2 GLU 23 far 0 35 0 - 8.5-9.7 QG1 VAL 78 - HG3 GLU 43 far 0 35 0 - 8.6-9.9 QG1 VAL 54 - HG3 GLU 43 far 0 46 0 - 8.7-10.2 QD1 ILE 93 - HG3 GLU 16 far 0 100 0 - 9.3-10.1 QD2 LEU 57 - HG2 GLU 63 far 0 86 0 - 9.3-10.4 QG2 ILE 52 - HG3 GLU 43 far 0 47 0 - 9.4-10.7 QD2 LEU 70 - HG2 GLU 63 far 0 65 0 - 9.7-10.8 QD1 LEU 6 - HG2 GLU 63 far 0 100 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 10426 from cnoeabs.peaks (0.87, 2.30, 36.00 ppm; 5.95 A increased from 5.60 A): 1 out of 9 assignments used, quality = 0.87: HG13 ILE 8 + HG2 GLU 63 OK 87 97 90 100 5.4-6.9 3.1/10425=95, ~8308=63...(7) QG1 VAL 32 - HG2 GLU 63 lone 6 69 45 19 5.9-6.8 326/9463=17 QD1 LEU 38 - HG3 GLU 43 far 0 45 0 - 6.8-7.7 QG2 ILE 76 - HG3 GLU 43 far 0 46 0 - 7.2-9.0 QD2 LEU 64 - HG2 GLU 63 far 0 98 0 - 7.9-8.2 HG13 ILE 7 - HG2 GLU 63 far 0 91 0 - 8.4-12.6 QD1 LEU 38 - HG2 GLU 63 far 0 97 0 - 8.5-9.1 QG1 VAL 32 - HG3 GLU 43 far 0 27 0 - 8.7-10.5 HG13 ILE 7 - HG3 GLU 16 far 0 92 0 - 9.3-11.0 Violated in 3 structures by 0.10 A. Peak 10428 from cnoeabs.peaks (0.80, 2.01, 29.01 ppm; 4.52 A): 2 out of 32 assignments used, quality = 0.68: QD1 LEU 70 + HB2 GLU 35 OK 54 54 100 100 4.1-4.3 10608/1.8=90...(9) QD2 LEU 70 + HB2 GLU 35 OK 30 60 50 100 4.3-5.3 2.1/9549=66, ~10608=62...(15) QD1 ILE 93 - HB3 GLU 17 far 0 84 0 - 5.2-5.7 QD2 LEU 2 - HB2 GLN 50 far 0 82 0 - 5.7-7.4 QG2 ILE 52 - HB2 GLN 50 far 0 79 0 - 5.9-6.9 QG2 ILE 15 - HB3 GLU 17 far 0 97 0 - 6.1-6.4 QD1 LEU 6 - HB2 GLU 44 far 0 47 0 - 6.2-6.6 QD2 LEU 42 - HB2 GLU 44 far 0 43 0 - 6.3-6.8 QD1 ILE 76 - HB2 GLU 44 far 0 62 0 - 6.5-7.3 QG2 ILE 7 - HB3 GLU 17 far 0 100 0 - 6.8-7.2 QG1 VAL 54 - HB2 GLU 44 far 0 37 0 - 6.9-7.5 QD2 LEU 38 - HB2 GLU 35 far 0 46 0 - 6.9-7.4 QD1 ILE 15 - HB3 GLU 17 far 0 65 0 - 7.2-7.7 QG2 ILE 52 - HB2 GLU 44 far 0 55 0 - 7.2-7.8 QD1 ILE 76 - HB3 GLU 44 far 0 62 0 - 7.4-8.2 QD1 LEU 6 - HB3 GLU 44 far 0 47 0 - 7.5-8.0 QG2 ILE 8 - HB2 GLU 35 far 0 62 0 - 7.5-8.4 QD2 LEU 42 - HB3 GLU 44 far 0 43 0 - 7.5-8.0 QG2 VAL 32 - HB2 GLU 35 far 0 35 0 - 7.7-8.0 QD1 LEU 57 - HB3 GLU 17 far 0 73 0 - 7.9-8.7 QD2 LEU 2 - HB2 GLU 44 far 0 59 0 - 8.1-10.6 QG2 VAL 32 - HB2 GLU 44 far 0 34 0 - 8.1-8.5 QG2 ILE 52 - HB3 GLU 44 far 0 55 0 - 8.2-8.7 QD2 LEU 103 - HB2 GLN 50 far 0 59 0 - 8.4-18.1 QG1 VAL 54 - HB3 GLU 44 far 0 37 0 - 8.4-9.0 QD2 LEU 2 - HB3 GLU 44 far 0 59 0 - 8.6-11.3 QD2 LEU 38 - HB2 GLU 44 far 0 45 0 - 8.6-9.2 QD2 LEU 57 - HB3 GLU 17 far 0 100 0 - 8.8-10.1 QG2 VAL 32 - HB3 GLU 44 far 0 34 0 - 9.1-9.5 QD1 LEU 6 - HB2 GLU 35 far 0 48 0 - 9.4-9.9 QD2 LEU 38 - HB3 GLU 44 far 0 45 0 - 9.8-10.4 QD1 ILE 76 - HB2 GLN 50 far 0 87 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 10429 from cnoeabs.peaks (0.70, 2.01, 29.01 ppm; 5.21 A increased from 4.63 A): 3 out of 16 assignments used, quality = 0.91: QD2 LEU 14 + HB3 GLU 17 OK 69 100 95 73 5.0-5.5 4.0/593=59...(4) QD1 LEU 14 + HB3 GLU 17 OK 57 85 95 70 4.7-5.5 4.0/593=59, ~12026=14...(5) QD1 ILE 52 + HB2 GLU 44 OK 30 61 65 75 5.3-5.8 9152/6724=57...(3) QD1 ILE 52 - HB3 GLU 44 far 0 61 0 - 6.3-6.9 QD2 LEU 6 - HB2 GLU 44 far 0 56 0 - 6.4-6.8 QD1 ILE 8 - HB2 GLU 35 far 0 63 0 - 6.8-7.5 QD1 ILE 52 - HB2 GLN 50 far 0 86 0 - 7.3-8.1 QD2 LEU 6 - HB3 GLU 44 far 0 56 0 - 7.6-8.1 QD1 LEU 42 - HB2 GLU 44 far 0 58 0 - 7.7-8.0 QD1 LEU 42 - HB2 GLU 35 far 0 59 0 - 7.7-8.3 QG1 VAL 5 - HB3 GLU 17 far 0 87 0 - 8.3-9.0 QD1 LEU 42 - HB3 GLU 44 far 0 58 0 - 8.5-9.0 QG1 VAL 58 - HB2 GLU 35 far 0 56 0 - 8.7-9.7 QD1 ILE 56 - HB2 GLU 35 far 0 64 0 - 9.2-9.8 QD1 ILE 56 - HB2 GLU 44 far 0 62 0 - 9.6-10.2 QD2 LEU 6 - HB2 GLU 35 far 0 57 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 10430 from cnoeabs.peaks (0.80, 2.43, 36.00 ppm; 4.65 A): 2 out of 13 assignments used, quality = 0.85: QD2 LEU 2 + HG3 GLU 48 OK 81 82 100 100 1.8-3.9 2.1/8056=85, 8057/3.0=44...(20) QG2 ILE 52 + HG3 GLU 48 OK 21 71 30 100 4.9-6.2 3.1/10431=65...(21) QD2 LEU 103 - HG3 GLU 99 far 4 78 5 - 2.5-12.4 QD1 LEU 27 - HG3 GLU 99 far 0 71 0 - 6.0-8.4 QD1 ILE 93 - HG3 GLU 17 far 0 77 0 - 6.7-7.3 QG2 ILE 15 - HG3 GLU 17 far 0 99 0 - 7.0-8.0 QD2 LEU 57 - HG3 GLU 99 far 0 98 0 - 8.3-10.1 QG2 ILE 7 - HG3 GLU 17 far 0 100 0 - 8.4-9.5 QG1 VAL 54 - HG3 GLU 48 far 0 45 0 - 9.0-10.9 QD1 ILE 76 - HG3 GLU 48 far 0 84 0 - 9.2-10.8 QD1 LEU 57 - HG3 GLU 17 far 0 81 0 - 9.2-10.4 QD1 LEU 57 - HG3 GLU 99 far 0 76 0 - 9.3-11.1 QD2 LEU 42 - HG3 GLU 48 far 0 53 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 10431 from cnoeabs.peaks (0.69, 2.43, 36.00 ppm; 4.56 A increased from 4.29 A): 1 out of 6 assignments used, quality = 0.83: QD1 ILE 52 + HG3 GLU 48 OK 83 83 100 100 3.2-4.5 9177/3.0=73, 9175=70...(22) QD1 LEU 14 - HG3 GLU 17 far 0 99 0 - 5.2-7.0 QD2 LEU 14 - HG3 GLU 17 far 0 92 0 - 6.0-7.7 QG2 VAL 54 - HG3 GLU 48 far 0 52 0 - 7.1-8.6 QD1 LEU 29 - HG3 GLU 17 far 0 68 0 - 8.3-9.0 QG1 VAL 5 - HG3 GLU 99 far 0 58 0 - 9.2-10.9 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 1.9-3.6 8056=97, 8053/3.0=57...(23) QD1 LEU 103 - HG3 GLU 99 far 15 98 15 - 2.5-14.2 QG2 ILE 76 - HG3 GLU 48 far 0 78 0 - 7.8-9.4 HG13 ILE 7 - HG3 GLU 17 far 0 87 0 - 8.3-11.1 Violated in 0 structures by 0.00 A. Peak 10433 from cnoeabs.peaks (1.69, 2.01, 29.01 ppm; 3.77 A increased from 3.35 A): 1 out of 30 assignments used, quality = 0.89: HD3 LYS 90 + HB3 GLU 17 OK 89 100 90 99 2.8-6.0 12234/3.0=38...(42) HD2 LYS 47 - HB3 GLU 44 far 6 59 10 - 3.9-7.1 HD3 LYS 47 - HB3 GLU 44 far 3 59 5 - 4.1-5.9 HG2 PRO 86 - HB3 GLU 17 far 0 100 0 - 4.5-5.2 HD2 LYS 20 - HB3 GLU 17 far 0 96 0 - 4.8-6.9 HD3 LYS 47 - HB2 GLU 44 far 0 59 0 - 4.8-6.7 HD3 LYS 20 - HB3 GLU 17 far 0 93 0 - 4.9-7.5 HD2 LYS 47 - HB2 GLU 44 far 0 59 0 - 4.9-7.6 HG3 LYS 20 - HB3 GLU 17 far 0 93 0 - 5.6-7.7 HD2 LYS 39 - HB2 GLU 35 far 0 31 0 - 6.2-7.4 HD2 LYS 13 - HB3 GLU 17 far 0 100 0 - 6.2-9.2 HG LEU 70 - HB2 GLU 35 far 0 64 0 - 6.2-7.0 HD3 LYS 66 - HB2 GLU 35 far 0 62 0 - 6.5-8.8 HB ILE 15 - HB3 GLU 17 far 0 65 0 - 6.5-7.0 HB ILE 52 - HB2 GLN 50 far 0 72 0 - 6.5-7.0 HD3 LYS 13 - HB3 GLU 17 far 0 99 0 - 6.6-8.9 HG12 ILE 15 - HB3 GLU 17 far 0 100 0 - 7.1-8.1 HB3 LYS 40 - HB3 GLU 44 far 0 60 0 - 7.1-8.3 HB3 LYS 40 - HB2 GLU 44 far 0 60 0 - 7.2-8.2 HB3 LEU 70 - HB2 GLU 35 far 0 52 0 - 7.4-8.0 HB2 LEU 2 - HB2 GLN 50 far 0 86 0 - 7.5-9.1 HB3 LYS 40 - HB2 GLU 35 far 0 61 0 - 8.7-10.1 HD2 LYS 47 - HB2 GLN 50 far 0 82 0 - 8.9-13.6 HD3 LYS 12 - HB3 GLU 17 far 0 100 0 - 9.0-11.5 HB ILE 52 - HB2 GLU 44 far 0 50 0 - 9.1-9.6 HD2 LYS 12 - HB3 GLU 17 far 0 100 0 - 9.6-11.6 HB3 ARG 91 - HB3 GLU 17 far 0 99 0 - 9.6-10.2 HD3 LYS 24 - HB3 GLU 17 far 0 100 0 - 9.7-13.0 HB2 LEU 2 - HB2 GLU 44 far 0 61 0 - 9.9-10.7 HD2 LYS 24 - HB3 GLU 17 far 0 100 0 - 9.9-12.8 Violated in 3 structures by 0.13 A. Peak 10434 from cnoeabs.peaks (1.48, 2.01, 29.01 ppm; 5.26 A increased from 4.21 A): 2 out of 27 assignments used, quality = 0.81: HG2 LYS 47 + HB3 GLU 44 OK 60 60 100 100 4.5-5.1 12088/3.0=84...(14) HG2 LYS 47 + HB2 GLU 44 OK 54 60 90 100 4.9-5.9 12088/3.0=84...(14) HG2 LYS 20 - HB3 GLU 17 poor 18 88 20 - 4.7-8.6 HG3 LYS 66 - HB2 GLU 35 far 6 60 10 - 5.3-7.0 HB2 LEU 38 - HB2 GLU 35 far 5 48 10 - 5.3-6.1 HG LEU 2 - HB2 GLN 50 far 0 53 0 - 6.6-7.7 HD3 LYS 40 - HB3 GLU 44 far 0 57 0 - 6.8-8.4 HG LEU 38 - HB2 GLU 35 far 0 53 0 - 6.8-7.6 HG3 LYS 39 - HB2 GLU 35 far 0 31 0 - 7.0-8.8 HG2 LYS 66 - HB2 GLU 35 far 0 61 0 - 7.0-8.7 HD3 LYS 40 - HB2 GLU 44 far 0 57 0 - 7.3-8.2 HG3 LYS 13 - HB3 GLU 17 far 0 95 0 - 7.6-8.5 HD2 LYS 40 - HB3 GLU 44 far 0 56 0 - 7.7-8.9 HD2 LYS 40 - HB2 GLU 44 far 0 56 0 - 7.8-8.9 HG13 ILE 52 - HB2 GLU 44 far 0 50 0 - 8.4-9.2 HG LEU 57 - HB3 GLU 17 far 0 91 0 - 8.6-9.8 HG13 ILE 52 - HB2 GLN 50 far 0 72 0 - 8.9-9.2 HG3 LYS 39 - HB2 GLU 44 far 0 30 0 - 9.2-11.3 HG3 LYS 53 - HB2 GLN 50 far 0 83 0 - 9.3-10.7 HG2 LYS 53 - HB2 GLN 50 far 0 79 0 - 9.3-10.1 HG3 LYS 39 - HB3 GLU 44 far 0 30 0 - 9.3-11.9 HG13 ILE 52 - HB3 GLU 44 far 0 50 0 - 9.6-10.4 HG2 LYS 12 - HB3 GLU 17 far 0 68 0 - 9.6-10.7 HD2 LYS 40 - HB2 GLU 35 far 0 57 0 - 9.7-11.2 HB2 ARG 91 - HB3 GLU 17 far 0 100 0 - 9.7-10.6 HG2 LYS 73 - HB2 GLU 35 far 0 60 0 - 9.9-11.5 HG2 LYS 47 - HB2 GLN 50 far 0 84 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 10436 from cnoeabs.peaks (1.70, 2.24, 36.00 ppm; 5.01 A increased from 4.22 A): 3 out of 23 assignments used, quality = 1.00: HD3 LYS 90 + HG2 GLU 17 OK 100 100 100 100 2.2-5.3 10433/748=86...(39) HG2 PRO 86 + HG2 GLU 17 OK 77 99 100 78 3.5-5.3 9887/8477=47, ~12333=31...(5) HD2 LYS 20 + HG2 GLU 17 OK 25 85 70 42 3.6-7.2 447/6257=17, 905/729=16...(5) HD2 LYS 90 - HG2 GLU 17 poor 16 63 25 - 3.9-6.8 HD2 LYS 24 - HG2 GLU 23 poor 13 53 25 - 4.7-9.0 HD3 LYS 20 - HG2 GLU 17 poor 13 81 55 29 3.7-7.6 905/729=13, 1.8/12233=8...(5) HG3 LYS 20 - HG2 GLU 23 poor 6 37 70 23 4.8-7.3 3.7/752=22 HD3 LYS 20 - HG2 GLU 23 far 4 37 10 - 4.7-8.2 HD2 LYS 13 - HG2 GLU 17 lone 1 100 45 3 4.2-8.7 5.5/4422=1 HD3 LYS 13 - HG2 GLU 17 lone 1 100 25 3 4.3-8.4 5.5/4422=1 HG3 LYS 20 - HG2 GLU 17 far 0 81 0 - 5.4-7.9 HD3 LYS 24 - HG2 GLU 23 far 0 53 0 - 5.4-9.6 HD2 LYS 20 - HG2 GLU 23 far 0 40 0 - 6.3-7.4 HB ILE 15 - HG2 GLU 17 far 0 82 0 - 6.8-9.0 HB3 LYS 53 - HG2 GLU 99 far 0 67 0 - 7.2-11.1 HG12 ILE 15 - HG2 GLU 17 far 0 99 0 - 7.5-10.7 HD3 LYS 24 - HG2 GLU 98 far 0 59 0 - 8.1-14.1 HD3 LYS 12 - HG2 GLU 17 far 0 100 0 - 8.7-12.9 HD2 LYS 12 - HG2 GLU 17 far 0 100 0 - 9.1-12.3 HD2 LYS 24 - HG2 GLU 98 far 0 59 0 - 9.6-13.4 HB3 ARG 91 - HG2 GLU 17 far 0 92 0 - 9.8-12.1 HD2 LYS 24 - HG2 GLU 17 far 0 100 0 - 9.9-12.9 HD3 LYS 24 - HG2 GLU 17 far 0 100 0 - 10.0-13.5 Violated in 0 structures by 0.00 A. Peak 10437 from cnoeabs.peaks (2.03, 1.23, 17.96 ppm; 4.19 A): 3 out of 4 assignments used, quality = 1.00: HG12 ILE 93 + QB ALA 18 OK 99 100 100 100 3.6-4.2 2.1/10020=91, ~8480=56...(11) HB3 GLU 17 + QB ALA 18 OK 84 85 100 98 3.8-4.2 6269/2.9=61, ~742=39...(13) HB2 MET 21 + QB ALA 18 OK 46 93 50 99 4.1-4.7 770/2.1=69, 6347/8569=42...(11) HB3 LYS 94 - QB ALA 18 far 0 99 0 - 8.1-8.9 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 5.2-5.4 6283/789=92, 8511/3.0=82...(9) Violated in 4 structures by 0.01 A. Peak 10440 from cnoeabs.peaks (1.23, 1.93, 29.57 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: QB ALA 18 + HB3 ARG 19 OK 100 100 100 100 4.3-4.8 6283/6286=96...(9) Violated in 0 structures by 0.00 A. Peak 10443 from cnoeabs.peaks (1.61, 2.10, 17.93 ppm; 4.23 A increased from 3.38 A): 2 out of 7 assignments used, quality = 0.98: HD2 LYS 94 + QE MET 21 OK 96 96 100 100 2.9-4.4 12250=98, 3.5/995=84...(11) HD3 LYS 94 + QE MET 21 OK 39 99 40 100 3.8-5.4 3.5/995=84, 1.8/12250=80...(12) HG2 LYS 24 - QE MET 21 far 13 88 15 - 4.4-5.5 HG3 LYS 90 - QE MET 21 far 0 85 0 - 4.5-5.1 HG LEU 27 - QE MET 21 far 0 99 0 - 5.4-6.1 HB3 LEU 29 - QE MET 21 far 0 98 0 - 7.5-8.0 HG2 ARG 19 - QE MET 21 far 0 87 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 10444 from cnoeabs.peaks (1.71, 2.10, 17.93 ppm; 3.42 A): 0 out of 8 assignments used, quality = 0.00: HD3 LYS 24 - QE MET 21 far 10 96 10 - 3.7-6.3 HD2 LYS 24 - QE MET 21 far 5 96 5 - 3.4-6.0 HG3 LYS 20 - QE MET 21 far 0 63 0 - 5.6-8.1 HD2 LYS 90 - QE MET 21 far 0 81 0 - 6.3-7.0 HD3 LYS 90 - QE MET 21 far 0 96 0 - 6.4-7.2 HB3 ARG 91 - QE MET 21 far 0 79 0 - 6.6-7.4 HD3 LYS 20 - QE MET 21 far 0 63 0 - 7.1-9.2 HD2 LYS 20 - QE MET 21 far 0 70 0 - 7.7-9.2 Violated in 19 structures by 0.55 A. Peak 10445 from cnoeabs.peaks (0.66, 2.10, 17.93 ppm; 5.85 A increased from 4.92 A): 1 out of 4 assignments used, quality = 0.93: QD1 LEU 29 + QE MET 21 OK 93 100 100 93 5.3-5.6 8568/6351=83...(3) QD2 LEU 29 - QE MET 21 far 0 95 0 - 7.1-7.5 QD1 ILE 7 - QE MET 21 far 0 59 0 - 7.3-9.2 QD1 LEU 14 - QE MET 21 far 0 94 0 - 9.3-9.8 Violated in 0 structures by 0.00 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...(13) HA GLN 72 + HA ALA 71 OK 47 48 100 100 4.7-4.8 ~7170=60, ~3181=57...(15) HA LYS 24 - HA ALA 22 far 0 77 0 - 6.3-6.6 HA GLU 62 - HA ALA 67 far 0 63 0 - 8.7-8.8 HA GLN 72 - HA ALA 67 far 0 51 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 10448 from cnoeabs.peaks (4.40, 3.83, 55.43 ppm; 5.07 A increased from 4.77 A): 2 out of 5 assignments used, quality = 1.00: HA MET 21 + HA ALA 22 OK 100 100 100 100 4.8-4.9 6360/3.6=62...(14) HA ALA 25 + HA ALA 22 OK 40 99 40 100 5.1-5.8 3.0/6394=86, 2.1/1154=73...(10) HA MET 74 - HA ALA 71 far 6 61 10 - 5.3-5.9 HA ILE 76 - HA ALA 71 far 0 46 0 - 5.6-6.4 HA VAL 32 - HA ALA 67 far 0 64 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 10451 from cnoeabs.peaks (4.14, 1.44, 18.06 ppm; 4.96 A): 1 out of 2 assignments used, quality = 0.99: HA GLU 23 + QB ALA 22 OK 99 99 100 100 3.7-3.8 4.5=100 HA LYS 24 - QB ALA 22 far 0 68 0 - 6.4-6.6 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 = 1.00: HA GLU 28 + QB ALA 22 OK 100 100 100 100 4.2-4.8 6462/6470=92...(6) 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 3.8-4.0 2.9/8581=91, 2.9/8577=89...(12) 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 = 0.98: HA LEU 27 + QB ALA 22 OK 98 100 100 98 4.9-5.6 ~8636=77, ~8638=75...(6) HA LEU 55 - QB ALA 22 far 0 96 0 - 8.8-9.3 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 = 0.97: HG3 ARG 19 + QB ALA 22 OK 97 100 100 97 4.4-5.1 6288/8506=59, 782/787=54...(8) HB2 GLU 28 - QB ALA 22 far 0 94 0 - 6.0-6.5 HB ILE 15 - QB ALA 22 far 0 75 0 - 8.8-9.4 HD2 LYS 90 - QB ALA 22 far 0 91 0 - 9.0-9.6 Violated in 1 structures by 0.01 A. Peak 10459 from cnoeabs.peaks (1.44, 2.49, 36.23 ppm; 4.42 A): 1 out of 10 assignments used, quality = 0.99: QB ALA 22 + HG3 GLU 23 OK 99 100 100 99 3.2-3.8 6363/1042=72...(8) HG2 LYS 20 - HG3 GLU 23 far 0 90 0 - 6.3-7.9 HB2 LEU 27 - HG3 GLU 23 far 0 90 0 - 6.5-7.3 HD2 LYS 82 - HG3 GLU 63 far 0 43 0 - 7.1-8.6 HG LEU 29 - HG3 GLU 23 far 0 100 0 - 7.3-7.6 HG3 ARG 91 - HG3 GLU 98 far 0 65 0 - 8.0-10.2 HG LEU 38 - HG3 GLU 63 far 0 43 0 - 8.3-9.3 HB2 LEU 38 - HG3 GLU 63 far 0 47 0 - 9.0-10.7 QB ALA 22 - HG3 GLU 98 far 0 73 0 - 9.7-10.8 HB2 LEU 27 - HG3 GLU 98 far 0 60 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 10460 from cnoeabs.peaks (1.46, 2.27, 36.23 ppm; 4.30 A): 5 out of 39 assignments used, quality = 0.96: QB ALA 22 + HG2 GLU 23 OK 84 87 100 97 3.9-4.6 10463/1016=60...(5) HG3 ARG 91 + HG2 GLU 95 OK 38 85 65 68 2.7-6.1 ~10040=41, 4059/1.8=16...(8) HG2 LYS 66 + HG2 GLU 62 OK 25 34 95 80 2.4-4.8 2.9/12290=22...(12) HG2 LYS 66 + HG3 GLU 62 OK 23 34 85 81 2.9-5.4 12157/2.9=20, ~12290=17...(12) HG3 LYS 66 + HG2 GLU 62 OK 22 32 85 83 2.9-5.3 2.9/12290=22, ~12157=21...(12) HG3 LYS 66 - HG3 GLU 62 poor 8 32 25 - 3.8-6.3 HG2 LYS 12 - HG3 GLU 16 far 7 45 15 - 4.4-6.3 HG2 LYS 20 - HG2 GLU 23 far 5 100 5 - 4.5-6.5 HG2 LYS 13 - HG3 GLU 16 far 0 33 0 - 4.6-7.3 HG3 LYS 13 - HG3 GLU 16 far 0 24 0 - 5.0-6.1 HG2 LYS 20 - HG2 GLU 17 far 0 54 0 - 5.0-8.7 HB2 ARG 91 - HG2 GLU 95 far 0 65 0 - 5.1-7.9 HG3 LYS 66 - HG2 GLU 63 far 0 32 0 - 5.7-8.1 HG2 LYS 13 - HG2 GLU 17 far 0 36 0 - 5.7-7.7 HG2 LYS 66 - HG2 GLU 63 far 0 35 0 - 5.9-8.4 HG3 LYS 13 - HG2 GLU 17 far 0 27 0 - 6.2-8.8 HG2 LYS 20 - HG3 GLU 16 far 0 50 0 - 6.6-7.5 HB3 LEU 64 - HG2 GLU 63 far 0 36 0 - 6.8-7.1 HD2 LYS 82 - HG2 GLU 63 far 0 57 0 - 7.7-8.9 HB2 LEU 27 - HG2 GLU 23 far 0 100 0 - 7.8-8.8 HG LEU 29 - HG2 GLU 23 far 0 87 0 - 7.8-8.8 HG LEU 38 - HG2 GLU 63 far 0 57 0 - 7.8-8.5 HB3 LEU 64 - HG2 GLU 62 far 0 35 0 - 8.3-9.5 HB2 LEU 38 - HG2 GLU 63 far 0 56 0 - 8.3-9.9 HB3 LEU 64 - HG3 GLU 62 far 0 35 0 - 8.4-9.6 HG LEU 64 - HG2 GLU 62 far 0 45 0 - 8.5-10.1 HG LEU 64 - HG3 GLU 62 far 0 45 0 - 8.6-10.2 HD2 LYS 82 - HG3 GLU 62 far 0 55 0 - 8.7-10.6 HG LEU 64 - HG2 GLU 63 far 0 46 0 - 8.8-9.2 QB ALA 22 - HG2 GLU 17 far 0 41 0 - 9.0-9.9 HG2 LYS 12 - HG2 GLU 17 far 0 50 0 - 9.2-12.2 QB ALA 22 - HG2 GLU 95 far 0 70 0 - 9.2-11.9 HD2 LYS 82 - HG2 GLU 62 far 0 55 0 - 9.2-10.4 HG12 ILE 7 - HG2 GLU 63 far 0 31 0 - 9.3-11.5 HB2 ARG 91 - HG2 GLU 17 far 0 38 0 - 9.5-12.0 HG LEU 38 - HG2 GLU 62 far 0 55 0 - 9.6-12.0 HG12 ILE 7 - HG2 GLU 17 far 0 30 0 - 9.7-10.4 HD2 LYS 53 - HG2 GLU 95 far 0 87 0 - 9.7-15.2 QB ALA 22 - HG3 GLU 16 far 0 38 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 10461 from cnoeabs.peaks (1.48, 2.15, 29.16 ppm; 4.81 A increased from 4.27 A): 4 out of 30 assignments used, quality = 0.92: HG2 LYS 20 + HB3 GLU 16 OK 74 86 90 95 3.8-6.3 ~12058=61, ~12146=31...(13) HG2 LYS 73 + HB3 GLU 69 OK 42 54 100 77 3.4-4.9 10819/4.6=47...(8) HG3 LYS 24 + HB3 GLU 23 OK 31 71 65 66 3.6-6.8 5.1/1034=52...(4) HG3 ARG 91 + HB3 GLU 95 OK 28 53 70 77 3.6-6.1 ~10040=43, 10460/2.9=13...(9) HG2 LYS 73 - HB2 GLU 69 poor 19 54 45 77 4.9-6.0 10819/4.6=47...(8) HG2 LYS 66 - HB2 GLU 69 poor 14 55 25 - 4.9-5.4 HG3 LYS 13 - HB3 GLU 16 far 8 81 10 - 4.8-8.3 HG LEU 2 - HB3 GLN 50 far 2 31 5 - 5.0-6.0 HG2 LYS 20 - HB3 GLU 23 far 0 94 0 - 5.2-6.7 HB2 ARG 91 - HB3 GLU 95 far 0 63 0 - 5.8-8.2 HG3 LYS 66 - HB2 GLU 69 far 0 53 0 - 5.8-6.2 HG2 LYS 66 - HB3 GLU 69 far 0 55 0 - 6.1-6.8 HG2 LYS 12 - HB3 GLU 16 far 0 69 0 - 6.6-8.7 HG3 LYS 66 - HB3 GLU 69 far 0 53 0 - 6.9-7.5 HG LEU 64 - HB2 GLU 69 far 0 61 0 - 7.4-7.9 HG13 ILE 52 - HB3 GLN 50 far 0 58 0 - 7.4-7.9 HG LEU 38 - HB2 GLU 69 far 0 55 0 - 7.5-8.3 HB2 LEU 27 - HB3 GLU 23 far 0 94 0 - 7.7-8.5 HB2 LEU 38 - HB2 GLU 69 far 0 52 0 - 7.9-9.6 HG3 LYS 39 - HB3 GLU 69 far 0 36 0 - 8.0-11.9 HG3 LYS 39 - HB2 GLU 69 far 0 36 0 - 8.2-12.2 HG LEU 57 - HB3 GLU 95 far 0 49 0 - 8.3-10.4 HG LEU 38 - HB3 GLU 69 far 0 55 0 - 8.6-9.5 HB2 LEU 38 - HB3 GLU 69 far 0 52 0 - 8.7-10.6 HG2 LYS 53 - HB3 GLN 50 far 0 63 0 - 8.7-9.4 HG3 LYS 53 - HB3 GLN 50 far 0 66 0 - 8.8-9.5 HG LEU 64 - HB3 GLU 69 far 0 61 0 - 8.9-9.4 HB3 LEU 64 - HB2 GLU 69 far 0 56 0 - 9.3-9.6 HG2 LYS 47 - HB3 GLN 50 far 0 60 0 - 9.8-10.7 HG3 LYS 24 - HB3 GLU 16 far 0 64 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 10462 from cnoeabs.peaks (1.46, 2.09, 29.16 ppm; 3.90 A): 0 out of 22 assignments used, quality = 0.00: HG3 LYS 66 - HB3 GLU 35 far 5 55 10 - 4.0-5.5 HG2 LYS 20 - HB2 GLU 16 far 0 96 0 - 4.4-6.5 HB2 LEU 38 - HB3 GLU 35 far 0 88 0 - 4.9-5.6 HG2 LYS 13 - HB2 GLU 16 far 0 72 0 - 5.1-7.3 QB ALA 22 - HB2 GLU 23 far 0 87 0 - 5.1-5.3 HG3 LYS 39 - HB3 GLU 43 far 0 67 0 - 5.4-8.2 HG2 LYS 47 - HB3 GLU 43 far 0 49 0 - 5.4-7.3 HG3 LYS 13 - HB2 GLU 16 far 0 55 0 - 5.5-6.9 HG2 LYS 66 - HB3 GLU 35 far 0 58 0 - 5.7-7.0 HG LEU 38 - HB3 GLU 35 far 0 88 0 - 5.8-6.7 HG2 LYS 12 - HB2 GLU 16 far 0 91 0 - 6.0-8.3 HD2 LYS 40 - HB3 GLU 43 far 0 75 0 - 6.4-7.6 HG2 LYS 20 - HB2 GLU 23 far 0 100 0 - 6.5-8.4 HD3 LYS 40 - HB3 GLU 43 far 0 75 0 - 6.6-7.8 HG3 LYS 39 - HB3 GLU 35 far 0 78 0 - 7.5-9.5 HB2 LEU 27 - HB2 GLU 23 far 0 100 0 - 7.6-8.4 QB ALA 22 - HB2 GLU 16 far 0 80 0 - 8.7-9.3 HG13 ILE 76 - HB3 GLU 43 far 0 61 0 - 8.7-9.2 HB2 LEU 38 - HB3 GLU 43 far 0 76 0 - 9.2-10.8 HG2 LYS 73 - HB3 GLU 35 far 0 57 0 - 9.6-11.3 HG12 ILE 7 - HB2 GLU 16 far 0 61 0 - 9.9-10.8 HG LEU 29 - HB2 GLU 23 far 0 87 0 - 10.0-10.4 Violated in 0 structures by 0.00 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 3.7-3.8 4.5=58, 6363/3.0=52...(16) HB2 LEU 27 - HA GLU 23 far 0 100 0 - 5.3-6.0 HG2 LYS 20 - HA GLU 23 far 0 100 0 - 7.9-9.0 HG LEU 29 - HA GLU 23 far 0 81 0 - 8.4-8.8 Violated in 4 structures by 0.01 A. Peak 10464 from cnoeabs.peaks (1.58, 2.49, 36.23 ppm; 4.99 A increased from 4.43 A): 1 out of 12 assignments used, quality = 0.74: HB3 LEU 29 + HG3 GLU 23 OK 74 95 100 78 4.6-4.7 8581/10459=47...(4) HD3 LYS 94 - HG3 GLU 98 poor 19 63 30 - 4.5-7.7 HG2 ARG 19 - HG3 GLU 23 far 0 100 0 - 5.3-7.7 HG2 LYS 24 - HG3 GLU 23 far 0 100 0 - 6.3-8.8 HD3 LYS 82 - HG3 GLU 63 far 0 52 0 - 6.8-8.2 HG LEU 27 - HG3 GLU 23 far 0 93 0 - 7.7-8.2 HG LEU 27 - HG3 GLU 98 far 0 63 0 - 7.9-9.4 HD2 LYS 66 - HG3 GLU 63 far 0 45 0 - 8.2-9.8 HB3 GLU 28 - HG3 GLU 23 far 0 96 0 - 8.3-9.6 HG LEU 103 - HG3 GLU 98 far 0 73 0 - 9.1-17.8 HG2 LYS 24 - HG3 GLU 98 far 0 72 0 - 9.4-12.4 HB2 LEU 3 - HG3 GLU 98 far 0 55 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 10465 from cnoeabs.peaks (1.33, 2.49, 36.23 ppm; 5.68 A increased from 4.79 A): 2 out of 10 assignments used, quality = 0.71: QB ALA 25 + HG3 GLU 98 OK 50 71 95 75 4.9-6.3 10063/10060=56, 11020/7594=42 HG2 LYS 94 + HG3 GLU 98 OK 42 71 85 70 3.7-7.0 12255=38, 1.8/12257=24...(6) QB ALA 67 - HG3 GLU 63 far 0 55 0 - 6.2-6.5 QB ALA 25 - HG3 GLU 23 far 0 99 0 - 6.3-6.7 HG12 ILE 8 - HG3 GLU 63 far 0 33 0 - 7.5-8.0 HB3 LEU 27 - HG3 GLU 23 far 0 97 0 - 7.7-8.7 HB2 LYS 82 - HG3 GLU 63 far 0 52 0 - 8.1-9.4 HG2 ARG 30 - HG3 GLU 23 far 0 65 0 - 9.4-11.2 QB ALA 89 - HG3 GLU 23 far 0 99 0 - 9.8-10.4 HG LEU 3 - HG3 GLU 98 far 0 48 0 - 10.0-11.5 Violated in 0 structures by 0.00 A. Peak 10470 from cnoeabs.peaks (4.04, 2.27, 36.23 ppm; 3.46 A): 4 out of 11 assignments used, quality = 0.97: HA GLU 95 + HG2 GLU 95 OK 72 80 90 99 2.1-3.8 4308/1.8=59, 4.1=59...(10) HA LYS 20 + HG2 GLU 23 OK 66 97 100 68 2.4-3.5 6358/1035=32...(4) HA GLU 17 + HG2 GLU 17 OK 48 49 100 99 2.5-3.6 3.9=67, 730/1.8=56...(12) HA GLU 16 + HG3 GLU 16 OK 39 48 80 100 3.3-3.8 689/1.8=64, 4.1=60...(17) HB3 SER 59 - HG2 GLU 63 far 0 57 0 - 5.0-7.7 HA GLU 16 - HG2 GLU 17 far 0 53 0 - 5.3-7.4 HA GLU 17 - HG3 GLU 16 far 0 45 0 - 6.1-6.6 HA GLU 16 - HG2 GLU 23 far 0 100 0 - 6.8-8.1 HA GLU 17 - HG2 GLU 23 far 0 96 0 - 8.0-8.7 HA LYS 20 - HG2 GLU 17 far 0 50 0 - 8.2-9.5 HA LYS 20 - HG3 GLU 16 far 0 45 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 10471 from cnoeabs.peaks (4.05, 2.49, 36.23 ppm; 4.39 A increased from 4.13 A): 2 out of 6 assignments used, quality = 0.84: HA LYS 20 + HG3 GLU 23 OK 75 100 90 84 3.8-5.0 855/1042=60...(5) HA GLU 95 + HG3 GLU 98 OK 36 51 95 74 3.3-4.7 4368/3.0=44...(5) HB3 SER 59 - HG3 GLU 63 far 0 51 0 - 6.0-7.8 HA GLU 16 - HG3 GLU 23 far 0 100 0 - 7.8-9.3 HA LYS 66 - HG3 GLU 63 far 0 41 0 - 8.5-9.4 HA GLU 17 - HG3 GLU 23 far 0 100 0 - 9.0-10.0 Violated in 0 structures by 0.00 A. Peak 10472 from cnoeabs.peaks (1.57, 4.41, 51.21 ppm; 4.60 A): 1 out of 5 assignments used, quality = 0.86: HG LEU 27 + HA ALA 25 OK 86 87 100 99 4.0-4.4 8618/6412=49...(14) HG2 LYS 24 - HA ALA 25 far 5 98 5 - 4.4-6.7 HD3 LYS 94 - HA ALA 25 far 0 87 0 - 7.4-10.5 HB2 LEU 3 - HA ALA 25 far 0 91 0 - 8.1-8.9 HB3 LEU 29 - HA ALA 25 far 0 90 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 10473 from cnoeabs.peaks (4.12, 1.34, 18.52 ppm; 5.23 A increased from 4.92 A): 2 out of 3 assignments used, quality = 0.99: HA LYS 24 + QB ALA 25 OK 96 96 100 100 4.9-5.0 4.8=100 HA GLU 23 + QB ALA 25 OK 79 79 100 100 5.0-5.2 3.6/8607=76...(10) HA GLU 99 - QB ALA 25 far 0 100 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 10474 from cnoeabs.peaks (4.10, 4.41, 51.21 ppm; 5.20 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 24 + HA ALA 25 OK 100 100 100 100 4.6-4.7 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 4.7-5.0 4.3/8622=80...(8) HA LEU 55 - QB ALA 25 far 0 100 0 - 9.4-10.4 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 3.1-3.7 6419/6413=61...(13) H SER 97 + QB ALA 25 OK 42 73 60 95 3.8-4.4 3.0/10069=47...(9) H LYS 94 - QB ALA 25 far 0 96 0 - 4.7-5.2 H GLU 23 - QB ALA 25 far 0 81 0 - 4.8-5.2 H PHE 96 - QB ALA 25 far 0 65 0 - 5.3-5.9 Violated in 0 structures by 0.00 A. Peak 10477 from cnoeabs.peaks (7.71, 4.36, 54.31 ppm; 4.89 A increased from 4.60 A): 1 out of 2 assignments used, quality = 1.00: H ALA 25 + HA ASN 26 OK 100 100 100 100 4.4-4.6 6409/6414=97...(10) H MET 21 - HA ASN 26 far 0 90 0 - 10.0-10.3 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 95 3.5-4.2 8637/6434=72...(6) HA LYS 24 - HA ASN 26 far 0 59 0 - 5.2-5.5 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 5 assignments used, quality = 0.00: HB2 SER 102 - HB3 ASN 26 far 0 96 0 - 8.3-21.3 HA LYS 94 - HB3 ASN 26 far 0 98 0 - 9.0-10.8 HA3 GLY 101 - HB3 ASN 26 far 0 96 0 - 9.1-16.4 HA2 GLY 100 - HB3 ASN 26 far 0 98 0 - 9.1-13.6 HA2 GLY 101 - HB3 ASN 26 far 0 98 0 - 9.6-16.5 Violated in 20 structures by 2.95 A. Peak 10482 from cnoeabs.peaks (1.15, 1.46, 44.09 ppm; 5.02 A): 2 out of 3 assignments used, quality = 0.94: HB3 LEU 3 + HB2 LEU 27 OK 80 100 80 100 4.6-5.5 10133/3.1=85...(17) HB2 LEU 29 + HB2 LEU 27 OK 69 100 100 69 3.9-4.5 10498/8633=41...(5) QG2 THR 31 - HB2 LEU 27 far 0 98 0 - 9.8-10.2 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 7 assignments used, quality = 1.00: HA ALA 22 + HG LEU 27 OK 100 100 100 100 4.1-4.7 8636/3.0=78...(10) HA SER 97 + HG LEU 27 OK 98 98 100 100 4.2-5.1 8640/2.1=87, 8641/2.1=68...(14) HA LYS 94 - HG LEU 27 far 0 65 0 - 6.1-6.9 HA2 GLY 101 - HG LEU 27 far 0 65 0 - 7.5-12.8 HB3 SER 102 - HG LEU 27 far 0 93 0 - 7.7-17.0 HA2 GLY 100 - HG LEU 27 far 0 65 0 - 8.1-10.2 HA ARG 19 - HG LEU 27 far 0 92 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 10484 from cnoeabs.peaks (1.86, 0.77, 26.59 ppm; 5.06 A increased from 4.76 A): 1 out of 6 assignments used, quality = 0.87: HB VAL 5 + QD1 LEU 27 OK 87 100 100 87 4.5-4.8 ~8634=52, ~8633=51...(7) HB2 LYS 53 - QD1 LEU 27 far 0 92 0 - 6.9-7.5 HB VAL 54 - QD1 LEU 27 far 0 87 0 - 8.3-9.3 HB3 LYS 90 - QD1 LEU 27 far 0 82 0 - 8.8-9.4 HB3 LEU 57 - QD1 LEU 27 far 0 63 0 - 8.9-9.4 HB2 ARG 19 - QD1 LEU 27 far 0 75 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 10485 from cnoeabs.peaks (2.02, 0.77, 26.59 ppm; 5.37 A): 1 out of 8 assignments used, quality = 0.80: HG12 ILE 93 + QD1 LEU 27 OK 80 97 100 82 4.7-5.1 4.0/10140=45, ~11000=37...(7) HB2 GLU 99 - QD1 LEU 27 far 0 92 0 - 6.0-8.6 HB3 LYS 94 - QD1 LEU 27 far 0 100 0 - 6.0-6.8 HB2 GLU 98 - QD1 LEU 27 far 0 91 0 - 6.5-7.0 HB3 GLU 99 - QD1 LEU 27 far 0 97 0 - 7.1-8.7 HB2 MET 21 - QD1 LEU 27 far 0 82 0 - 7.1-7.7 HB3 GLU 98 - QD1 LEU 27 far 0 92 0 - 7.5-7.8 HB3 MET 1 - QD1 LEU 27 far 0 91 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 10487 from cnoeabs.peaks (5.13, 0.77, 26.59 ppm; 5.52 A): 3 out of 5 assignments used, quality = 1.00: HA LEU 3 + QD1 LEU 27 OK 100 100 100 100 4.7-5.5 3.0/10134=89...(13) HA TYR 4 + QD1 LEU 27 OK 99 99 100 99 4.1-4.9 8139/3.1=74, 8123/4.7=67...(8) HA VAL 5 + QD1 LEU 27 OK 76 79 100 96 5.4-5.8 3.0/10484=77, ~8634=48...(5) HA VAL 54 - QD1 LEU 27 far 4 87 5 - 5.8-6.9 HA ILE 7 - QD1 LEU 27 far 0 100 0 - 9.7-10.1 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 4.2-5.0 3.0/10132=88...(12) HA TYR 4 + QD2 LEU 27 OK 87 98 95 94 4.1-5.2 8139/3.1=55...(7) HA VAL 54 - QD2 LEU 27 far 0 79 0 - 6.8-7.6 HA VAL 5 - QD2 LEU 27 far 0 87 0 - 6.8-7.5 Violated in 0 structures by 0.00 A. Peak 10490 from cnoeabs.peaks (8.93, 1.56, 30.51 ppm; 5.66 A increased from 5.03 A): 1 out of 1 assignment used, quality = 0.99: H VAL 5 + HB3 GLU 28 OK 99 99 100 100 5.1-5.4 8188/1.8=91, 146/8657=84...(7) Violated in 0 structures by 0.00 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...(6) 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 11 assignments used, quality = 1.00: QG1 VAL 5 + HB2 LEU 29 OK 94 94 100 100 3.5-4.2 2.1/8191=85, 8667/2.9=76...(22) QG2 ILE 93 + HB2 LEU 29 OK 85 100 100 86 3.9-4.5 10322/10498=44...(7) QD1 ILE 93 + HB2 LEU 29 OK 56 85 90 72 4.0-5.3 10327/8577=56, ~10497=18...(4) QD1 LEU 27 + HB2 LEU 29 OK 34 87 60 66 5.0-5.4 10484/8191=41...(4) HG13 ILE 93 - HB2 LEU 29 far 0 100 0 - 6.2-7.0 QD2 LEU 27 - HB2 LEU 29 far 0 96 0 - 6.4-6.7 QG1 VAL 54 - HB2 LEU 29 far 0 95 0 - 6.7-7.6 QD1 LEU 6 - HB2 LEU 29 far 0 84 0 - 7.9-8.3 QD2 LEU 14 - HB2 LEU 29 far 0 65 0 - 9.2-9.8 QD1 ILE 15 - HB2 LEU 29 far 0 96 0 - 9.8-10.6 HG13 ILE 15 - HB2 LEU 29 far 0 99 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 10497 from cnoeabs.peaks (0.74, 1.60, 44.91 ppm; 5.37 A increased from 5.05 A): 3 out of 11 assignments used, quality = 1.00: QG1 VAL 5 + HB3 LEU 29 OK 94 94 100 100 4.7-5.5 8667/2.9=84, ~8191=74...(21) QG2 ILE 93 + HB3 LEU 29 OK 92 100 100 92 5.1-5.6 11002/8571=52...(7) QD1 ILE 93 + HB3 LEU 29 OK 42 85 55 89 4.8-6.1 10327/8581=68...(5) QD1 LEU 27 - HB3 LEU 29 far 0 87 0 - 6.3-6.6 QD2 LEU 27 - HB3 LEU 29 far 0 96 0 - 7.3-7.7 HG13 ILE 93 - HB3 LEU 29 far 0 100 0 - 7.6-8.4 QG1 VAL 54 - HB3 LEU 29 far 0 95 0 - 7.7-8.5 QD1 LEU 6 - HB3 LEU 29 far 0 84 0 - 8.4-8.7 QD2 LEU 14 - HB3 LEU 29 far 0 65 0 - 9.3-10.0 QD1 ILE 15 - HB3 LEU 29 far 0 96 0 - 9.4-10.0 HG13 ILE 15 - HB3 LEU 29 far 0 99 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 10498 from cnoeabs.peaks (0.94, 1.16, 44.91 ppm; 6.03 A): 1 out of 3 assignments used, quality = 0.99: QG2 VAL 5 + HB2 LEU 29 OK 99 99 100 100 3.4-3.9 2.1/8191=97...(26) HG LEU 55 - HB2 LEU 29 far 0 84 0 - 7.8-9.1 QG2 VAL 83 - HB2 LEU 29 far 0 85 0 - 9.8-10.5 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 2.7-4.1 8673/2.1=85...(19) HB ILE 15 - QD1 LEU 29 far 0 96 0 - 6.7-7.5 HB2 GLU 28 - QD1 LEU 29 far 0 100 0 - 7.1-7.3 HD2 LYS 90 - QD1 LEU 29 far 0 100 0 - 8.4-9.1 HB ILE 56 - QD1 LEU 29 far 0 93 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 10500 from cnoeabs.peaks (0.94, 0.65, 26.64 ppm; 3.88 A): 1 out of 5 assignments used, quality = 1.00: QG2 VAL 5 + QD1 LEU 29 OK 100 100 100 100 2.9-3.8 2.1/8192=72, ~8675=38...(20) HG LEU 55 - QD1 LEU 29 far 0 90 0 - 5.7-7.1 QG2 VAL 83 - QD1 LEU 29 far 0 91 0 - 6.5-7.1 QG1 VAL 32 - QD1 LEU 29 far 0 65 0 - 8.6-8.9 QG2 THR 80 - QD1 LEU 29 far 0 61 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 10501 from cnoeabs.peaks (0.80, 0.64, 24.70 ppm; 3.22 A increased from 3.03 A): 2 out of 13 assignments used, quality = 0.96: QG2 ILE 7 + QD2 LEU 29 OK 94 100 100 94 2.7-3.4 8282/8731=49, 255=35...(16) QG2 ILE 15 + QD2 LEU 29 OK 34 97 40 89 3.3-3.8 10123/8731=50...(14) QD1 ILE 93 - QD2 LEU 29 far 0 84 0 - 4.0-5.0 QG2 VAL 32 - QD2 LEU 29 far 0 65 0 - 5.5-6.3 QD1 ILE 15 - QD2 LEU 29 far 0 65 0 - 5.9-6.4 QD2 LEU 57 - QD2 LEU 29 far 0 100 0 - 6.2-7.8 QD1 LEU 6 - QD2 LEU 29 far 0 85 0 - 6.3-6.9 QG1 VAL 54 - QD2 LEU 29 far 0 70 0 - 6.5-7.4 QD1 LEU 27 - QD2 LEU 29 far 0 82 0 - 6.7-7.1 QD2 LEU 38 - QD2 LEU 29 far 0 82 0 - 6.9-7.9 QD1 LEU 57 - QD2 LEU 29 far 0 73 0 - 7.5-8.2 QG2 ILE 8 - QD2 LEU 29 far 0 99 0 - 7.8-8.7 QD2 LEU 42 - QD2 LEU 29 far 0 79 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 10502 from cnoeabs.peaks (3.81, 1.44, 27.00 ppm; 5.13 A): 2 out of 8 assignments used, quality = 1.00: HA ARG 19 + HG LEU 29 OK 100 100 100 100 4.3-4.9 8685/2.1=95, ~8674=60...(16) HA ALA 71 + HG13 ILE 76 OK 51 51 100 100 4.5-5.3 9648/3.0=63, ~10834=58...(15) HA ALA 22 - HG LEU 29 far 0 96 0 - 6.3-6.6 HA ALA 18 - HG LEU 29 far 0 68 0 - 6.5-6.9 HA LYS 68 - HG LEU 38 far 0 73 0 - 6.6-7.5 HA ALA 71 - HG LEU 38 far 0 42 0 - 7.2-7.9 HA LYS 68 - HG13 ILE 76 far 0 84 0 - 9.5-10.0 HA SER 97 - HG13 ILE 52 far 0 66 0 - 10.0-10.9 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 4.4-5.0 6354/8568=92...(8) H LYS 94 - QD1 LEU 29 far 0 85 0 - 6.8-7.5 Violated in 0 structures by 0.00 A. Peak 10504 from cnoeabs.peaks (8.65, 0.65, 26.64 ppm; 5.72 A): 1 out of 2 assignments used, quality = 1.00: H ALA 18 + QD1 LEU 29 OK 100 100 100 100 4.3-4.9 2.9/8672=100...(7) H LEU 55 - QD1 LEU 29 far 0 97 0 - 6.3-6.9 Violated in 0 structures by 0.00 A. Peak 10506 from cnoeabs.peaks (7.79, 2.67, 42.61 ppm; 4.68 A): 1 out of 3 assignments used, quality = 1.00: HE ARG 30 + HD2 ARG 30 OK 100 100 100 100 2.3-2.9 2.9=100 H TYR 41 - HD2 ARG 30 far 0 77 0 - 6.2-8.9 H GLU 28 - HD2 ARG 30 far 0 100 0 - 6.3-10.1 Violated in 0 structures by 0.00 A. Peak 10507 from cnoeabs.peaks (7.79, 3.08, 42.61 ppm; 4.86 A): 1 out of 3 assignments used, quality = 1.00: HE ARG 30 + HD3 ARG 30 OK 100 100 100 100 2.3-2.9 2.9=100 H TYR 41 - HD3 ARG 30 far 0 77 0 - 6.2-9.6 H GLU 28 - HD3 ARG 30 far 0 100 0 - 7.2-10.4 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 3 assignments used, quality = 0.88: HE ARG 30 + HG2 ARG 30 OK 88 88 100 100 2.1-4.0 4.0=100 H TYR 41 - HG2 ARG 30 far 0 99 0 - 6.7-8.2 H GLU 28 - HG2 ARG 30 far 0 97 0 - 7.0-8.5 Violated in 0 structures by 0.00 A. Peak 10509 from cnoeabs.peaks (7.83, 1.60, 32.55 ppm; 6.50 A increased from 6.21 A): 1 out of 3 assignments used, quality = 0.86: H TYR 41 + HB2 ARG 30 OK 86 100 100 86 6.5-6.6 6.6/8906=54...(3) H GLU 28 - HB2 ARG 30 far 0 73 0 - 9.4-9.8 H SER 9 - HB2 ARG 30 far 0 93 0 - 9.6-9.9 Violated in 20 structures by 0.05 A. Peak 10511 from cnoeabs.peaks (2.06, 1.29, 26.44 ppm; 6.50 A increased from 5.82 A): 2 out of 3 assignments used, quality = 0.83: HG3 GLU 28 + HG2 ARG 30 OK 61 100 90 68 5.1-7.6 5.0/8665=58...(3) HG2 GLU 28 + HG2 ARG 30 OK 58 100 85 68 4.9-7.3 5.0/8665=58...(3) HB3 GLU 43 - HG2 ARG 30 far 0 100 0 - 9.6-11.4 Violated in 0 structures by 0.00 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 4.4-4.9 8314=100, 8346/6507=70...(7) HE ARG 30 - QG2 THR 31 poor 7 88 30 28 4.7-8.1 7.4/8742=26 H LYS 20 - QG2 THR 31 far 0 92 0 - 6.8-7.7 H TYR 41 - QG2 THR 31 far 0 99 0 - 9.6-9.8 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 23 assignments used, quality = 1.00: QD1 ILE 8 + HB VAL 32 OK 100 100 100 100 2.4-3.2 12200=100, 2.1/12204=77...(13) QD2 LEU 6 + HB VAL 32 OK 75 79 100 95 3.9-4.2 ~10159=43, ~10160=36...(13) QG1 VAL 58 - HB VAL 32 far 0 100 0 - 5.1-5.7 QD1 ILE 56 - HB VAL 32 far 0 99 0 - 6.3-6.7 HG13 ILE 56 - HB VAL 32 far 0 100 0 - 6.3-6.7 QD1 ILE 8 - HB2 LYS 33 far 0 70 0 - 7.1-7.6 QD1 ILE 8 - HB3 LYS 33 far 0 65 0 - 7.1-7.6 QG1 VAL 5 - HB VAL 32 far 0 99 0 - 7.5-7.8 QD1 LEU 42 - HB VAL 32 far 0 82 0 - 7.5-7.8 QD2 LEU 14 - HB VAL 32 far 0 100 0 - 7.7-8.2 QG2 VAL 58 - HB VAL 32 far 0 57 0 - 7.7-8.2 HG13 ILE 15 - HB VAL 32 far 0 59 0 - 7.7-9.3 QD2 LEU 6 - HB2 LYS 33 far 0 49 0 - 8.3-8.6 HG13 ILE 15 - HB3 LYS 33 far 0 32 0 - 8.7-9.9 QD2 LEU 6 - HB3 LYS 33 far 0 45 0 - 8.9-9.1 QG1 VAL 58 - HB3 LYS 33 far 0 65 0 - 9.1-9.9 QD2 LEU 14 - HB3 LYS 33 far 0 64 0 - 9.2-9.6 QG2 VAL 78 - HB VAL 32 far 0 100 0 - 9.3-9.7 QD1 LEU 64 - HB VAL 32 far 0 84 0 - 9.3-10.1 QG1 VAL 78 - HB VAL 32 far 0 77 0 - 9.4-9.9 QG1 VAL 58 - HB2 LYS 33 far 0 70 0 - 9.4-10.2 HG13 ILE 15 - HB2 LYS 33 far 0 35 0 - 9.7-11.0 QD1 LEU 14 - HB VAL 32 far 0 61 0 - 10.0-10.4 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 3.6-3.8 6517/3.0=74, 8749/3.6=71...(9) HG13 ILE 8 - HA LYS 33 poor 8 91 30 29 4.4-7.1 ~9314=14, 8296/11114=12 HG13 ILE 7 - HA LYS 33 far 0 96 0 - 7.9-10.0 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 2 assignments used, quality = 0.99: QG2 THR 34 + HG2 LYS 33 OK 99 100 100 100 4.1-4.1 8755=78, 6542/6534=56...(10) QG2 THR 31 - HG2 LYS 33 far 0 82 0 - 5.9-6.4 Violated in 0 structures by 0.00 A. Peak 10523 from cnoeabs.peaks (-0.17, 1.72, 28.64 ppm; 5.77 A): 0 out of 0 assignments used, quality = 0.00: Peak 10524 from cnoeabs.peaks (8.19, 4.59, 73.02 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: H ASP 36 + HB THR 34 OK 100 100 100 100 3.0-3.4 8794=97, 6556/6547=51...(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 4.1-4.6 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 25 assignments used, quality = 1.00: QD1 LEU 70 + HG2 GLU 35 OK 90 96 100 94 1.9-3.4 10420/2.9=43...(13) QD1 LEU 70 + HG3 GLU 35 OK 88 96 100 92 1.9-2.3 10420/2.9=43...(13) QD2 LEU 70 + HG2 GLU 35 OK 86 96 100 89 2.2-3.2 ~10608=23, ~10420=23...(15) QD2 LEU 70 + HG3 GLU 35 OK 80 96 95 88 2.4-3.7 ~10608=23, ~10420=23...(13) QD1 ILE 76 - HG2 GLU 43 far 0 99 0 - 4.7-6.1 QD2 LEU 38 - HG3 GLU 35 far 0 94 0 - 5.5-7.3 QD2 LEU 38 - HG2 GLU 35 far 0 94 0 - 5.9-7.3 QD1 ILE 76 - HG2 GLU 75 far 0 44 0 - 6.1-7.5 QD1 ILE 76 - HG3 GLU 75 far 0 46 0 - 6.1-7.5 QD2 LEU 70 - HG2 GLU 43 far 0 100 0 - 6.8-7.6 QG2 VAL 32 - HG2 GLU 35 far 0 86 0 - 6.8-8.3 QG2 VAL 32 - HG3 GLU 35 far 0 86 0 - 7.0-8.5 QG2 ILE 8 - HG3 GLU 35 far 0 79 0 - 7.2-9.1 QD1 LEU 70 - HG2 GLU 43 far 0 100 0 - 7.6-8.5 QG2 ILE 8 - HG2 GLU 35 far 0 79 0 - 7.7-9.2 QD2 LEU 103 - HG2 GLU 98 far 0 38 0 - 8.0-16.2 QG2 VAL 32 - HG2 GLU 43 far 0 92 0 - 8.3-9.5 QD2 LEU 38 - HG2 GLU 43 far 0 99 0 - 8.5-9.3 QD1 ILE 76 - HG2 GLU 35 far 0 94 0 - 8.6-10.1 QD1 ILE 76 - HG3 GLU 35 far 0 94 0 - 8.7-10.2 QD2 LEU 70 - HG3 GLU 75 far 0 49 0 - 9.1-11.2 QG2 ILE 52 - HG2 GLU 75 far 0 27 0 - 9.2-10.4 QG2 ILE 52 - HG2 GLU 43 far 0 71 0 - 9.2-10.2 QD2 LEU 70 - HG2 GLU 75 far 0 46 0 - 9.2-11.3 QG2 ILE 52 - HG3 GLU 75 far 0 29 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 10527 from cnoeabs.peaks (0.80, 2.08, 29.38 ppm; 4.01 A): 1 out of 23 assignments used, quality = 0.91: QD1 LEU 70 + HB3 GLU 35 OK 91 94 100 97 3.1-4.0 10609/3.0=67...(11) QD2 LEU 70 - HB3 GLU 35 far 10 99 10 - 4.2-5.4 QG2 ILE 15 - HB2 GLU 16 far 0 89 0 - 4.9-5.7 QD1 ILE 15 - HB2 GLU 16 far 0 52 0 - 5.8-7.1 QD1 ILE 76 - HB3 GLU 43 far 0 85 0 - 6.0-6.4 QD2 LEU 38 - HB3 GLU 35 far 0 85 0 - 6.2-6.8 QG2 ILE 8 - HB3 GLU 35 far 0 99 0 - 6.5-7.5 QD2 LEU 42 - HB3 GLU 43 far 0 57 0 - 6.7-7.0 QG2 VAL 32 - HB3 GLU 35 far 0 70 0 - 7.3-7.8 QG2 ILE 7 - HB2 GLU 16 far 0 93 0 - 7.4-8.0 QD1 LEU 6 - HB3 GLU 43 far 0 64 0 - 7.5-7.9 QD1 ILE 93 - HB2 GLU 16 far 0 70 0 - 7.9-8.4 QD1 ILE 93 - HB2 GLU 23 far 0 65 0 - 8.0-9.1 QD1 LEU 27 - HB2 GLU 23 far 0 63 0 - 8.3-8.7 QG2 VAL 32 - HB3 GLU 43 far 0 53 0 - 8.6-9.2 QD2 LEU 70 - HB3 GLU 43 far 0 82 0 - 8.7-9.8 QG1 VAL 54 - HB3 GLU 43 far 0 49 0 - 8.8-9.5 QD2 LEU 38 - HB3 GLU 43 far 0 67 0 - 8.8-9.5 QD1 LEU 6 - HB3 GLU 35 far 0 82 0 - 8.9-9.6 QG2 ILE 52 - HB3 GLU 43 far 0 74 0 - 9.1-9.4 QD1 LEU 70 - HB3 GLU 43 far 0 75 0 - 9.1-10.3 QD2 LEU 42 - HB3 GLU 35 far 0 75 0 - 9.6-10.4 QG2 ILE 15 - HB2 GLU 23 far 0 84 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 10528 from cnoeabs.peaks (2.88, 2.20, 36.41 ppm; 4.98 A increased from 3.98 A): 5 out of 11 assignments used, quality = 0.94: HE3 LYS 39 + HG2 GLU 35 OK 68 100 85 80 3.4-5.7 4.9/10576=40...(9) HE2 LYS 39 + HG2 GLU 35 OK 54 98 75 73 3.4-6.2 4.9/10576=40...(8) HE3 LYS 39 + HG3 GLU 35 OK 32 100 70 46 3.4-7.4 ~10578=14, 4.9/10576=10...(9) HE2 LYS 66 + HG3 GLU 35 OK 31 99 35 90 3.3-8.1 2.9/12308=79...(9) HE3 LYS 66 + HG3 GLU 35 OK 21 95 25 89 3.7-7.8 2.9/12308=79...(8) HE2 LYS 66 - HG2 GLU 35 far 15 99 15 - 3.9-9.4 HE2 LYS 39 - HG3 GLU 35 poor 13 98 30 45 4.0-6.7 ~10578=14, 4.9/10576=10...(8) HE3 LYS 66 - HG2 GLU 35 far 9 95 10 - 5.0-9.3 HE3 LYS 39 - HG2 GLU 43 far 0 96 0 - 5.9-7.7 HE2 LYS 39 - HG2 GLU 43 far 0 92 0 - 6.3-7.8 HE2 LYS 39 - HG2 GLU 75 far 0 45 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 10529 from cnoeabs.peaks (2.92, 2.12, 29.31 ppm; 5.75 A increased from 5.11 A): 5 out of 12 assignments used, quality = 0.96: HE2 LYS 66 + HB2 GLU 69 OK 66 77 95 91 3.9-6.2 6.1/2883=50...(14) HE3 LYS 66 + HB2 GLU 69 OK 58 86 75 90 3.8-6.7 6.1/2883=50...(14) HE2 LYS 66 + HB3 GLU 69 OK 40 77 65 80 4.4-7.0 ~10802=27, ~12288=22...(14) HE3 LYS 66 + HB3 GLU 69 OK 38 86 55 80 4.3-7.5 ~10802=27, ~12288=22...(14) HE3 LYS 68 + HB2 GLU 69 OK 32 94 35 97 4.9-7.6 12281/3.0=90...(11) HE3 LYS 68 - HB3 GLU 69 poor 19 94 20 - 5.8-8.4 HE2 LYS 73 - HB2 GLU 69 far 12 80 15 - 4.8-9.2 HE2 LYS 73 - HB3 GLU 69 poor 11 80 65 22 3.1-7.9 10818/10816=11...(3) HE3 LYS 73 - HB3 GLU 69 poor 9 87 45 23 3.6-7.0 10818/10816=12...(3) HE3 LYS 73 - HB2 GLU 69 far 9 87 10 - 5.4-8.4 HE2 LYS 68 - HB2 GLU 69 far 0 95 0 - 6.2-7.9 HE2 LYS 68 - HB3 GLU 69 far 0 95 0 - 6.8-8.9 Violated in 0 structures by 0.00 A. Peak 10530 from cnoeabs.peaks (2.91, 2.07, 29.31 ppm; 6.17 A increased from 4.93 A): 4 out of 21 assignments used, quality = 1.00: HE2 LYS 20 + HB2 GLU 16 OK 98 98 100 99 3.1-6.2 3.0/12058=94, ~9580=27...(16) HE3 LYS 20 + HB2 GLU 16 OK 93 98 95 99 4.2-6.5 3.0/12058=94, ~9580=27...(16) HE3 LYS 66 + HB3 GLU 35 OK 49 97 55 93 5.0-8.4 ~12308=66, ~12289=38...(8) HE2 LYS 66 + HB3 GLU 35 OK 30 94 35 93 4.7-8.6 ~12308=66, ~12289=38...(8) HE2 LYS 94 - HB2 GLU 98 poor 20 57 35 - 4.4-8.9 HE3 LYS 39 - HB3 GLU 35 poor 17 70 25 - 6.3-8.4 HE3 LYS 94 - HB3 GLU 98 poor 14 57 25 - 5.3-9.3 HE2 LYS 39 - HB3 GLU 35 poor 12 58 20 - 6.0-8.4 HE2 LYS 94 - HB3 GLU 98 poor 11 54 20 - 5.0-10.0 HE3 LYS 94 - HB2 GLU 98 lone 2 60 40 7 4.5-8.4 936/4.0=4, 852/4368=2 HE3 LYS 20 - HB2 GLU 23 far 0 88 0 - 6.7-10.9 HE3 LYS 90 - HB2 GLU 16 far 0 78 0 - 6.9-9.3 HE3 LYS 39 - HB3 GLU 43 far 0 68 0 - 7.8-10.0 HE2 LYS 20 - HB2 GLU 23 far 0 88 0 - 8.4-10.6 HE3 LYS 73 - HB3 GLU 35 far 0 60 0 - 8.5-13.8 HE2 LYS 39 - HB3 GLU 43 far 0 56 0 - 8.7-10.0 HG2 MET 21 - HB2 GLU 16 far 0 71 0 - 8.7-10.7 HE2 LYS 94 - HB2 GLU 99 far 0 53 0 - 8.9-11.7 HE3 LYS 94 - HB2 GLU 99 far 0 56 0 - 9.3-13.0 HB2 ASN 60 - HB3 GLU 35 far 0 91 0 - 9.9-11.5 HG2 MET 21 - HB2 GLU 23 far 0 60 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 10531 from cnoeabs.peaks (1.33, 2.19, 36.31 ppm; 4.73 A increased from 4.45 A): 2 out of 20 assignments used, quality = 0.94: HG2 LYS 39 + HG2 GLU 43 OK 86 96 90 100 3.4-5.2 10573=81, 1.8/10575=75...(10) HB3 LEU 42 + HG2 GLU 43 OK 60 84 80 90 4.2-5.5 4.6/1977=59...(6) HG3 LYS 40 - HG2 GLU 43 far 4 77 5 - 4.8-7.5 HG2 LYS 94 - HG2 GLU 98 far 2 40 5 - 4.9-8.7 HG2 LYS 39 - HG2 GLU 35 far 0 90 0 - 5.2-6.6 HG2 LYS 39 - HG3 GLU 35 far 0 90 0 - 5.3-7.7 QB ALA 25 - HG2 GLU 98 far 0 40 0 - 5.5-6.8 QB ALA 67 - HG3 GLU 35 far 0 95 0 - 5.8-7.7 QB ALA 67 - HG2 GLU 35 far 0 95 0 - 6.1-8.1 HB3 LEU 42 - HG3 GLU 75 far 0 35 0 - 8.9-11.0 HG12 ILE 8 - HG3 GLU 35 far 0 64 0 - 8.9-11.2 HB3 LEU 42 - HG2 GLU 75 far 0 33 0 - 9.0-11.1 HG3 LYS 40 - HG2 GLU 35 far 0 71 0 - 9.0-11.1 HB3 LEU 42 - HG2 GLU 35 far 0 78 0 - 9.0-10.8 HB3 LEU 42 - HG3 GLU 35 far 0 78 0 - 9.1-11.2 HG12 ILE 8 - HG2 GLU 35 far 0 64 0 - 9.3-11.0 HG3 LYS 40 - HG3 GLU 35 far 0 71 0 - 9.4-12.1 HG3 LYS 68 - HG3 GLU 35 far 0 86 0 - 9.5-11.5 HG2 LYS 39 - HG2 GLU 75 far 0 41 0 - 9.8-12.5 HG2 LYS 39 - HG3 GLU 75 far 0 43 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 10532 from cnoeabs.peaks (1.45, 2.19, 36.31 ppm; 3.88 A): 3 out of 21 assignments used, quality = 0.90: HG3 LYS 39 + HG2 GLU 43 OK 79 99 85 95 3.2-6.2 10575=49, 10604/1.8=48...(10) HB2 LEU 38 + HG2 GLU 35 OK 38 96 50 79 3.5-5.3 6598/8954=27...(8) HB2 LEU 38 + HG3 GLU 35 OK 21 96 35 63 3.4-6.2 1627/4.1=22...(7) HG LEU 38 - HG3 GLU 35 far 0 96 0 - 4.4-6.9 HG3 LYS 39 - HG2 GLU 35 far 0 94 0 - 4.6-7.8 HG LEU 38 - HG2 GLU 35 far 0 96 0 - 5.1-7.0 HG2 LYS 66 - HG3 GLU 35 far 0 54 0 - 5.2-7.6 HG3 LYS 39 - HG3 GLU 35 far 0 94 0 - 5.6-8.2 HG2 LYS 66 - HG2 GLU 35 far 0 54 0 - 5.8-8.5 HG13 ILE 76 - HG2 GLU 75 far 0 41 0 - 5.9-7.2 HG13 ILE 76 - HG3 GLU 75 far 0 43 0 - 6.0-7.3 HD2 LYS 40 - HG2 GLU 43 far 0 98 0 - 6.4-8.8 HD3 LYS 40 - HG2 GLU 43 far 0 98 0 - 6.6-9.4 HG2 LYS 47 - HG2 GLU 43 far 0 59 0 - 7.0-9.1 HG13 ILE 76 - HG2 GLU 43 far 0 96 0 - 7.3-9.0 HB2 LEU 38 - HG2 GLU 43 far 0 100 0 - 8.3-9.5 HD2 LYS 40 - HG2 GLU 35 far 0 93 0 - 9.3-11.3 HD3 LYS 40 - HG2 GLU 35 far 0 92 0 - 9.5-12.3 HD2 LYS 40 - HG3 GLU 35 far 0 93 0 - 9.7-12.1 HG3 ARG 91 - HG2 GLU 98 far 0 42 0 - 9.7-11.8 HG LEU 38 - HG2 GLU 43 far 0 100 0 - 10.0-10.8 Violated in 1 structures by 0.03 A. Peak 10533 from cnoeabs.peaks (1.64, 2.19, 36.31 ppm; 4.01 A): 0 out of 31 assignments used, quality = 0.00: HD2 LYS 39 - HG2 GLU 35 far 5 93 5 - 3.7-7.0 HD2 LYS 39 - HG3 GLU 35 far 0 93 0 - 4.4-7.3 HB2 LYS 40 - HG2 GLU 43 far 0 100 0 - 4.9-7.0 HD3 LYS 39 - HG2 GLU 43 far 0 100 0 - 4.9-5.8 HD2 LYS 94 - HG2 GLU 98 far 0 36 0 - 5.0-9.5 HD2 LYS 39 - HG2 GLU 43 far 0 98 0 - 5.3-6.5 HD3 LYS 39 - HG2 GLU 35 far 0 97 0 - 5.4-7.7 HD3 LYS 73 - HG2 GLU 75 far 0 36 0 - 5.5-9.4 HD3 LYS 73 - HG3 GLU 75 far 0 38 0 - 5.8-10.8 HD3 LYS 39 - HG3 GLU 35 far 0 97 0 - 6.1-8.3 HD2 LYS 73 - HG2 GLU 75 far 0 34 0 - 6.1-9.8 HD3 LYS 47 - HG2 GLU 43 far 0 59 0 - 6.6-9.6 HD2 LYS 73 - HG3 GLU 75 far 0 36 0 - 6.8-11.0 HG3 LYS 47 - HG2 GLU 43 far 0 92 0 - 7.2-8.6 HB ILE 76 - HG2 GLU 75 far 0 46 0 - 7.3-8.5 HB ILE 76 - HG3 GLU 75 far 0 49 0 - 7.3-8.5 HD2 LYS 73 - HG2 GLU 43 far 0 85 0 - 7.5-13.0 HB2 LYS 40 - HG2 GLU 35 far 0 96 0 - 7.5-9.5 HD2 LYS 47 - HG2 GLU 43 far 0 61 0 - 7.6-10.0 HB2 LYS 40 - HG3 GLU 35 far 0 96 0 - 7.8-9.8 HD2 LYS 73 - HG3 GLU 35 far 0 79 0 - 8.1-10.8 HD2 LYS 73 - HG2 GLU 35 far 0 79 0 - 8.1-10.7 HB ILE 76 - HG2 GLU 43 far 0 100 0 - 8.5-10.2 HD3 LYS 73 - HG3 GLU 35 far 0 82 0 - 8.8-11.2 HD3 LYS 73 - HG2 GLU 43 far 0 88 0 - 9.0-13.2 HG2 LYS 68 - HG3 GLU 35 far 0 97 0 - 9.0-11.0 HD3 LYS 73 - HG2 GLU 35 far 0 82 0 - 9.2-11.2 HG2 LYS 68 - HG2 GLU 35 far 0 97 0 - 9.5-12.2 HD3 LYS 39 - HG2 GLU 75 far 0 46 0 - 9.8-13.2 HB3 LEU 6 - HG3 GLU 35 far 0 96 0 - 9.9-12.0 HD3 LYS 39 - HG3 GLU 75 far 0 49 0 - 9.9-13.6 Violated in 7 structures by 0.02 A. Peak 10534 from cnoeabs.peaks (2.19, 4.29, 56.96 ppm; 4.54 A): 1 out of 7 assignments used, quality = 0.89: HG2 GLU 35 + HA ASP 36 OK 89 100 90 99 3.5-5.5 2.9/10536=58...(15) HG3 GLU 35 - HA ASP 36 poor 20 100 20 - 3.8-5.7 HG2 GLU 43 - HA ASP 36 far 0 100 0 - 7.3-8.8 HB2 GLU 63 - HA ASP 65 far 0 47 0 - 8.0-8.2 HB2 GLN 72 - HA ASP 65 far 0 33 0 - 8.9-9.5 HG3 GLU 35 - HA ASP 65 far 0 47 0 - 9.1-11.3 HG2 GLU 35 - HA ASP 65 far 0 47 0 - 9.7-12.5 Violated in 2 structures by 0.09 A. Peak 10535 from cnoeabs.peaks (2.11, 4.29, 56.96 ppm; 4.38 A): 2 out of 9 assignments used, quality = 0.65: HB2 LEU 64 + HA ASP 65 OK 47 47 100 100 4.4-4.5 7049/3.0=84, 3.0/8802=60...(20) HG2 GLU 69 + HA ASP 65 OK 34 40 100 84 3.5-4.1 3110/7118=42...(9) HB2 GLU 69 - HA ASP 65 far 0 40 0 - 4.7-5.1 HG3 GLU 37 - HA ASP 36 far 0 100 0 - 5.2-7.4 HB3 GLU 35 - HA ASP 36 far 0 82 0 - 5.5-5.6 HB3 LEU 38 - HA ASP 36 far 0 68 0 - 5.7-6.3 HB3 GLU 69 - HA ASP 65 far 0 40 0 - 6.1-6.4 HB3 GLU 37 - HA ASP 36 far 0 94 0 - 6.6-6.6 HB3 GLU 62 - HA ASP 65 far 0 40 0 - 7.9-8.1 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 4 assignments used, quality = 1.00: HB2 GLU 35 + HA ASP 36 OK 100 100 100 100 4.0-4.4 6558/3.0=90...(9) HB2 GLU 37 - HA ASP 36 far 0 79 0 - 5.7-6.0 QE MET 74 - HA ASP 36 far 0 100 0 - 6.7-7.3 HB2 GLU 62 - HA ASP 65 far 0 46 0 - 7.4-7.8 Violated in 0 structures by 0.00 A. Peak 10537 from cnoeabs.peaks (1.80, 4.29, 56.96 ppm; 3.68 A): 1 out of 7 assignments used, quality = 0.98: HB2 LYS 39 + HA ASP 36 OK 98 100 100 99 3.0-3.9 10560=78, 6604/8949=45...(11) HB2 LYS 68 - HA ASP 65 far 0 26 0 - 4.8-5.2 HB2 LYS 66 - HA ASP 65 far 0 24 0 - 6.6-6.6 HB3 GLU 63 - HA ASP 65 far 0 35 0 - 7.8-8.0 HB2 LEU 42 - HA ASP 36 far 0 100 0 - 8.0-8.5 HB2 LYS 66 - HA ASP 36 far 0 63 0 - 8.0-9.8 HB3 LYS 82 - HA ASP 65 far 0 22 0 - 9.5-10.2 Violated in 3 structures by 0.02 A. Peak 10539 from cnoeabs.peaks (3.89, 2.50, 40.10 ppm; 5.32 A increased from 4.73 A): 2 out of 15 assignments used, quality = 0.98: HB2 SER 85 + HB2 ASP 87 OK 96 97 100 99 3.2-5.6 8599/4.6=66, 9846/4.0=65...(9) HB2 SER 85 + HB3 ASP 87 OK 43 97 45 99 4.2-6.4 8599/4.6=66, 9846/4.0=65...(10) HA GLU 35 - HB2 ASP 36 far 5 96 5 - 5.6-6.6 HA GLU 35 - HB3 ASP 36 far 5 95 5 - 5.6-6.6 HA LYS 40 - HB3 ASP 36 far 0 79 0 - 6.0-8.0 HA LYS 40 - HB2 ASP 36 far 0 80 0 - 6.4-8.4 HA ARG 91 - HB3 ASP 87 far 0 100 0 - 7.0-8.4 HA LEU 38 - HB3 ASP 36 far 0 89 0 - 7.5-8.2 HA GLU 63 - HB2 ASP 61 far 0 55 0 - 7.5-8.0 HA LEU 38 - HB2 ASP 36 far 0 90 0 - 7.6-8.6 HA ALA 89 - HB2 ASP 87 far 0 98 0 - 7.7-8.7 HA ALA 89 - HB3 ASP 87 far 0 98 0 - 7.7-8.3 HA ARG 91 - HB2 ASP 87 far 0 100 0 - 8.1-9.0 HA TYR 41 - HB3 ASP 36 far 0 54 0 - 9.3-10.6 HA TYR 41 - HB2 ASP 36 far 0 55 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 10540 from cnoeabs.peaks (7.64, 4.29, 56.96 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.99: H LYS 40 + HA ASP 36 OK 99 99 100 100 4.1-4.5 8863=97, 6620/10537=65...(6) 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 4.6-4.9 8940=94, 6576/3.6=86...(10) Violated in 0 structures by 0.00 A. Peak 10543 from cnoeabs.peaks (3.87, 3.71, 58.70 ppm; 4.92 A increased from 3.94 A): 2 out of 6 assignments used, quality = 1.00: HA LYS 40 + HA GLU 37 OK 100 100 100 100 4.9-5.1 2.9/6615=88, 3.0/1782=86...(12) HA LEU 38 + HA GLU 37 OK 100 100 100 100 4.8-4.9 1623/6640=55...(12) HA GLU 35 - HA GLU 37 far 0 95 0 - 6.3-6.6 HA LYS 12 - HA LEU 14 far 0 40 0 - 6.4-6.7 HB2 SER 85 - HA LEU 14 far 0 26 0 - 7.5-8.2 HA ALA 89 - HA LEU 14 far 0 28 0 - 7.8-8.2 Violated in 0 structures by 0.00 A. Peak 10545 from cnoeabs.peaks (1.79, 2.07, 40.84 ppm; 6.16 A increased from 5.48 A): 1 out of 6 assignments used, quality = 1.00: HB2 LYS 39 + HB3 LEU 38 OK 100 100 100 100 3.8-6.0 6604/6599=99...(7) HB2 LEU 42 - HB3 LEU 38 far 10 98 10 - 5.9-7.4 HB2 LYS 66 - HB3 LEU 38 lone 3 81 25 16 5.9-7.0 9515/8857=11, 2884/1530=4 HB ILE 56 - HB3 LEU 38 far 0 75 0 - 8.0-8.5 HB3 GLU 63 - HB3 LEU 38 far 0 96 0 - 8.7-10.0 HB VAL 78 - HB3 LEU 38 far 0 97 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 10546 from cnoeabs.peaks (1.88, 2.07, 40.84 ppm; 6.13 A increased from 5.45 A): 2 out of 8 assignments used, quality = 1.00: HG LEU 42 + HB3 LEU 38 OK 96 96 100 100 5.0-6.2 12068/3.1=84...(9) HB3 LYS 39 + HB3 LEU 38 OK 93 93 100 100 4.0-6.4 4.0/6599=94...(6) HB3 LYS 66 - HB3 LEU 38 far 9 92 10 - 6.2-7.2 HB ILE 8 - HB3 LEU 38 far 0 97 0 - 6.9-8.7 HB2 LYS 33 - HB3 LEU 38 far 0 65 0 - 7.6-9.6 HB3 LYS 33 - HB3 LEU 38 far 0 70 0 - 8.6-10.5 HB VAL 54 - HB3 LEU 38 far 0 100 0 - 9.3-10.5 HB3 LYS 68 - HB3 LEU 38 far 0 99 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 10548 from cnoeabs.peaks (2.64, 0.86, 23.57 ppm; 4.92 A): 1 out of 4 assignments used, quality = 1.00: HB3 TYR 41 + QD1 LEU 38 OK 100 100 100 100 3.6-4.0 1.8/10549=70...(14) HG3 MET 74 - QD1 LEU 38 far 0 93 0 - 5.3-7.9 HD2 ARG 30 - QD1 LEU 38 far 0 75 0 - 8.1-10.1 HB3 ASP 65 - QD1 LEU 38 far 0 100 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 10549 from cnoeabs.peaks (2.31, 0.86, 23.57 ppm; 5.33 A increased from 5.02 A): 1 out of 5 assignments used, quality = 1.00: HB2 TYR 41 + QD1 LEU 38 OK 100 100 100 100 4.8-5.3 1.8/10548=89...(10) HG3 GLU 43 - QD1 LEU 38 far 0 98 0 - 6.8-7.7 HB2 TYR 4 - QD1 LEU 38 far 0 93 0 - 7.7-8.3 HG3 GLU 69 - QD1 LEU 38 far 0 77 0 - 8.5-9.3 HG2 GLU 63 - QD1 LEU 38 far 0 96 0 - 8.5-9.1 Violated in 2 structures by 0.00 A. Peak 10550 from cnoeabs.peaks (1.81, 1.46, 40.84 ppm; 5.44 A): 1 out of 4 assignments used, quality = 0.99: HB2 LYS 39 + HB2 LEU 38 OK 99 99 100 100 3.8-5.7 6604/6598=94...(13) HB2 LEU 42 - HB2 LEU 38 far 0 100 0 - 5.8-7.2 HB3 GLU 63 - HB2 LEU 38 far 0 79 0 - 9.0-10.4 HB VAL 78 - HB2 LEU 38 far 0 82 0 - 9.2-10.0 Violated in 1 structures by 0.01 A. Peak 10551 from cnoeabs.peaks (1.90, 1.46, 40.84 ppm; 5.40 A): 1 out of 7 assignments used, quality = 0.89: HG LEU 42 + HB2 LEU 38 OK 89 99 90 100 4.8-6.0 12068/3.1=91, 8920=51...(12) HB VAL 32 - HB2 LEU 38 far 7 65 10 - 4.3-6.0 HB ILE 8 - HB2 LEU 38 far 0 99 0 - 7.1-8.9 HB2 LYS 33 - HB2 LEU 38 far 0 98 0 - 8.0-9.8 HB3 LYS 33 - HB2 LEU 38 far 0 99 0 - 8.8-10.7 HB VAL 54 - HB2 LEU 38 far 0 93 0 - 9.4-10.2 HB3 LYS 68 - HB2 LEU 38 far 0 71 0 - 9.7-10.8 Violated in 2 structures by 0.06 A. Peak 10552 from cnoeabs.peaks (3.72, 3.86, 58.99 ppm; 4.98 A increased from 3.98 A): 2 out of 5 assignments used, quality = 1.00: HA GLU 37 + HA LYS 40 OK 99 99 100 100 4.9-5.1 6615/2.9=88, 1782/3.0=85...(12) HA LEU 42 + HA GLU 43 OK 76 77 100 99 4.8-4.9 6703/3.6=60, ~6685=49...(11) HA GLU 37 - HA GLU 35 far 0 59 0 - 6.3-6.6 HA LEU 42 - HA LYS 40 far 0 98 0 - 6.5-6.7 HA LEU 64 - HA GLU 35 far 0 37 0 - 9.0-10.1 Violated in 0 structures by 0.00 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 4.2-4.8 6681=99, 12303/9609=77...(9) H ASP 36 - HA LYS 39 far 0 96 0 - 7.5-7.7 H LYS 68 - HA LYS 39 far 0 97 0 - 9.6-10.2 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 5.4-5.5 10547=100, 6591/3.0=99...(9) H ILE 76 - HA LYS 39 far 0 79 0 - 9.2-9.8 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 4.3-4.7 6643=93, 6637/3.6=90...(13) H LYS 73 - HA LYS 39 far 0 100 0 - 8.2-9.2 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 3.0-3.9 10537=100, 8949/6604=53...(10) Violated in 0 structures by 0.00 A. Peak 10561 from cnoeabs.peaks (3.87, 1.80, 32.18 ppm; 4.40 A): 2 out of 10 assignments used, quality = 0.96: HA ARG 91 + HB2 LYS 90 OK 84 85 100 98 4.1-4.3 3.0/7433=59, 9956/3.0=49...(13) HA LYS 40 + HB2 LYS 39 OK 73 99 75 99 4.3-5.5 2.9/6620=75, ~6621=46...(13) HA GLU 35 - HB2 LYS 39 far 5 98 5 - 4.7-6.1 HA LEU 38 - HB2 LYS 39 far 0 100 0 - 5.6-5.9 HA ALA 89 - HB2 LYS 90 far 0 69 0 - 5.8-5.9 HA ALA 67 - HB2 LYS 39 far 0 92 0 - 6.7-8.7 HA ALA 71 - HB2 LYS 39 far 0 81 0 - 6.9-8.6 HA LYS 94 - HB2 LYS 90 far 0 89 0 - 7.7-8.4 HA GLU 43 - HB2 LYS 39 far 0 99 0 - 7.8-8.4 HB2 SER 85 - HB2 LYS 90 far 0 66 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 10562 from cnoeabs.peaks (4.28, 1.34, 25.61 ppm; 5.25 A): 1 out of 2 assignments used, quality = 0.46: HA ASP 65 + HG3 LYS 68 OK 46 46 100 100 3.1-3.4 9502=72, 10268/1.8=66...(16) HA ASP 36 - HG2 LYS 39 far 0 100 0 - 5.7-6.4 Violated in 0 structures by 0.00 A. Peak 10563 from cnoeabs.peaks (4.29, 1.64, 29.36 ppm; 4.37 A increased from 3.89 A): 3 out of 4 assignments used, quality = 0.98: HA ASP 65 + HD3 LYS 68 OK 79 79 100 99 2.3-4.4 9502/3.0=54...(21) HA ASP 65 + HD2 LYS 68 OK 78 78 100 99 2.0-4.3 9502/3.0=54...(22) HA ASP 36 + HD2 LYS 39 OK 54 94 60 95 4.0-5.9 10537/3.6=66...(7) HA ASP 36 - HD3 LYS 39 far 0 100 0 - 5.7-6.6 Violated in 0 structures by 0.00 A. Peak 10564 from cnoeabs.peaks (4.29, 2.87, 41.80 ppm; 4.81 A increased from 4.27 A): 2 out of 7 assignments used, quality = 0.97: HA ASP 36 + HE3 LYS 39 OK 95 99 100 96 3.4-4.8 10537/4.9=57, 8788=46...(9) HA ASP 36 + HE2 LYS 39 OK 43 100 45 95 3.4-6.3 10537/4.9=57...(8) HA ASP 65 - HE3 LYS 66 poor 10 48 20 - 4.4-8.5 HA ASP 65 - HE2 LYS 66 far 0 62 0 - 5.7-8.3 HA ASP 36 - HE2 LYS 66 far 0 73 0 - 8.7-13.2 HA ASP 36 - HE3 LYS 66 far 0 57 0 - 9.1-13.2 HA ASP 65 - HE3 LYS 82 far 0 55 0 - 9.4-11.4 Violated in 0 structures by 0.00 A. Peak 10565 from cnoeabs.peaks (4.28, 1.44, 25.61 ppm; 5.78 A): 1 out of 1 assignment used, quality = 0.97: HA ASP 36 + HG3 LYS 39 OK 97 97 100 100 4.6-5.8 10560/3.0=94...(8) Violated in 4 structures by 0.00 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 3.9-4.8 8953/3.0=91...(15) QD1 LEU 14 - HB2 LYS 90 far 0 81 0 - 7.1-7.9 QD1 ILE 56 - HB2 LYS 39 far 0 98 0 - 7.3-8.5 QD1 ILE 8 - HB2 LYS 39 far 0 97 0 - 7.5-8.6 QD2 LEU 6 - HB2 LYS 39 far 0 99 0 - 8.2-8.4 QD2 LEU 14 - HB2 LYS 90 far 0 86 0 - 8.3-9.2 QG1 VAL 5 - HB2 LYS 90 far 0 63 0 - 8.4-9.1 QG2 VAL 78 - HB2 LYS 39 far 0 84 0 - 8.9-10.2 HG13 ILE 56 - HB2 LYS 39 far 0 93 0 - 9.6-10.7 QG1 VAL 58 - HB2 LYS 39 far 0 85 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 10567 from cnoeabs.peaks (0.71, 1.87, 32.18 ppm; 4.42 A): 4 out of 24 assignments used, quality = 1.00: QD1 LEU 64 + HB3 LYS 68 OK 79 82 100 96 3.4-4.4 ~12320=38, 10264/3.5=36...(14) QG2 VAL 78 + HB3 LYS 68 OK 78 100 100 78 4.1-4.6 8182/3.0=38, ~9687=28...(7) QD1 ILE 56 + HB3 LYS 68 OK 71 100 100 71 4.4-4.7 10682/9731=36...(6) QD1 LEU 42 + HB3 LYS 39 OK 67 80 85 99 3.6-4.9 8953/3.0=68...(15) QG1 VAL 58 - HB3 LYS 68 far 0 100 0 - 5.9-6.3 QG2 VAL 58 - HB3 LYS 68 far 0 59 0 - 6.1-6.9 QG1 VAL 78 - HB3 LYS 68 far 0 75 0 - 6.5-7.1 QD1 ILE 56 - HB3 LYS 39 far 0 97 0 - 7.0-8.7 QD1 LEU 42 - HB3 LYS 68 far 0 84 0 - 7.3-7.7 QD2 LEU 14 - HB2 LYS 12 far 0 89 0 - 7.3-7.8 QD2 LEU 14 - HB3 LYS 12 far 0 90 0 - 7.3-7.8 QD1 ILE 8 - HB3 LYS 68 far 0 100 0 - 7.4-8.0 HG13 ILE 56 - HB3 LYS 68 far 0 100 0 - 7.5-7.8 QG2 ILE 93 - HB2 LYS 20 far 0 50 0 - 7.5-8.3 QD1 ILE 8 - HB3 LYS 39 far 0 98 0 - 7.6-9.0 QD2 LEU 6 - HB3 LYS 39 far 0 76 0 - 8.2-8.5 QG1 VAL 78 - HB3 LYS 39 far 0 71 0 - 8.3-9.7 QG2 VAL 78 - HB3 LYS 39 far 0 97 0 - 8.5-10.4 QD1 LEU 14 - HB3 LYS 12 far 0 52 0 - 8.6-8.9 QD1 LEU 14 - HB2 LYS 12 far 0 51 0 - 8.8-8.9 HG3 ARG 81 - HB3 LYS 68 far 0 85 0 - 9.1-9.9 HG13 ILE 56 - HB3 LYS 39 far 0 98 0 - 9.3-11.0 QG1 VAL 58 - HB3 LYS 39 far 0 97 0 - 9.8-11.4 QG1 VAL 5 - HB2 LYS 20 far 0 82 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 10568 from cnoeabs.peaks (0.66, 1.44, 25.61 ppm; 5.04 A increased from 4.48 A): 1 out of 3 assignments used, quality = 0.71: QD1 LEU 42 + HG3 LYS 39 OK 71 71 100 99 3.6-5.0 10570/1.8=77...(8) QD2 LEU 6 - HG3 LYS 39 far 0 75 0 - 8.8-9.4 QG2 VAL 54 - HG3 LYS 39 far 0 100 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 10569 from cnoeabs.peaks (0.80, 1.34, 25.61 ppm; 4.09 A increased from 3.63 A): 1 out of 12 assignments used, quality = 0.91: QD2 LEU 70 + HG2 LYS 39 OK 91 100 95 96 2.7-4.4 10822/3.9=43...(17) QD1 LEU 70 - HG2 LYS 39 poor 19 97 20 - 4.0-5.8 QD1 ILE 76 - HG2 LYS 39 far 0 100 0 - 5.0-5.7 QD2 LEU 42 - HG2 LYS 39 far 0 68 0 - 5.7-6.1 QD1 LEU 70 - HG3 LYS 68 far 0 62 0 - 6.8-7.4 QD2 LEU 38 - HG2 LYS 39 far 0 91 0 - 7.1-7.6 QD1 LEU 6 - HG2 LYS 39 far 0 75 0 - 7.4-7.9 QD2 LEU 70 - HG3 LYS 68 far 0 66 0 - 7.7-8.2 QG2 VAL 32 - HG2 LYS 39 far 0 77 0 - 8.0-8.4 QD2 LEU 42 - HG3 LYS 68 far 0 38 0 - 8.6-9.2 QD2 LEU 38 - HG3 LYS 68 far 0 55 0 - 8.9-9.5 QD1 ILE 76 - HG3 LYS 68 far 0 67 0 - 9.2-10.2 Violated in 2 structures by 0.02 A. Peak 10570 from cnoeabs.peaks (0.68, 1.34, 25.61 ppm; 3.83 A increased from 3.23 A): 1 out of 10 assignments used, quality = 0.92: QD1 LEU 42 + HG2 LYS 39 OK 92 99 100 94 3.3-3.7 9605/12072=39...(10) QD1 ILE 56 - HG3 LYS 68 far 0 44 0 - 6.1-6.5 QD1 ILE 56 - HG2 LYS 39 far 0 77 0 - 7.4-8.2 QG2 VAL 58 - HG3 LYS 68 far 0 67 0 - 7.7-8.0 QD1 LEU 42 - HG3 LYS 68 far 0 64 0 - 7.7-8.2 QD1 ILE 8 - HG3 LYS 68 far 0 42 0 - 8.7-9.1 QG2 VAL 54 - HG2 LYS 39 far 0 88 0 - 8.8-9.5 QD2 LEU 6 - HG2 LYS 39 far 0 99 0 - 8.8-9.3 QD1 ILE 8 - HG2 LYS 39 far 0 73 0 - 9.0-9.9 HG13 ILE 56 - HG3 LYS 68 far 0 35 0 - 9.7-10.0 Violated in 0 structures by 0.00 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 3.8-4.8 3.4/12072=88, ~9602=79...(12) HG3 GLN 72 + HG3 LYS 68 OK 56 56 100 99 4.0-4.8 9563/2.9=71...(14) HB3 ASP 36 - HG2 LYS 39 far 0 99 0 - 7.7-9.1 HB2 ASP 36 - HG2 LYS 39 far 0 98 0 - 7.8-9.2 HB2 ASP 61 - HG3 LYS 68 far 0 65 0 - 9.6-10.3 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 3 assignments used, quality = 0.93: HG3 GLU 43 + HG2 LYS 39 OK 88 98 90 100 3.9-6.1 1.8/10573=84...(9) HG3 GLU 69 + HG3 LYS 68 OK 44 44 100 99 2.5-3.8 1.8/10799=74...(11) HB2 TYR 41 - HG2 LYS 39 far 0 100 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 10573 from cnoeabs.peaks (2.19, 1.34, 25.61 ppm; 4.97 A): 1 out of 9 assignments used, quality = 1.00: HG2 GLU 43 + HG2 LYS 39 OK 100 100 100 100 3.4-5.2 10575/1.8=81, ~10604=62...(11) HG2 GLU 35 - HG2 LYS 39 far 5 100 5 - 5.2-6.6 HG3 GLU 35 - HG2 LYS 39 far 5 100 5 - 5.3-7.7 HB2 GLN 72 - HG3 LYS 68 far 0 48 0 - 5.7-6.5 HG3 GLU 35 - HG3 LYS 68 far 0 66 0 - 9.5-11.5 HG2 GLU 75 - HG2 LYS 39 far 0 94 0 - 9.8-12.5 HG3 GLU 75 - HG2 LYS 39 far 0 96 0 - 9.9-12.7 HB2 GLU 63 - HG3 LYS 68 far 0 66 0 - 10.0-10.3 HB3 GLU 75 - HG2 LYS 39 far 0 100 0 - 10.0-11.3 Violated in 3 structures by 0.02 A. Peak 10574 from cnoeabs.peaks (2.31, 1.44, 25.61 ppm; 5.29 A): 1 out of 2 assignments used, quality = 0.85: HG3 GLU 43 + HG3 LYS 39 OK 85 95 90 100 3.2-6.0 1.8/10575=90...(9) HB2 TYR 41 - HG3 LYS 39 far 0 99 0 - 8.7-9.9 Violated in 2 structures by 0.05 A. Peak 10575 from cnoeabs.peaks (2.20, 1.44, 25.61 ppm; 4.85 A): 1 out of 4 assignments used, quality = 0.88: HG2 GLU 43 + HG3 LYS 39 OK 88 99 90 99 3.2-6.2 10573/1.8=75...(11) HG2 GLU 35 - HG3 LYS 39 far 10 100 10 - 4.6-7.8 HG3 GLU 35 - HG3 LYS 39 far 0 100 0 - 5.6-8.2 HB3 GLN 72 - HG3 LYS 39 far 0 65 0 - 9.1-12.6 Violated in 2 structures by 0.12 A. Peak 10576 from cnoeabs.peaks (2.19, 1.80, 32.18 ppm; 4.73 A): 2 out of 6 assignments used, quality = 0.93: HG2 GLU 35 + HB2 LYS 39 OK 90 100 95 95 3.1-5.1 10534/10537=60...(12) HG3 GLU 35 + HB2 LYS 39 OK 23 100 35 65 3.6-6.2 1.8/12061=22...(10) HG2 GLU 43 - HB2 LYS 39 far 0 100 0 - 5.1-6.6 HG3 PRO 86 - HB2 LYS 90 far 0 90 0 - 6.6-8.0 HB2 GLU 95 - HB2 LYS 90 far 0 85 0 - 8.2-10.6 HB3 GLU 95 - HB2 LYS 90 far 0 61 0 - 8.4-10.9 Violated in 0 structures by 0.00 A. Peak 10577 from cnoeabs.peaks (2.51, 1.64, 29.36 ppm; 5.61 A increased from 4.72 A): 4 out of 14 assignments used, quality = 0.99: HG2 MET 74 + HD3 LYS 39 OK 97 97 100 100 4.1-5.8 ~9602=55, ~12073=53...(14) HG2 MET 74 + HD2 LYS 39 OK 40 89 45 100 4.2-7.1 ~9602=55, ~12073=53...(15) HG3 GLN 72 + HD3 LYS 68 OK 40 74 55 98 4.7-6.6 9563/3.5=54, 9565/3.0=34...(17) HG3 GLU 95 + HD2 LYS 94 OK 26 84 35 89 4.6-8.4 10035/6.3=40...(8) HG3 GLN 72 - HD2 LYS 68 poor 18 73 25 - 4.6-7.0 HB2 ASP 36 - HD2 LYS 39 far 5 93 5 - 5.6-8.7 HB3 ASP 36 - HD2 LYS 39 far 0 93 0 - 6.0-8.8 HD2 ARG 91 - HD2 LYS 94 far 0 67 0 - 6.8-10.2 HB2 ASP 36 - HD3 LYS 39 far 0 99 0 - 7.2-9.2 HB2 ASP 61 - HD2 LYS 68 far 0 90 0 - 7.4-10.0 HB3 ASP 36 - HD3 LYS 39 far 0 100 0 - 7.8-9.7 HB2 ASP 61 - HD3 LYS 68 far 0 91 0 - 7.9-10.5 HB3 ASP 87 - HD2 LYS 94 far 0 81 0 - 8.3-13.6 HB2 ASP 87 - HD2 LYS 94 far 0 81 0 - 9.6-13.5 Violated in 0 structures by 0.00 A. Peak 10578 from cnoeabs.peaks (2.19, 1.64, 29.36 ppm; 5.50 A increased from 4.40 A): 4 out of 16 assignments used, quality = 0.99: HG2 GLU 43 + HD3 LYS 39 OK 95 100 95 100 4.9-5.8 10573/3.0=78...(8) HG2 GLU 35 + HD2 LYS 39 OK 74 91 90 90 3.7-7.0 10576/3.6=60...(9) HG2 GLU 43 + HD2 LYS 39 OK 47 94 50 100 5.3-6.5 10573/3.0=78...(8) HG3 GLU 35 + HD2 LYS 39 OK 20 91 40 56 4.4-7.3 ~10528=18, 10576/3.6=15...(8) HB3 GLU 95 - HD2 LYS 94 far 10 67 15 - 5.6-8.3 HG2 GLU 35 - HD3 LYS 39 far 5 99 5 - 5.4-7.7 HB2 GLU 95 - HD2 LYS 94 far 4 78 5 - 5.7-8.2 HG2 GLU 98 - HD2 LYS 94 far 3 62 5 - 5.0-9.5 HG3 GLU 35 - HD3 LYS 39 far 0 99 0 - 6.1-8.3 HB2 GLN 72 - HD3 LYS 68 far 0 77 0 - 6.6-9.0 HB2 GLN 72 - HD2 LYS 68 far 0 76 0 - 6.8-9.3 HB2 GLU 63 - HD3 LYS 68 far 0 87 0 - 8.9-11.3 HB2 GLU 63 - HD2 LYS 68 far 0 86 0 - 9.0-11.6 HG2 GLU 99 - HD2 LYS 94 far 0 52 0 - 9.4-12.2 HG2 GLU 75 - HD3 LYS 39 far 0 98 0 - 9.8-13.2 HG3 GLU 75 - HD3 LYS 39 far 0 99 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 10579 from cnoeabs.peaks (2.01, 1.16, 24.65 ppm; 6.08 A increased from 5.72 A): 1 out of 6 assignments used, quality = 0.79: HB2 GLU 44 + HG2 LYS 40 OK 79 99 95 84 5.4-6.4 1881/10585=77, 8988/8865=30 HB3 GLU 44 - HG2 LYS 40 lone 13 99 100 13 5.3-6.1 8903/8865=11 QE MET 74 - HG2 LYS 40 far 5 99 5 - 6.3-7.1 HB2 GLU 37 - HG2 LYS 40 far 0 71 0 - 6.6-7.9 HB2 GLU 62 - HG3 LYS 82 far 0 49 0 - 9.7-10.7 HB2 ARG 46 - HG2 LYS 40 far 0 65 0 - 9.7-11.4 Violated in 11 structures by 0.11 A. Peak 10580 from cnoeabs.peaks (2.34, 1.16, 24.65 ppm; 5.89 A): 2 out of 4 assignments used, quality = 0.63: HG3 GLU 43 + HG2 LYS 40 OK 45 92 85 58 4.0-7.3 1956/3.8=27, 1990/4.9=19...(5) HB2 TYR 41 + HG2 LYS 40 OK 32 81 40 100 5.2-6.7 3.0/10585=82...(12) HD3 ARG 81 - HG3 LYS 82 far 0 28 0 - 6.9-9.1 HG3 GLU 44 - HG2 LYS 40 far 0 99 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 10581 from cnoeabs.peaks (4.80, 1.46, 28.90 ppm; 4.65 A increased from 4.13 A): 1 out of 6 assignments used, quality = 0.99: HA ASN 60 + HD2 LYS 82 OK 99 99 100 100 4.3-4.4 10938/1.8=94...(10) HA TRP 92 - HB2 ARG 91 far 0 29 0 - 5.6-5.7 HA VAL 83 - HD2 LYS 82 far 0 100 0 - 6.7-7.2 HA THR 34 - HD2 LYS 40 far 0 89 0 - 9.3-11.4 HA VAL 83 - HB2 ARG 91 far 0 33 0 - 9.7-10.4 HA THR 34 - HD3 LYS 40 far 0 89 0 - 9.7-11.9 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 3.8-4.4 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; 5.09 A increased from 4.79 A): 1 out of 1 assignment used, quality = 1.00: H PHE 45 + HA TYR 41 OK 100 100 100 100 4.4-4.8 6725/1881=87...(6) Violated in 0 structures by 0.00 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 3.2-4.5 1.8/10586=81...(18) HB2 LEU 6 - HA TYR 41 far 0 92 0 - 8.1-8.5 QG2 THR 31 - HA TYR 41 far 0 93 0 - 9.7-10.0 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 3 assignments used, quality = 1.00: HG3 LYS 40 + HA TYR 41 OK 100 100 100 100 3.1-3.4 1.8/10585=81...(19) HB3 ARG 30 - HA TYR 41 far 0 97 0 - 5.7-6.3 HG2 LYS 39 - HA TYR 41 far 0 98 0 - 7.8-8.9 Violated in 0 structures by 0.00 A. Peak 10588 from cnoeabs.peaks (1.67, 3.93, 59.76 ppm; 5.34 A increased from 4.74 A): 2 out of 7 assignments used, quality = 1.00: HB3 LYS 40 + HA TYR 41 OK 96 96 100 100 5.2-5.6 1805/3.0=82, ~6646=76...(19) HB2 LYS 40 + HA TYR 41 OK 90 90 100 100 4.5-5.3 6647/3.0=94...(15) HB3 LEU 6 - HA TYR 41 far 0 92 0 - 7.7-8.1 HD2 LYS 47 - HA TYR 41 far 0 98 0 - 8.0-10.5 HD3 LYS 47 - HA TYR 41 far 0 98 0 - 8.1-9.5 HD2 LYS 39 - HA TYR 41 far 0 97 0 - 9.2-10.3 HD3 LYS 39 - HA TYR 41 far 0 82 0 - 9.8-10.6 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 3.9-4.3 3452/10878=64...(19) QD1 LEU 38 + HA LEU 42 OK 94 96 100 97 4.5-5.0 8912/3.0=70...(6) QG1 VAL 32 - HA LEU 42 far 0 73 0 - 8.2-8.4 QD1 LEU 2 - HA LEU 42 far 0 100 0 - 8.7-10.0 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 6 assignments used, quality = 1.00: HG3 MET 74 + QD1 LEU 42 OK 99 99 100 100 2.5-5.3 1.8/9615=96, 3.4/9605=88...(19) HB3 TYR 41 + QD1 LEU 42 OK 99 100 100 99 4.8-5.1 6669/6676=87...(9) HB VAL 58 - QD1 LEU 14 far 0 63 0 - 7.4-8.0 HB3 ASP 77 - QD1 LEU 42 far 0 100 0 - 8.8-9.3 HB3 ASP 65 - QD1 LEU 42 far 0 99 0 - 9.8-10.4 HD3 ARG 91 - QD1 LEU 14 far 0 71 0 - 9.9-11.2 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 = 0.91: HB3 TYR 41 + QD2 LEU 42 OK 88 92 100 96 4.4-4.7 4.1/1943=70...(9) HG3 MET 74 + QD2 LEU 42 OK 25 100 25 100 4.3-6.6 ~9615=69, ~9605=57...(15) HB3 ASP 77 - QD2 LEU 42 far 0 95 0 - 6.9-7.5 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 2 assignments used, quality = 0.97: HB3 TYR 41 + HG LEU 42 OK 96 96 100 100 3.6-3.9 4.1/6675=99...(11) HG3 MET 74 + HG LEU 42 OK 25 100 25 100 5.3-8.3 3.4/10340=96, ~9615=91...(14) Violated in 0 structures by 0.00 A. Peak 10597 from cnoeabs.peaks (3.87, 0.69, 25.64 ppm; 4.05 A): 1 out of 11 assignments used, quality = 0.91: HA ALA 71 + QD1 LEU 42 OK 91 91 100 100 1.9-2.5 2.1/12014=81...(24) HA ALA 67 - QD1 LEU 42 poor 14 98 25 57 4.1-4.7 3132/9543=33...(5) HA LEU 38 - QD1 LEU 42 far 10 100 10 - 4.3-4.6 HB2 SER 85 - QD1 LEU 14 far 0 60 0 - 4.5-4.7 HA ALA 89 - QD1 LEU 14 far 0 63 0 - 5.0-5.6 HA GLU 43 - QD1 LEU 42 far 0 96 0 - 5.7-5.8 HA LYS 40 - QD1 LEU 42 far 0 100 0 - 5.8-6.1 HA GLU 35 - QD1 LEU 42 far 0 92 0 - 6.1-6.6 HA LYS 12 - QD1 LEU 14 far 0 93 0 - 7.2-7.4 HB3 SER 49 - QD1 LEU 42 far 0 99 0 - 8.5-9.9 HA ARG 91 - QD1 LEU 14 far 0 84 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 10598 from cnoeabs.peaks (3.88, 1.90, 26.36 ppm; 5.67 A): 2 out of 6 assignments used, quality = 1.00: HA LEU 38 + HG LEU 42 OK 100 100 100 100 4.2-4.5 3.8/12068=87...(13) HA ALA 71 + HG LEU 42 OK 77 77 100 100 4.6-5.3 ~12014=86, 10597/2.1=84...(15) HA ALA 67 - HG LEU 42 far 0 90 0 - 6.2-6.9 HA LYS 40 - HG LEU 42 far 0 99 0 - 6.4-6.8 HA GLU 43 - HG LEU 42 far 0 100 0 - 6.5-6.6 HA GLU 35 - HG LEU 42 far 0 99 0 - 7.9-8.5 Violated in 0 structures by 0.00 A. Peak 10599 from cnoeabs.peaks (1.05, 0.77, 21.93 ppm; 4.28 A increased from 4.03 A): 1 out of 3 assignments used, quality = 0.67: HG12 ILE 76 + QD2 LEU 42 OK 67 68 100 99 3.9-4.1 1.8/12083=69, ~10286=39...(19) HG12 ILE 52 - QD2 LEU 42 far 0 98 0 - 5.6-6.6 HB3 LEU 55 - QD2 LEU 42 far 0 84 0 - 8.0-8.6 Violated in 0 structures by 0.00 A. Peak 10600 from cnoeabs.peaks (6.67, 0.77, 21.93 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.88: QD PHE 45 + QD2 LEU 42 OK 88 98 100 90 2.0-2.7 8928/1944=49...(14) 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 5.0-5.3 3.0/6719=89, 3.7/8928=81...(9) HA ASP 77 - HA LEU 42 far 0 93 0 - 9.6-10.1 Violated in 0 structures by 0.00 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 3.6-4.3 4.6/6719=63, 4.8/8928=62...(11) H LYS 39 - HA LEU 42 far 0 88 0 - 7.2-7.4 H GLU 75 - HA LEU 42 far 0 96 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 10603 from cnoeabs.peaks (1.66, 2.32, 36.31 ppm; 5.12 A increased from 4.55 A): 8 out of 39 assignments used, quality = 0.98: HB3 LYS 40 + HG3 GLU 43 OK 62 93 80 83 4.1-6.7 10610/6696=41...(12) HD2 LYS 20 + HG2 GLU 16 OK 45 58 85 92 4.6-5.7 12058/3.0=81...(8) HB2 LYS 40 + HG3 GLU 43 OK 43 94 65 71 4.8-7.3 3.0/1956=31...(11) HD3 LYS 39 + HG3 GLU 43 OK 35 88 40 100 5.1-6.1 3.0/10604=71, ~10575=53...(9) HD2 LYS 20 + HG3 GLU 16 OK 35 45 85 92 4.8-6.0 12058/3.0=81...(8) HG2 LYS 68 + HG3 GLU 69 OK 34 35 100 98 3.5-5.0 7128/7136=67...(6) HD2 LYS 68 + HG3 GLU 69 OK 26 41 75 84 4.1-6.5 ~10799=48, 3.0/10605=28...(10) HG3 LYS 20 + HG2 GLU 16 OK 25 60 50 83 5.1-8.4 ~12058=50, ~12146=25...(5) HD2 LYS 39 - HG3 GLU 43 poor 20 99 20 - 4.9-7.2 HD3 LYS 12 - HG2 GLU 16 poor 17 34 50 - 3.2-7.6 HD2 LYS 12 - HG2 GLU 16 poor 17 34 50 - 3.5-7.2 HD3 LYS 68 - HG3 GLU 69 poor 17 40 50 84 3.9-6.4 ~10799=48, 3.0/10605=28...(10) HD2 LYS 12 - HG3 GLU 16 poor 13 25 50 - 3.6-7.1 HD3 LYS 12 - HG3 GLU 16 poor 13 25 50 - 3.6-6.9 HD3 LYS 20 - HG2 GLU 16 poor 12 60 20 - 4.9-7.2 HD2 LYS 13 - HG3 GLU 16 poor 8 25 30 - 4.3-8.0 HD3 LYS 13 - HG3 GLU 16 poor 7 23 30 - 4.5-7.8 HD3 LYS 20 - HG3 GLU 16 far 7 46 15 - 5.0-7.1 HD2 LYS 73 - HG3 GLU 69 far 2 44 5 - 5.3-10.0 HD3 LYS 66 - HG3 GLU 69 far 1 22 5 - 5.4-6.0 HG3 LYS 20 - HG3 GLU 16 far 0 46 0 - 5.6-8.7 HD3 LYS 73 - HG3 GLU 69 far 0 44 0 - 5.7-10.0 HD3 LYS 13 - HG2 GLU 16 far 0 31 0 - 5.8-9.4 HD2 LYS 13 - HG2 GLU 16 far 0 34 0 - 5.9-9.5 HG12 ILE 15 - HG2 GLU 16 far 0 42 0 - 5.9-7.6 HG LEU 70 - HG3 GLU 69 far 0 25 0 - 6.1-6.5 HD3 LYS 47 - HG3 GLU 43 far 0 95 0 - 6.8-9.7 HG12 ILE 15 - HG3 GLU 16 far 0 32 0 - 7.0-8.0 HD2 LYS 47 - HG3 GLU 43 far 0 96 0 - 7.4-10.1 HD2 LYS 73 - HG3 GLU 43 far 0 100 0 - 8.2-14.1 HD3 LYS 66 - HG2 GLU 63 far 0 21 0 - 8.3-10.5 HG2 PRO 86 - HG3 GLU 16 far 0 33 0 - 8.7-10.3 HB ILE 76 - HG3 GLU 43 far 0 92 0 - 9.0-10.8 HG2 PRO 86 - HG2 GLU 16 far 0 44 0 - 9.4-11.2 HD3 LYS 73 - HG3 GLU 43 far 0 100 0 - 9.5-14.0 HD3 LYS 90 - HG3 GLU 16 far 0 29 0 - 9.6-12.1 HB3 LEU 6 - HG2 GLU 63 far 0 37 0 - 9.8-11.1 HD3 LYS 90 - HG2 GLU 16 far 0 39 0 - 9.8-12.3 HG2 LYS 68 - HG2 GLU 63 far 0 33 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 10604 from cnoeabs.peaks (1.47, 2.32, 36.31 ppm; 4.56 A): 1 out of 31 assignments used, quality = 0.74: HG3 LYS 39 + HG3 GLU 43 OK 74 84 90 98 3.2-6.0 10575/1.8=56, ~10573=52...(9) HG2 LYS 12 - HG3 GLU 16 poor 17 38 45 - 4.4-6.3 HG2 LYS 12 - HG2 GLU 16 poor 6 50 45 28 3.8-6.6 8473/6239=15, 10394/10606=14 HG2 LYS 13 - HG3 GLU 16 far 2 24 10 - 4.6-7.3 HG3 LYS 13 - HG3 GLU 16 far 0 31 0 - 5.0-6.1 HG2 LYS 73 - HG3 GLU 69 far 0 32 0 - 5.2-7.4 HG3 LYS 66 - HG2 GLU 63 far 0 30 0 - 5.7-8.1 HG2 LYS 66 - HG2 GLU 63 far 0 32 0 - 5.9-8.4 HD2 LYS 40 - HG3 GLU 43 far 0 100 0 - 6.0-8.9 HG2 LYS 20 - HG2 GLU 16 far 0 60 0 - 6.0-7.4 HG2 LYS 13 - HG2 GLU 16 far 0 33 0 - 6.2-8.7 HG3 LYS 13 - HG2 GLU 16 far 0 41 0 - 6.3-7.7 HD3 LYS 40 - HG3 GLU 43 far 0 100 0 - 6.6-9.6 HG2 LYS 20 - HG3 GLU 16 far 0 46 0 - 6.6-7.5 HG2 LYS 66 - HG3 GLU 69 far 0 33 0 - 6.6-7.6 HB3 LEU 64 - HG2 GLU 63 far 0 33 0 - 6.8-7.1 HG LEU 64 - HG3 GLU 69 far 0 40 0 - 6.9-8.3 HG2 LYS 47 - HG3 GLU 43 far 0 87 0 - 7.0-8.9 HG13 ILE 76 - HG3 GLU 43 far 0 75 0 - 7.3-9.5 HG3 LYS 66 - HG3 GLU 69 far 0 31 0 - 7.7-8.6 HD2 LYS 82 - HG2 GLU 63 far 0 41 0 - 7.7-8.9 HG LEU 38 - HG2 GLU 63 far 0 41 0 - 7.8-8.5 HB2 LEU 38 - HG3 GLU 43 far 0 98 0 - 8.2-9.8 HB2 LEU 38 - HG2 GLU 63 far 0 40 0 - 8.3-9.9 QB ALA 22 - HG2 GLU 16 far 0 39 0 - 8.6-9.3 HG LEU 64 - HG2 GLU 63 far 0 39 0 - 8.8-9.2 HG3 LYS 33 - HG2 GLU 63 far 0 21 0 - 9.2-10.9 HB3 LEU 64 - HG3 GLU 69 far 0 34 0 - 9.3-10.7 QB ALA 22 - HG3 GLU 16 far 0 29 0 - 9.8-10.3 HG LEU 38 - HG3 GLU 69 far 0 43 0 - 9.9-11.1 HG2 LYS 73 - HG3 GLU 43 far 0 85 0 - 10.0-12.6 Violated in 2 structures by 0.13 A. Peak 10605 from cnoeabs.peaks (1.33, 2.32, 36.31 ppm; 4.65 A): 2 out of 14 assignments used, quality = 0.78: HG2 LYS 39 + HG3 GLU 43 OK 64 99 65 100 3.9-6.1 1.8/10604=75...(9) HG3 LYS 68 + HG3 GLU 69 OK 38 40 100 94 2.5-3.8 7127/7136=56...(10) HG3 LYS 40 - HG3 GLU 43 poor 17 87 20 - 4.7-8.0 HB3 LEU 42 - HG3 GLU 43 far 7 73 10 - 4.7-6.3 QB ALA 67 - HG2 GLU 63 far 0 42 0 - 5.9-6.2 HG12 ILE 8 - HG2 GLU 63 far 0 29 0 - 6.0-7.7 QB ALA 67 - HG3 GLU 69 far 0 44 0 - 6.5-7.5 HB2 LEU 70 - HG3 GLU 69 far 0 25 0 - 6.9-7.3 HG LEU 14 - HG3 GLU 16 far 0 43 0 - 7.9-9.3 HG LEU 14 - HG2 GLU 16 far 0 57 0 - 8.0-9.4 QB ALA 89 - HG2 GLU 16 far 0 62 0 - 8.5-9.3 QB ALA 89 - HG3 GLU 16 far 0 48 0 - 8.6-9.6 HB2 LYS 82 - HG2 GLU 63 far 0 41 0 - 8.9-9.3 HB2 LEU 70 - HG3 GLU 43 far 0 70 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 10606 from cnoeabs.peaks (0.81, 2.32, 36.31 ppm; 4.23 A): 2 out of 25 assignments used, quality = 0.67: QG2 ILE 15 + HG2 GLU 16 OK 51 62 95 86 3.1-4.6 660/6239=56, 8530/689=53...(5) QG2 ILE 8 + HG2 GLU 63 OK 33 35 100 95 2.3-3.8 10746/3.0=55...(10) QG2 ILE 15 - HG3 GLU 16 poor 10 48 20 - 4.5-5.3 QD1 ILE 76 - HG3 GLU 43 far 0 100 0 - 5.0-6.5 QD1 LEU 70 - HG3 GLU 69 far 0 42 0 - 6.5-7.1 QG2 ILE 7 - HG2 GLU 16 far 0 61 0 - 6.5-7.4 QD2 LEU 38 - HG2 GLU 63 far 0 37 0 - 6.7-7.6 QD2 LEU 70 - HG3 GLU 69 far 0 44 0 - 6.7-7.2 QD2 LEU 70 - HG3 GLU 43 far 0 100 0 - 6.8-8.0 QD1 LEU 6 - HG3 GLU 43 far 0 65 0 - 7.1-8.6 QD1 LEU 70 - HG2 GLU 63 far 0 41 0 - 7.4-8.4 QG2 ILE 7 - HG3 GLU 16 far 0 47 0 - 7.7-8.3 QG2 VAL 32 - HG2 GLU 63 far 0 31 0 - 7.7-8.8 QD1 LEU 70 - HG3 GLU 43 far 0 99 0 - 7.9-9.0 QG2 VAL 32 - HG3 GLU 43 far 0 85 0 - 8.1-9.9 QD2 LEU 38 - HG3 GLU 43 far 0 96 0 - 8.2-9.6 QG2 ILE 7 - HG2 GLU 63 far 0 41 0 - 8.4-10.1 QD1 ILE 93 - HG2 GLU 16 far 0 33 0 - 8.6-9.3 QD1 LEU 57 - HG2 GLU 63 far 0 34 0 - 9.2-10.5 QD1 ILE 93 - HG3 GLU 16 far 0 24 0 - 9.3-10.1 QD2 LEU 57 - HG2 GLU 63 far 0 40 0 - 9.3-10.4 QG2 ILE 52 - HG3 GLU 43 far 0 81 0 - 9.4-10.7 QD2 LEU 70 - HG2 GLU 63 far 0 42 0 - 9.7-10.8 QD1 LEU 6 - HG2 GLU 63 far 0 22 0 - 9.7-10.5 QD1 ILE 76 - HG3 GLU 69 far 0 43 0 - 9.8-10.6 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 23 assignments used, quality = 0.69: QG1 VAL 58 + HG2 GLU 63 OK 38 38 100 100 3.8-4.5 10225/3.0=71...(19) QD1 ILE 8 + HG2 GLU 63 OK 36 42 95 90 3.8-4.9 8308/3.0=49, ~10746=29...(9) QG2 VAL 58 + HG2 GLU 63 OK 22 27 80 100 4.4-5.0 9380/3.0=47, ~10225=44...(19) QD1 LEU 42 - HG3 GLU 43 far 0 95 0 - 5.3-6.4 QD2 LEU 14 - HG2 GLU 16 far 0 62 0 - 6.9-8.1 QD2 LEU 14 - HG3 GLU 16 far 0 48 0 - 7.2-8.2 QG2 VAL 78 - HG3 GLU 69 far 0 39 0 - 7.3-8.2 QD1 LEU 64 - HG3 GLU 69 far 0 23 0 - 7.4-8.6 QD1 LEU 64 - HG2 GLU 63 far 0 22 0 - 7.5-7.9 QD2 LEU 14 - HG2 GLU 63 far 0 42 0 - 7.5-9.5 QD1 ILE 56 - HG3 GLU 69 far 0 44 0 - 7.6-8.6 QD2 LEU 6 - HG3 GLU 43 far 0 93 0 - 8.0-9.8 QD1 LEU 14 - HG3 GLU 16 far 0 33 0 - 8.1-9.3 QD1 LEU 42 - HG3 GLU 69 far 0 38 0 - 8.3-8.9 QD1 LEU 14 - HG2 GLU 16 far 0 44 0 - 8.4-9.5 QD1 LEU 14 - HG2 GLU 63 far 0 29 0 - 8.6-10.3 QD1 ILE 56 - HG2 GLU 63 far 0 42 0 - 8.7-9.1 QG1 VAL 58 - HG3 GLU 69 far 0 39 0 - 8.8-9.9 QD1 ILE 52 - HG3 GLU 43 far 0 99 0 - 9.0-10.0 QD1 ILE 56 - HG3 GLU 43 far 0 100 0 - 9.2-10.4 QG2 VAL 58 - HG3 GLU 69 far 0 28 0 - 9.2-10.4 QD1 ILE 8 - HG3 GLU 69 far 0 44 0 - 9.7-10.6 QD2 LEU 6 - HG2 GLU 63 far 0 35 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 10608 from cnoeabs.peaks (0.80, 2.06, 29.24 ppm; 3.95 A): 1 out of 33 assignments used, quality = 0.77: QD1 LEU 70 + HB3 GLU 35 OK 77 79 100 97 3.1-4.0 10609/3.0=66...(10) QD2 LEU 70 - HB3 GLU 35 far 8 84 10 - 4.2-5.4 QD2 LEU 103 - HB2 GLU 99 far 3 58 5 - 4.0-10.7 QD2 LEU 103 - HB3 GLU 99 far 2 46 5 - 3.4-11.4 QG2 ILE 15 - HB2 GLU 16 far 0 95 0 - 4.9-5.7 QD1 LEU 27 - HB2 GLU 99 far 0 47 0 - 6.0-8.6 QD1 ILE 76 - HB3 GLU 43 far 0 100 0 - 6.0-6.4 QD2 LEU 38 - HB3 GLU 35 far 0 72 0 - 6.2-6.8 QD2 LEU 103 - HB3 GLU 98 far 0 61 0 - 6.3-14.5 QD2 LEU 103 - HB2 GLU 98 far 0 63 0 - 6.3-14.5 QD1 LEU 27 - HB2 GLU 98 far 0 51 0 - 6.5-7.0 QG2 ILE 8 - HB3 GLU 35 far 0 78 0 - 6.5-7.5 QD2 LEU 42 - HB3 GLU 43 far 0 68 0 - 6.7-7.0 QD1 LEU 27 - HB3 GLU 99 far 0 37 0 - 7.1-8.7 QG2 VAL 32 - HB3 GLU 35 far 0 59 0 - 7.3-7.8 QG2 ILE 7 - HB2 GLU 16 far 0 96 0 - 7.4-8.0 QD1 LEU 27 - HB3 GLU 98 far 0 49 0 - 7.5-7.8 QD1 LEU 6 - HB3 GLU 43 far 0 75 0 - 7.5-7.9 QD1 ILE 93 - HB2 GLU 16 far 0 67 0 - 7.9-8.4 QD1 ILE 93 - HB2 GLU 23 far 0 49 0 - 8.0-9.1 QD1 LEU 27 - HB2 GLU 23 far 0 47 0 - 8.3-8.7 QG2 VAL 32 - HB3 GLU 43 far 0 77 0 - 8.6-9.2 QD2 LEU 70 - HB3 GLU 43 far 0 100 0 - 8.7-9.8 QD2 LEU 57 - HB2 GLU 99 far 0 75 0 - 8.8-11.5 QD2 LEU 38 - HB3 GLU 43 far 0 91 0 - 8.8-9.5 QD1 LEU 6 - HB3 GLU 35 far 0 57 0 - 8.9-9.6 QG2 ILE 52 - HB3 GLU 43 far 0 88 0 - 9.1-9.4 QD1 LEU 70 - HB3 GLU 43 far 0 97 0 - 9.1-10.3 QD2 LEU 57 - HB3 GLU 99 far 0 60 0 - 9.5-11.5 QD2 LEU 42 - HB3 GLU 35 far 0 51 0 - 9.6-10.4 QD1 ILE 93 - HB2 GLU 98 far 0 52 0 - 9.6-10.6 QD1 LEU 57 - HB2 GLU 99 far 0 57 0 - 9.8-12.6 QG2 ILE 15 - HB2 GLU 23 far 0 74 0 - 9.9-10.6 Violated in 1 structures by 0.00 A. Peak 10609 from cnoeabs.peaks (0.81, 3.88, 59.12 ppm; 3.50 A): 1 out of 26 assignments used, quality = 0.89: QD1 LEU 70 + HA GLU 35 OK 89 96 100 92 2.9-3.6 10420/3.0=46...(12) QD1 ILE 76 - HA GLU 43 far 5 100 5 - 3.7-4.3 QD2 LEU 70 - HA GLU 35 far 0 98 0 - 4.3-5.4 QD2 LEU 38 - HA GLU 35 far 0 92 0 - 4.4-4.9 QG2 VAL 32 - HA GLU 35 far 0 81 0 - 5.4-5.7 QD1 ILE 93 - HA ARG 91 far 0 62 0 - 5.6-6.5 QG2 ILE 8 - HA GLU 35 far 0 88 0 - 5.6-6.6 QD2 LEU 70 - HA LYS 40 far 0 82 0 - 6.8-7.7 QD1 ILE 76 - HA LYS 40 far 0 81 0 - 7.0-7.3 QD1 LEU 6 - HA LYS 40 far 0 47 0 - 7.0-7.2 QD1 LEU 6 - HA GLU 35 far 0 61 0 - 7.0-7.6 QG2 VAL 32 - HA LYS 40 far 0 63 0 - 7.1-7.3 QD1 LEU 57 - HA ARG 91 far 0 89 0 - 7.2-7.6 QD1 LEU 70 - HA LYS 40 far 0 79 0 - 7.3-8.2 QG2 ILE 52 - HA GLU 43 far 0 81 0 - 7.4-7.9 QD2 LEU 38 - HA LYS 40 far 0 74 0 - 7.5-7.8 QD1 LEU 6 - HA GLU 43 far 0 65 0 - 7.7-7.9 QD2 LEU 70 - HA GLU 43 far 0 100 0 - 8.3-9.2 QD2 LEU 57 - HA ARG 91 far 0 97 0 - 8.4-8.9 QD1 LEU 27 - HA ARG 91 far 0 60 0 - 8.4-9.1 QD1 LEU 70 - HA GLU 43 far 0 99 0 - 8.9-9.8 QD2 LEU 103 - HA ARG 91 far 0 90 0 - 9.0-19.7 QD2 LEU 38 - HA GLU 43 far 0 96 0 - 9.4-9.7 QD1 ILE 76 - HA GLU 35 far 0 97 0 - 9.4-10.2 QG2 VAL 32 - HA GLU 43 far 0 85 0 - 9.7-9.9 QG2 ILE 7 - HA GLU 35 far 0 97 0 - 10.0-10.7 Violated in 2 structures by 0.00 A. Peak 10611 from cnoeabs.peaks (1.34, 4.08, 58.43 ppm; 5.07 A increased from 4.77 A): 3 out of 12 assignments used, quality = 1.00: QB ALA 67 + HA LYS 66 OK 100 100 100 100 5.0-5.0 9505/3.0=81...(11) HB2 LEU 70 + HA LYS 66 OK 68 77 90 97 4.7-5.4 3.9/7139=62...(11) QB ALA 25 + HA LYS 24 OK 68 68 100 100 4.9-5.0 4.8=100 HG3 LYS 68 - HA LYS 66 far 15 99 15 - 5.3-5.7 HB3 LEU 42 - HA ARG 46 far 0 50 0 - 5.5-5.9 QB ALA 89 - HA GLU 17 far 0 59 0 - 5.6-6.3 HG LEU 14 - HA GLU 17 far 0 56 0 - 6.8-7.5 HG2 LYS 39 - HA LYS 66 far 0 100 0 - 9.1-11.3 QB ALA 25 - HA GLU 17 far 0 59 0 - 9.4-10.0 HB3 LEU 2 - HA ARG 46 far 0 86 0 - 9.4-10.2 HB3 LEU 27 - HA LYS 24 far 0 67 0 - 9.4-9.8 HG2 LYS 39 - HA ARG 46 far 0 86 0 - 9.5-10.7 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 3.8-3.9 7067/3.0=94, 9495/3.7=78...(12) HB3 ASP 77 - HA ARG 46 far 0 99 0 - 7.0-8.1 HG3 MET 74 - HA ARG 46 far 0 90 0 - 7.6-8.8 HG3 MET 74 - HA LYS 66 far 0 72 0 - 9.4-11.7 HB3 TYR 41 - HA ARG 46 far 0 100 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 10613 from cnoeabs.peaks (2.97, 1.96, 29.74 ppm; 5.66 A increased from 5.33 A): 4 out of 8 assignments used, quality = 0.97: HB2 PHE 45 + HB3 ARG 46 OK 80 96 95 88 4.5-6.0 6743/4.0=67, 6776/4.7=19...(9) HB2 PHE 45 + HB2 ARG 46 OK 67 84 90 89 4.3-6.0 6743/4.0=67...(8) HB3 PHE 45 + HB2 ARG 46 OK 41 92 60 74 5.6-6.9 4.5/2077=41, 1057/3.0=20...(8) HB3 PHE 45 + HB3 ARG 46 OK 20 100 25 81 5.6-6.9 4.5/6750=54, 1057/3.0=20...(8) HE3 LYS 47 - HB3 ARG 46 far 10 100 10 - 4.6-8.3 HE2 LYS 47 - HB2 ARG 46 far 9 91 10 - 5.6-9.7 HE3 LYS 47 - HB2 ARG 46 far 5 91 5 - 4.1-9.5 HE2 LYS 47 - HB3 ARG 46 far 0 100 0 - 6.1-8.5 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 2.3-4.2 12089=98, 12088/1.8=94...(17) HA GLU 63 - HG2 LYS 68 far 0 55 0 - 7.3-7.7 HA TYR 41 - HG3 LYS 47 far 0 100 0 - 8.2-10.0 HB3 SER 9 - HG3 LYS 12 far 0 62 0 - 8.6-10.8 Violated in 0 structures by 0.00 A. Peak 10616 from cnoeabs.peaks (3.92, 1.49, 25.00 ppm; 5.10 A): 4 out of 14 assignments used, quality = 0.98: HA GLU 44 + HG2 LYS 47 OK 93 93 100 100 2.2-3.0 12088=100, 12089/1.8=94...(19) HA3 GLY 101 + HG3 LYS 53 OK 48 58 95 88 3.5-7.1 10101/3.0=25...(16) HA3 GLY 101 + HG2 LYS 53 OK 36 47 90 85 4.4-8.6 10101/3.0=25...(15) HA GLU 43 + HG2 LYS 47 OK 29 68 80 53 4.8-6.7 3.6/2167=27...(3) HB2 SER 97 - HG3 LYS 24 far 0 59 0 - 7.4-10.3 HB3 SER 9 - HG3 LYS 33 far 0 86 0 - 7.7-8.6 HA TYR 41 - HG2 LYS 47 far 0 99 0 - 7.9-9.0 HB2 SER 102 - HG2 LYS 53 far 0 48 0 - 8.1-10.8 HB2 SER 102 - HG3 LYS 53 far 0 59 0 - 8.2-10.5 HB3 SER 9 - HG3 LYS 13 far 0 98 0 - 8.8-11.1 HA GLU 35 - HG3 LYS 33 far 0 60 0 - 9.2-9.3 HA ARG 91 - HG3 LYS 24 far 0 62 0 - 9.3-12.8 HB2 SER 97 - HG3 LYS 53 far 0 48 0 - 9.4-10.5 HA GLU 35 - HG2 LYS 73 far 0 75 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 10617 from cnoeabs.peaks (2.92, 2.30, 29.70 ppm; 6.50 A increased from 5.84 A): 1 out of 1 assignment used, quality = 0.75: HB2 ASN 51 + HB2 GLU 48 OK 75 84 90 100 6.2-6.8 1.8/9114=97, 4.6/9030=52...(9) Violated in 19 structures by 0.21 A. Peak 10619 from cnoeabs.peaks (3.86, 4.43, 55.95 ppm; 5.11 A): 1 out of 2 assignments used, quality = 1.00: HB3 SER 49 + HA GLU 48 OK 100 100 100 100 4.6-5.4 6805/6798=85...(14) HA GLU 43 - HA GLU 48 far 0 85 0 - 9.9-10.4 Violated in 2 structures by 0.01 A. Peak 10620 from cnoeabs.peaks (4.53, 2.30, 29.70 ppm; 5.87 A increased from 5.22 A): 1 out of 1 assignment used, quality = 0.99: HA PHE 45 + HB2 GLU 48 OK 99 100 100 99 4.5-5.9 10190/2230=83...(7) Violated in 3 structures by 0.00 A. Peak 10623 from cnoeabs.peaks (7.04, 2.43, 35.74 ppm; 6.14 A): 1 out of 4 assignments used, quality = 0.73: QD PHE 96 + HG3 GLU 99 OK 73 79 100 92 3.8-6.1 4318/10181=92 HZ PHE 96 - HG3 GLU 99 far 3 57 5 - 6.3-9.8 HZ3 TRP 92 - HG3 GLU 99 lone 1 56 45 2 5.3-8.8 HE ARG 91 - HG3 GLU 99 far 0 40 0 - 8.1-13.4 Violated in 0 structures by 0.00 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 2.1-4.1 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; 6.01 A increased from 5.35 A): 1 out of 6 assignments used, quality = 0.91: QD1 LEU 2 + HG3 GLN 50 OK 91 92 100 99 4.7-5.8 12293/2.9=88...(10) QG2 ILE 76 - HG2 GLN 72 far 0 86 0 - 7.0-7.5 QD1 LEU 103 - HG3 GLN 50 far 0 100 0 - 8.1-18.7 QG2 ILE 76 - HG3 GLN 50 far 0 91 0 - 8.2-10.5 QD1 LEU 38 - HG2 GLN 72 far 0 98 0 - 8.7-9.3 QD2 LEU 64 - HG2 GLN 72 far 0 98 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 10629 from cnoeabs.peaks (0.87, 2.02, 28.95 ppm; 5.91 A increased from 4.98 A): 1 out of 13 assignments used, quality = 0.99: QD1 LEU 2 + HB2 GLN 50 OK 99 99 100 100 4.1-5.8 12293/1.8=89...(11) HG13 ILE 7 - HB3 GLU 17 far 4 77 5 - 6.2-8.1 QD1 LEU 103 - HB3 GLU 98 far 2 43 5 - 6.1-13.7 QD1 LEU 103 - HB2 GLU 98 far 2 41 5 - 6.1-14.1 QD1 LEU 103 - HB2 GLN 50 far 0 99 0 - 7.1-17.0 QG2 ILE 76 - HB2 GLU 44 far 0 50 0 - 7.4-8.0 QD1 LEU 38 - HB2 GLU 44 far 0 47 0 - 7.9-8.5 QD1 LEU 2 - HB2 GLU 44 far 0 50 0 - 8.1-9.9 QG2 ILE 76 - HB2 GLN 50 far 0 99 0 - 8.2-9.9 QG2 ILE 76 - HB3 GLU 44 far 0 50 0 - 8.4-9.0 QD1 LEU 2 - HB3 GLU 44 far 0 50 0 - 8.8-10.6 QD1 LEU 38 - HB3 GLU 44 far 0 47 0 - 9.1-9.7 QG1 VAL 32 - HB2 GLU 44 far 0 30 0 - 9.8-10.2 Violated in 0 structures by 0.00 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 1.9-4.2 2.1/9116=84, 9126/3.5=55...(16) QD1 LEU 103 - HB3 ASN 51 far 0 100 0 - 6.6-14.3 QG2 ILE 76 - HB3 ASN 51 far 0 98 0 - 8.7-9.5 Violated in 0 structures by 0.00 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 0 100 0 - 6.2-6.8 HG2 GLU 48 - HB2 ASN 51 far 0 63 0 - 7.8-9.8 Violated in 20 structures by 1.33 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 4.4-5.4 3.3/8030=83, 4.2/9131=68...(10) HG2 GLN 50 - HB2 ASN 51 poor 16 79 20 - 3.7-7.7 HG3 GLN 50 - HB2 ASN 51 far 15 100 15 - 4.7-7.7 HG3 GLU 48 - HB2 ASN 51 far 0 100 0 - 6.8-8.8 Violated in 2 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 = 0.85: HB ILE 52 + HB3 ASN 51 OK 85 88 100 96 5.2-5.4 3.8/6856=78...(6) HB3 LYS 53 - HB3 ASN 51 far 0 61 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 10636 from cnoeabs.peaks (0.78, 2.95, 39.58 ppm; 6.38 A increased from 5.37 A): 2 out of 3 assignments used, quality = 1.00: QG2 ILE 52 + HB2 ASN 51 OK 100 100 100 100 6.0-6.6 6861/4.6=91, ~10634=77...(6) QD2 LEU 2 + HB2 ASN 51 OK 84 84 100 100 4.6-6.1 9116/1.8=97, ~10631=80...(17) QG1 VAL 78 - HB2 ASN 51 far 0 63 0 - 9.9-11.3 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 3.2-3.8 3.0/6870=93...(21) Violated in 0 structures by 0.00 A. Peak 10639 from cnoeabs.peaks (1.53, 5.33, 59.69 ppm; 5.25 A): 3 out of 11 assignments used, quality = 1.00: HG12 ILE 56 + HA THR 80 OK 100 100 100 100 4.0-4.5 2.9/10293=92...(22) HG3 ARG 79 + HA THR 80 OK 69 100 70 99 3.9-6.0 7301/2.9=88, ~7300=47...(11) HG LEU 2 + HA ILE 52 OK 63 63 100 100 3.1-4.7 3.0/8046=81, 3.0/8047=74...(14) HG2 ARG 79 - HA THR 80 far 5 100 5 - 5.0-6.6 HB2 LEU 3 - HA ILE 52 far 0 55 0 - 6.1-6.7 HD3 LYS 53 - HA ILE 52 far 0 56 0 - 6.2-6.6 HG LEU 57 - HA THR 80 far 0 79 0 - 6.8-7.6 HB3 GLU 28 - HA ILE 52 far 0 42 0 - 8.2-9.1 HG LEU 6 - HA THR 80 far 0 100 0 - 8.9-9.5 HG2 LYS 47 - HA ILE 52 far 0 34 0 - 9.8-11.4 HB3 LEU 103 - HA THR 80 far 0 100 0 - 9.9-24.1 Violated in 0 structures by 0.00 A. Peak 10640 from cnoeabs.peaks (0.89, 0.69, 14.38 ppm; 3.92 A): 1 out of 4 assignments used, quality = 0.99: QD1 LEU 2 + QD1 ILE 52 OK 99 99 100 100 2.0-3.9 12039/2.1=73...(25) QG2 ILE 76 - QD1 ILE 52 poor 20 99 20 - 4.0-4.8 QD1 LEU 38 - QD1 ILE 52 far 0 73 0 - 7.7-8.5 QD1 LEU 103 - QD1 ILE 52 far 0 81 0 - 8.9-15.2 Violated in 0 structures by 0.00 A. Peak 10641 from cnoeabs.peaks (2.04, 1.46, 27.19 ppm; 3.98 A): 2 out of 22 assignments used, quality = 0.94: HB3 GLU 48 + HG13 ILE 52 OK 80 100 80 100 3.4-4.7 9177/2.1=69...(23) HB3 LEU 38 + HG LEU 38 OK 70 70 100 100 2.4-2.5 3.0=100 HB3 LYS 94 - HG3 ARG 91 far 0 46 0 - 4.6-7.2 HG12 ILE 93 - HG LEU 29 far 0 66 0 - 5.0-5.9 HB3 GLU 88 - HG3 ARG 91 far 0 34 0 - 5.7-7.5 HB3 GLU 35 - HG LEU 38 far 0 55 0 - 5.8-6.7 HB2 GLU 35 - HG LEU 38 far 0 54 0 - 6.8-7.6 HG3 GLU 28 - HG LEU 29 far 0 58 0 - 7.6-9.4 HG2 GLU 28 - HG LEU 29 far 0 58 0 - 7.6-9.3 HG2 GLU 28 - HG13 ILE 52 far 0 93 0 - 7.8-9.9 HB2 MET 21 - HG LEU 29 far 0 66 0 - 7.9-8.6 HB2 GLU 98 - HG3 ARG 91 far 0 57 0 - 8.2-9.5 HG3 GLU 28 - HG13 ILE 52 far 0 93 0 - 8.4-10.0 HB2 GLU 62 - HG LEU 64 far 0 44 0 - 8.5-8.7 HB2 GLN 50 - HG13 ILE 52 far 0 91 0 - 8.9-9.2 HB3 GLU 99 - HG3 ARG 91 far 0 56 0 - 9.2-12.3 HG12 ILE 93 - HG3 ARG 91 far 0 56 0 - 9.3-9.9 HB2 GLU 99 - HG3 ARG 91 far 0 57 0 - 9.4-11.8 HB2 MET 21 - HG3 ARG 91 far 0 56 0 - 9.6-10.6 HB3 GLU 98 - HG3 ARG 91 far 0 57 0 - 9.6-11.1 HB2 GLU 62 - HG LEU 38 far 0 68 0 - 9.7-10.4 HB3 GLU 17 - HG LEU 29 far 0 34 0 - 9.9-10.6 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 17 assignments used, quality = 1.00: HB2 GLU 48 + HG13 ILE 52 OK 100 100 100 100 3.4-5.2 9040/2.1=95...(26) HB2 TYR 4 + HG13 ILE 52 OK 100 100 100 100 4.0-5.1 9239/10208=75...(16) HG2 GLU 95 + HG3 ARG 91 OK 35 43 95 86 2.7-6.1 ~10040=69, ~4050=19...(7) HG2 GLU 48 - HG13 ILE 52 poor 16 63 25 - 5.4-7.4 HD3 ARG 81 - HG LEU 64 far 0 61 0 - 6.7-9.1 HB2 TYR 4 - HG LEU 29 far 0 67 0 - 7.6-8.5 HB2 TYR 41 - HG LEU 38 far 0 83 0 - 7.7-8.3 HG2 GLU 23 - HG LEU 29 far 0 50 0 - 7.8-8.8 HG2 GLU 63 - HG LEU 38 far 0 93 0 - 7.8-8.5 HG2 GLU 37 - HG LEU 38 far 0 52 0 - 8.0-9.3 HD3 ARG 81 - HG3 ARG 91 far 0 53 0 - 8.1-12.4 HG2 GLU 62 - HG LEU 64 far 0 39 0 - 8.5-10.1 HB2 TYR 41 - HG LEU 29 far 0 59 0 - 8.5-8.9 HG3 GLU 62 - HG LEU 64 far 0 39 0 - 8.6-10.2 HG2 GLU 63 - HG LEU 64 far 0 65 0 - 8.8-9.2 HB2 TYR 41 - HG13 ILE 52 far 0 94 0 - 9.6-10.1 HG2 GLU 62 - HG LEU 38 far 0 61 0 - 9.6-12.0 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 14 assignments used, quality = 0.99: HB3 GLU 48 + QG2 ILE 52 OK 99 99 100 100 2.7-4.2 9177/2377=66, ~10645=53...(22) HB3 LEU 38 - QG2 ILE 8 far 0 42 0 - 4.9-6.9 HB2 GLN 50 - QG2 ILE 52 far 0 96 0 - 5.9-6.9 HB2 GLU 62 - QG2 ILE 8 far 0 53 0 - 6.6-7.2 QE MET 74 - QG2 ILE 52 far 0 61 0 - 7.0-7.6 HB2 GLU 44 - QG2 ILE 52 far 0 59 0 - 7.2-7.8 HB2 MET 74 - QG2 ILE 52 far 0 88 0 - 7.4-8.3 HB2 GLU 35 - QG2 ILE 8 far 0 43 0 - 7.5-8.4 HB3 GLU 44 - QG2 ILE 52 far 0 59 0 - 8.2-8.7 HB3 MET 1 - QG2 ILE 52 far 0 63 0 - 8.4-9.0 HB3 GLU 43 - QG2 ILE 52 far 0 85 0 - 9.1-9.4 HG2 GLU 28 - QG2 ILE 52 far 0 87 0 - 9.1-11.1 HG3 GLU 28 - QG2 ILE 52 far 0 87 0 - 9.7-11.0 QE MET 74 - QG2 ILE 8 far 0 35 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 10644 from cnoeabs.peaks (2.05, 1.67, 42.16 ppm; 6.06 A): 1 out of 3 assignments used, quality = 1.00: HB3 GLU 48 + HB ILE 52 OK 100 100 100 100 2.2-3.4 1.8/10645=100...(25) HB2 GLN 50 - HB ILE 52 far 0 77 0 - 6.5-7.0 HG2 GLU 28 - HB ILE 52 far 0 99 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 10645 from cnoeabs.peaks (2.31, 1.67, 42.16 ppm; 4.20 A): 1 out of 3 assignments used, quality = 0.98: HB2 GLU 48 + HB ILE 52 OK 98 98 100 100 2.0-3.3 9040/3.2=51, ~10643=49...(29) HG2 GLU 48 - HB ILE 52 far 9 88 10 - 4.5-5.7 HB2 TYR 4 - HB ILE 52 far 0 93 0 - 6.1-7.1 Violated in 0 structures by 0.00 A. Peak 10646 from cnoeabs.peaks (4.25, 1.67, 42.16 ppm; 5.40 A): 1 out of 1 assignment used, quality = 1.00: HA SER 49 + HB ILE 52 OK 100 100 100 100 3.2-4.0 9053=99, 9057/2.1=88...(22) 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 = 0.85: HA PHE 45 + QG2 ILE 52 OK 85 85 100 99 3.6-4.1 8996=80, 9170/2377=60...(16) HA LYS 33 - QG2 ILE 8 lone 9 65 100 15 3.3-4.0 ~9314=10, 10519/3.1=4 HA ASP 77 - QG2 ILE 52 far 0 87 0 - 5.4-6.6 HA THR 84 - QG2 ILE 8 far 0 40 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 10648 from cnoeabs.peaks (6.46, 5.16, 60.16 ppm; 5.39 A): 1 out of 2 assignments used, quality = 0.81: QD TYR 4 + HA VAL 54 OK 81 81 100 100 4.0-4.7 2.5/10204=86...(17) QE TYR 4 - HA VAL 54 far 0 96 0 - 6.2-6.8 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 4.4-5.2 6050/9224=80...(12) H ASP 77 + QG2 VAL 54 OK 61 63 100 96 4.5-5.6 4.3/11070=84...(4) H LEU 57 - QG2 VAL 54 far 0 100 0 - 7.8-8.4 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 97 100 100 97 5.3-5.8 9333/6068=88...(5) H VAL 5 + QG1 VAL 54 OK 95 95 100 100 3.5-4.2 3.0/12127=98...(15) H VAL 5 - QG1 VAL 78 far 0 75 0 - 7.4-7.9 H LEU 57 - QG1 VAL 78 far 0 82 0 - 7.8-8.4 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 4 assignments used, quality = 0.87: HB3 LYS 53 + HA VAL 54 OK 87 87 100 100 4.4-4.8 ~6887=66, 8138/10203=55...(21) HB2 LEU 2 - HA VAL 54 far 0 99 0 - 7.2-7.8 HB ILE 52 - HA VAL 54 far 0 59 0 - 7.5-8.2 HB2 GLU 28 - HA VAL 54 far 0 71 0 - 7.5-8.3 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 16 assignments used, quality = 0.00: HB3 LEU 42 - QG1 VAL 78 far 0 83 0 - 4.6-5.0 QB ALA 67 - QG1 VAL 54 far 0 75 0 - 5.4-5.9 QB ALA 67 - QG1 VAL 78 far 0 56 0 - 5.4-6.0 HB3 LEU 42 - QG1 VAL 54 far 0 100 0 - 5.7-6.4 HG2 ARG 30 - QG1 VAL 54 far 0 98 0 - 5.8-6.7 HB3 LEU 27 - QG1 VAL 54 far 0 61 0 - 6.7-7.6 HG2 LYS 39 - QG1 VAL 78 far 0 43 0 - 7.8-8.4 HG LEU 3 - QG1 VAL 54 far 0 100 0 - 8.0-8.6 HB3 LEU 2 - QG1 VAL 54 far 0 82 0 - 8.3-8.7 QB ALA 89 - QG1 VAL 54 far 0 71 0 - 8.6-9.1 QB ALA 25 - QG1 VAL 54 far 0 71 0 - 8.6-9.4 HG LEU 3 - QG1 VAL 78 far 0 82 0 - 8.7-9.7 HB3 LEU 2 - QG1 VAL 78 far 0 62 0 - 8.7-9.9 HG2 LYS 39 - QG1 VAL 54 far 0 59 0 - 8.9-9.6 HG2 ARG 30 - QG1 VAL 78 far 0 79 0 - 9.1-10.2 HB3 LEU 27 - QG1 VAL 78 far 0 44 0 - 9.7-10.5 Violated in 20 structures by 0.55 A. Peak 10654 from cnoeabs.peaks (1.05, 0.76, 21.39 ppm; 4.79 A increased from 4.03 A): 2 out of 8 assignments used, quality = 0.91: HB3 LEU 55 + QG1 VAL 54 OK 84 85 100 98 4.2-5.1 3.9/6905=79...(8) HG12 ILE 76 + QG1 VAL 78 OK 47 48 100 99 4.3-4.7 3.2/10906=61...(13) HG12 ILE 52 - QG1 VAL 78 far 12 80 15 - 4.5-6.0 HG12 ILE 52 - QG1 VAL 54 far 5 99 5 - 4.9-5.7 HB3 LEU 55 - QG1 VAL 78 far 0 65 0 - 6.5-7.2 HG12 ILE 76 - QG1 VAL 54 far 0 65 0 - 7.5-8.1 HB3 ARG 81 - QG1 VAL 54 far 0 100 0 - 8.1-8.6 HB3 ARG 81 - QG1 VAL 78 far 0 83 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 10655 from cnoeabs.peaks (1.65, 0.76, 21.39 ppm; 3.85 A): 2 out of 24 assignments used, quality = 0.89: HB ILE 76 + QG1 VAL 78 OK 79 80 100 98 2.3-2.6 2.1/10906=60...(14) HB3 LEU 6 + QG1 VAL 54 OK 47 100 55 85 3.9-4.4 6065/6068=51, 1.8/199=37...(6) HB ILE 76 - QG1 VAL 54 far 0 99 0 - 5.8-6.5 HB3 LYS 53 - QG1 VAL 78 far 0 56 0 - 5.9-6.8 HB3 LYS 53 - QG1 VAL 54 far 0 75 0 - 5.9-6.3 HB3 ARG 79 - QG1 VAL 54 far 0 100 0 - 6.1-7.3 HB3 ARG 79 - QG1 VAL 78 far 0 83 0 - 6.3-6.9 HB ILE 52 - QG1 VAL 78 far 0 76 0 - 6.5-7.7 HB3 LEU 6 - QG1 VAL 78 far 0 82 0 - 6.7-7.2 HB ILE 52 - QG1 VAL 54 far 0 96 0 - 7.4-8.1 HG2 LYS 68 - QG1 VAL 78 far 0 79 0 - 8.0-8.6 HD3 LYS 68 - QG1 VAL 78 far 0 83 0 - 8.3-9.9 HD2 LYS 68 - QG1 VAL 78 far 0 83 0 - 8.5-10.1 HB2 LYS 40 - QG1 VAL 54 far 0 99 0 - 8.7-9.6 HD2 LYS 39 - QG1 VAL 78 far 0 83 0 - 8.8-10.8 HD2 LYS 73 - QG1 VAL 78 far 0 78 0 - 9.2-11.0 HG3 LYS 47 - QG1 VAL 78 far 0 54 0 - 9.4-11.1 HG3 LYS 47 - QG1 VAL 54 far 0 73 0 - 9.5-11.7 HD3 LYS 39 - QG1 VAL 78 far 0 78 0 - 9.5-10.5 HG2 LYS 68 - QG1 VAL 54 far 0 98 0 - 9.7-10.2 HD3 LYS 73 - QG1 VAL 78 far 0 80 0 - 9.7-11.0 HB3 LYS 40 - QG1 VAL 54 far 0 79 0 - 9.8-10.4 HD3 LYS 47 - QG1 VAL 54 far 0 82 0 - 9.9-11.7 HD3 LYS 68 - QG1 VAL 54 far 0 100 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 10656 from cnoeabs.peaks (2.98, 0.76, 21.39 ppm; 4.91 A): 4 out of 8 assignments used, quality = 1.00: HB2 PHE 45 + QG1 VAL 54 OK 99 100 100 99 4.1-5.2 4.4/9226=62, ~9222=61...(12) HB3 PHE 45 + QG1 VAL 54 OK 94 95 100 99 4.0-5.0 4.4/9226=62, ~9222=61...(12) HB2 PHE 45 + QG1 VAL 78 OK 36 83 100 43 4.3-5.1 9653/10906=20...(5) HB3 PHE 45 + QG1 VAL 78 OK 29 75 100 39 4.3-5.1 9653/10906=16...(5) HE3 LYS 73 - QG1 VAL 78 far 0 44 0 - 9.2-12.1 HE2 LYS 73 - QG1 VAL 78 far 0 53 0 - 9.7-12.0 HE2 LYS 47 - QG1 VAL 54 far 0 99 0 - 9.7-12.9 HB2 ASN 51 - QG1 VAL 78 far 0 44 0 - 9.9-11.3 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 0 99 0 - 4.3-5.0 HA LEU 42 - QG1 VAL 78 far 0 80 0 - 4.5-5.0 HB THR 80 - QG1 VAL 78 far 0 49 0 - 7.1-8.3 HB THR 80 - QG1 VAL 54 far 0 68 0 - 8.0-8.5 HA LEU 64 - QG1 VAL 78 far 0 48 0 - 8.9-9.7 HA LEU 64 - QG1 VAL 54 far 0 65 0 - 8.9-9.4 HA3 GLY 100 - QG1 VAL 54 far 0 100 0 - 9.0-12.2 HA GLU 37 - QG1 VAL 54 far 0 100 0 - 9.1-9.8 HA3 GLY 100 - QG1 VAL 78 far 0 83 0 - 9.8-12.0 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 18 assignments used, quality = 0.82: HA ALA 71 + QG1 VAL 78 OK 82 82 100 100 3.8-4.1 2.1/10210=86, ~9685=47...(13) HA LEU 38 - QG1 VAL 54 far 0 90 0 - 5.6-6.3 HA ALA 67 - QG1 VAL 78 far 0 83 0 - 6.4-7.1 HA ALA 71 - QG1 VAL 54 far 0 100 0 - 6.5-7.1 HB3 SER 49 - QG1 VAL 78 far 0 83 0 - 6.7-8.3 HA ALA 67 - QG1 VAL 54 far 0 100 0 - 6.9-7.5 HA LEU 38 - QG1 VAL 78 far 0 69 0 - 7.2-7.7 HA GLU 43 - QG1 VAL 78 far 0 56 0 - 7.7-8.2 HA2 GLY 101 - QG1 VAL 78 far 0 77 0 - 8.1-13.7 HA GLU 43 - QG1 VAL 54 far 0 75 0 - 8.4-9.1 HA2 GLY 101 - QG1 VAL 54 far 0 97 0 - 8.6-12.6 HB3 SER 49 - QG1 VAL 54 far 0 100 0 - 8.8-10.5 HA LYS 40 - QG1 VAL 54 far 0 98 0 - 9.0-9.5 HA ALA 22 - QG1 VAL 54 far 0 85 0 - 9.1-10.0 HA SER 97 - QG1 VAL 54 far 0 68 0 - 9.2-10.0 HA GLU 35 - QG1 VAL 54 far 0 68 0 - 9.5-10.1 HA LYS 40 - QG1 VAL 78 far 0 78 0 - 9.6-9.9 HA GLU 35 - QG1 VAL 78 far 0 49 0 - 10.0-10.5 Violated in 1 structures by 0.00 A. Peak 10662 from cnoeabs.peaks (9.20, 0.76, 21.39 ppm; 4.79 A): 2 out of 2 assignments used, quality = 0.98: H ILE 56 + QG1 VAL 54 OK 96 98 100 98 3.4-4.0 4.7/6905=66...(9) H ILE 56 + QG1 VAL 78 OK 65 78 90 93 4.7-5.5 9300/3.2=56, 9697/4.3=56...(6) 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 = 1.00: H LEU 6 + QG1 VAL 54 OK 100 100 100 100 2.5-3.4 6068=99, 6059/12127=74...(12) H LEU 6 - QG1 VAL 78 far 0 83 0 - 6.2-6.9 H LYS 33 - QG1 VAL 54 far 0 98 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 10664 from cnoeabs.peaks (1.51, -0.63, 42.07 ppm; 6.36 A increased from 5.98 A): 5 out of 9 assignments used, quality = 1.00: HG LEU 57 + HB2 LEU 55 OK 98 98 100 100 5.2-6.6 9268/3.1=92, ~9272=87...(15) HG12 ILE 56 + HB2 LEU 55 OK 95 95 100 100 5.8-6.1 6924/4.5=87, 9317/3.0=73...(7) HG LEU 6 + HB2 LEU 55 OK 49 99 70 70 6.3-7.8 8224/9250=48...(3) HG2 ARG 79 + HB2 LEU 55 OK 28 92 30 100 3.7-7.2 ~9252=71, ~9693=67...(13) HG3 ARG 79 + HB2 LEU 55 OK 23 91 25 100 3.4-8.0 ~9252=71, ~9693=67...(12) HD3 LYS 53 - HB2 LEU 55 far 3 61 5 - 6.6-8.7 HB ILE 7 - HB2 LEU 55 far 0 99 0 - 7.3-9.2 HB2 LEU 3 - HB2 LEU 55 far 0 59 0 - 7.6-8.3 HB3 LEU 103 - HB2 LEU 55 far 0 99 0 - 9.8-20.0 Violated in 0 structures by 0.00 A. Peak 10665 from cnoeabs.peaks (3.10, -0.63, 42.07 ppm; 5.87 A): 1 out of 4 assignments used, quality = 1.00: HB2 PHE 96 + HB2 LEU 55 OK 100 100 100 100 4.2-4.9 10048/3.1=89, ~9263=76...(22) HD3 ARG 79 - HB2 LEU 55 poor 19 75 25 - 2.2-8.9 HD2 ARG 79 - HB2 LEU 55 far 11 71 15 - 3.6-9.1 HB2 TRP 92 - HB2 LEU 55 far 0 100 0 - 6.6-7.6 Violated in 0 structures by 0.00 A. Peak 10666 from cnoeabs.peaks (1.81, 0.44, 22.30 ppm; 5.65 A): 2 out of 9 assignments used, quality = 0.97: HB3 LEU 57 + QD1 LEU 55 OK 92 97 95 100 4.9-6.2 3.1/9272=99, ~9269=75...(18) HB VAL 78 + QD1 LEU 55 OK 56 77 95 77 5.1-6.1 4.4/9692=71, 6922/2544=17 HB2 LYS 53 - QD1 LEU 55 far 11 75 15 - 5.4-6.3 HB ILE 93 - QD1 LEU 55 far 0 100 0 - 6.7-7.4 HB2 GLU 104 - QD1 LEU 55 far 0 100 0 - 7.3-17.4 HB2 GLU 88 - QD1 LEU 55 far 0 100 0 - 8.0-9.0 HB2 LYS 68 - QD1 LEU 55 far 0 81 0 - 8.5-9.3 HB2 LYS 90 - QD1 LEU 55 far 0 100 0 - 9.7-10.5 HB3 LYS 90 - QD1 LEU 55 far 0 87 0 - 9.8-10.6 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 4.2-5.0 3.0/9256=83, 9260/2.1=82...(15) Violated in 0 structures by 0.00 A. Peak 10669 from cnoeabs.peaks (6.97, 4.67, 52.29 ppm; 4.24 A increased from 3.99 A): 1 out of 1 assignment used, quality = 0.96: QE PHE 96 + HA LEU 55 OK 96 99 100 97 3.7-4.3 9291/2.9=58...(13) Violated in 2 structures by 0.00 A. Peak 10672 from cnoeabs.peaks (1.65, 0.60, 16.63 ppm; 3.79 A): 1 out of 8 assignments used, quality = 1.00: HB3 LEU 6 + QG2 ILE 56 OK 100 100 100 100 3.2-3.6 8236=73, 1.8/9326=62...(18) HG2 LYS 68 - QG2 ILE 56 far 0 100 0 - 6.2-6.5 HD3 LYS 68 - QG2 ILE 56 far 0 100 0 - 6.5-8.2 HD2 LYS 68 - QG2 ILE 56 far 0 100 0 - 6.6-8.4 HB3 ARG 79 - QG2 ILE 56 far 0 100 0 - 6.9-7.4 HB ILE 76 - QG2 ILE 56 far 0 100 0 - 8.2-8.6 HB2 LYS 40 - QG2 ILE 56 far 0 100 0 - 9.4-10.2 HD2 LYS 39 - QG2 ILE 56 far 0 100 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 10673 from cnoeabs.peaks (1.90, 0.60, 16.63 ppm; 4.58 A): 1 out of 8 assignments used, quality = 1.00: HB ILE 8 + QG2 ILE 56 OK 100 100 100 100 3.8-4.4 10383=84, 2.9/8312=63...(11) HB3 LYS 68 - QG2 ILE 56 far 0 84 0 - 5.4-5.7 HG LEU 42 - QG2 ILE 56 far 0 100 0 - 5.8-6.2 HB VAL 54 - QG2 ILE 56 far 0 98 0 - 5.8-6.2 HB3 LYS 66 - QG2 ILE 56 far 0 65 0 - 6.1-6.4 HB VAL 5 - QG2 ILE 56 far 0 65 0 - 7.7-8.0 HB3 LYS 39 - QG2 ILE 56 far 0 68 0 - 8.2-9.7 HB2 LYS 33 - QG2 ILE 56 far 0 92 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 10674 from cnoeabs.peaks (0.83, 0.60, 16.63 ppm; 3.35 A): 2 out of 12 assignments used, quality = 0.71: QD2 LEU 38 + QG2 ILE 56 OK 60 99 100 61 2.1-2.5 9526/9528=27...(9) QD1 LEU 38 + QG2 ILE 56 OK 29 82 100 35 2.9-3.4 9526/9528=14...(6) QG2 VAL 32 - QG2 ILE 56 far 0 100 0 - 3.9-4.4 QD2 LEU 57 - QG2 ILE 56 far 0 61 0 - 4.0-4.3 QD1 LEU 70 - QG2 ILE 56 far 0 94 0 - 4.9-5.8 QD1 LEU 57 - QG2 ILE 56 far 0 100 0 - 5.1-5.6 QG2 ILE 7 - QG2 ILE 56 far 0 68 0 - 5.8-6.0 QD2 LEU 64 - QG2 ILE 56 far 0 79 0 - 6.1-6.5 QD2 LEU 70 - QG2 ILE 56 far 0 84 0 - 7.1-7.6 QD1 ILE 76 - QG2 ILE 56 far 0 71 0 - 7.2-7.7 QG2 ILE 15 - QG2 ILE 56 far 0 87 0 - 8.3-9.0 QD1 LEU 103 - QG2 ILE 56 far 0 75 0 - 9.6-18.2 Violated in 0 structures by 0.00 A. Peak 10675 from cnoeabs.peaks (0.97, 0.71, 27.60 ppm; 5.10 A): 1 out of 5 assignments used, quality = 0.99: QG2 THR 80 + HG13 ILE 56 OK 99 99 100 100 4.1-4.4 12206/1.8=96...(20) HG LEU 55 - HG13 ILE 56 far 0 100 0 - 6.2-6.7 QG2 VAL 5 - HG13 ILE 56 far 0 88 0 - 6.9-7.3 QG2 VAL 83 - HG13 ILE 56 far 0 100 0 - 8.7-9.0 HB2 ARG 81 - HG13 ILE 56 far 0 63 0 - 9.4-10.3 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 3 assignments used, quality = 0.98: HB2 LEU 6 + HG13 ILE 56 OK 98 99 100 100 2.4-2.6 8235/3.2=69, 8221/3.9=56...(11) HB2 LEU 57 - HG13 ILE 56 far 0 100 0 - 8.1-8.3 QB ALA 18 - HG13 ILE 56 far 0 63 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 10677 from cnoeabs.peaks (1.36, 0.71, 27.60 ppm; 4.06 A increased from 3.82 A): 1 out of 6 assignments used, quality = 0.91: QB ALA 67 + HG13 ILE 56 OK 91 92 100 99 3.8-3.9 9528/3.2=63...(13) HG12 ILE 8 - HG13 ILE 56 far 0 100 0 - 5.3-6.1 HB2 LEU 70 - HG13 ILE 56 far 0 98 0 - 7.0-7.7 HB3 ARG 30 - HG13 ILE 56 far 0 97 0 - 7.3-7.8 HG3 LYS 68 - HG13 ILE 56 far 0 99 0 - 9.7-10.0 QB ALA 89 - HG13 ILE 56 far 0 94 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 10678 from cnoeabs.peaks (1.90, 0.71, 27.60 ppm; 4.86 A): 1 out of 6 assignments used, quality = 0.62: HB VAL 54 + HG13 ILE 56 OK 62 96 100 64 4.2-4.9 10349/2587=27, ~10207=27...(4) HG LEU 42 - HG13 ILE 56 far 10 100 10 - 5.1-5.7 HB VAL 32 - HG13 ILE 56 far 0 59 0 - 6.3-6.7 HB ILE 8 - HG13 ILE 56 far 0 100 0 - 6.9-7.8 HB3 LYS 68 - HG13 ILE 56 far 0 77 0 - 7.5-7.8 HB3 LYS 39 - HG13 ILE 56 far 0 59 0 - 9.3-11.0 Violated in 1 structures by 0.00 A. Peak 10679 from cnoeabs.peaks (0.97, 1.53, 27.60 ppm; 4.93 A): 1 out of 5 assignments used, quality = 0.96: QG2 THR 80 + HG12 ILE 56 OK 96 96 100 100 3.6-3.9 12206=96, 9729/2.9=87...(23) HG LEU 55 - HG12 ILE 56 far 0 100 0 - 5.4-5.8 QG2 VAL 5 - HG12 ILE 56 far 0 93 0 - 6.5-7.0 HB2 ARG 81 - HG12 ILE 56 far 0 71 0 - 8.3-9.5 QG2 VAL 83 - HG12 ILE 56 far 0 100 0 - 8.8-9.1 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 7 assignments used, quality = 1.00: QB ALA 67 + HG12 ILE 56 OK 100 100 100 100 4.0-4.4 9528/3.2=83...(16) HG12 ILE 8 - HG12 ILE 56 far 0 85 0 - 6.7-7.6 HB2 LEU 70 - HG12 ILE 56 far 0 75 0 - 7.6-8.3 HB3 LEU 42 - HG12 ILE 56 far 0 68 0 - 8.0-8.5 HB3 ARG 30 - HG12 ILE 56 far 0 71 0 - 8.3-9.0 HG3 LYS 68 - HG12 ILE 56 far 0 99 0 - 9.1-9.7 QB ALA 89 - HG12 ILE 56 far 0 100 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 10681 from cnoeabs.peaks (1.33, 0.71, 13.82 ppm; 3.03 A): 3 out of 21 assignments used, quality = 1.00: QB ALA 67 + QD1 ILE 56 OK 97 100 100 97 1.9-2.3 9528/3.0=43, 9527=41...(16) 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 52 97 100 53 2.5-3.0 9527=20, 9528/8313=18...(7) HB2 LEU 70 - QD1 ILE 56 far 0 68 0 - 4.4-5.0 HG12 ILE 8 - QD1 ILE 56 far 0 79 0 - 5.5-6.1 HB3 LEU 42 - QD1 ILE 56 far 0 75 0 - 5.7-6.1 HG3 LYS 68 - QD1 ILE 56 far 0 96 0 - 6.1-6.5 HB2 LEU 70 - QD1 ILE 8 far 0 63 0 - 6.5-6.9 HG2 LYS 39 - QD1 ILE 56 far 0 99 0 - 7.4-8.2 HB3 ARG 30 - QD1 ILE 8 far 0 59 0 - 7.8-8.2 HB3 ARG 30 - QD1 ILE 56 far 0 63 0 - 7.9-8.2 HB2 LYS 82 - QD1 ILE 8 far 0 96 0 - 7.9-8.5 QB ALA 89 - QD1 ILE 8 far 0 97 0 - 8.0-8.5 HG3 LYS 40 - QD1 ILE 8 far 0 80 0 - 8.6-10.3 HG3 LYS 68 - QD1 ILE 8 far 0 92 0 - 8.7-9.1 HB2 LYS 82 - QD1 ILE 56 far 0 99 0 - 8.9-9.3 HG2 LYS 39 - QD1 ILE 8 far 0 95 0 - 9.0-9.9 HG3 LYS 40 - QD1 ILE 56 far 0 85 0 - 9.1-10.3 HB3 LEU 42 - QD1 ILE 8 far 0 70 0 - 9.1-9.5 QB ALA 89 - QD1 ILE 56 far 0 100 0 - 9.5-9.9 HG LEU 14 - QD1 ILE 8 far 0 91 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 10682 from cnoeabs.peaks (0.99, 0.71, 13.82 ppm; 3.60 A): 1 out of 10 assignments used, quality = 0.98: QG2 THR 80 + QD1 ILE 56 OK 98 98 100 100 2.0-2.5 12206/2.1=56...(23) QG2 THR 80 - QD1 ILE 8 far 0 94 0 - 4.4-4.8 QG2 VAL 83 - QD1 ILE 8 far 0 74 0 - 6.2-6.6 HG LEU 55 - QD1 ILE 56 far 0 81 0 - 6.3-6.7 HB3 LEU 55 - QD1 ILE 56 far 0 68 0 - 6.8-7.1 HG LEU 55 - QD1 ILE 8 far 0 75 0 - 7.6-8.3 QG1 VAL 83 - QD1 ILE 8 far 0 89 0 - 7.6-8.3 QG2 VAL 83 - QD1 ILE 56 far 0 79 0 - 8.0-8.3 QG1 VAL 83 - QD1 ILE 56 far 0 94 0 - 8.4-8.9 HB3 LEU 55 - QD1 ILE 8 far 0 63 0 - 8.5-9.9 Violated in 0 structures by 0.00 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 4.5-4.9 8272/3.0=91, 8271/3.0=88...(9) HA VAL 5 - HG LEU 57 far 0 98 0 - 6.0-6.7 HA TYR 4 - HG3 ARG 30 far 0 40 0 - 6.7-8.8 HA VAL 5 - HG3 ARG 30 far 0 50 0 - 7.7-9.2 HA SER 85 - HG LEU 57 far 0 94 0 - 9.6-10.7 HA ILE 7 - HG3 ARG 30 far 0 49 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 10688 from cnoeabs.peaks (5.12, 0.80, 25.48 ppm; 5.26 A): 3 out of 13 assignments used, quality = 1.00: HA ILE 7 + QD2 LEU 57 OK 98 98 100 100 3.5-4.7 9332/6940=87...(8) HA VAL 5 + QD2 LEU 57 OK 93 98 100 95 3.8-5.3 9261/9269=62...(8) HA VAL 5 + QD1 LEU 6 OK 64 64 100 100 4.7-5.2 6059/4.6=79, 8220/3.1=78...(12) HA ILE 7 - QD2 LEU 38 poor 16 60 45 58 5.4-5.8 9306/10674=22...(4) HA ILE 7 - QD1 LEU 6 far 0 63 0 - 6.3-6.4 HA TYR 4 - QD1 LEU 6 far 0 51 0 - 6.5-7.0 HA VAL 5 - QD2 LEU 38 far 0 60 0 - 6.7-7.2 HA TYR 4 - QD2 LEU 57 far 0 85 0 - 7.3-9.0 HA LEU 3 - QD1 LEU 6 far 0 65 0 - 8.4-9.0 HA LEU 3 - QD2 LEU 57 far 0 99 0 - 8.8-10.1 HA TYR 4 - QD2 LEU 38 far 0 48 0 - 9.2-9.8 HA ILE 7 - QD1 LEU 70 far 0 57 0 - 9.9-10.9 HA SER 85 - QD2 LEU 57 far 0 94 0 - 10.0-10.3 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 3.5-3.7 6954/6945=70, 10706=64...(12) QG2 VAL 58 + HA LEU 57 OK 78 79 100 99 3.9-4.1 6953/6945=60...(14) HG3 ARG 81 - HA LEU 57 poor 14 68 20 - 3.9-6.3 QD1 LEU 64 - HA LEU 57 far 0 63 0 - 4.5-4.9 QG1 VAL 5 - HA LEU 57 far 0 90 0 - 5.2-5.8 QD1 ILE 8 - HA LEU 57 far 0 100 0 - 5.3-5.9 QD1 ILE 56 - HA LEU 57 far 0 100 0 - 6.2-6.4 QD2 LEU 14 - HA LEU 57 far 0 100 0 - 6.3-6.9 HG13 ILE 56 - HA LEU 57 far 0 99 0 - 6.6-6.7 QD1 LEU 14 - HA LEU 57 far 0 82 0 - 7.0-7.4 HG13 ILE 93 - HA LEU 57 far 0 59 0 - 7.4-8.0 QG2 VAL 78 - HA LEU 57 far 0 95 0 - 7.6-7.9 QD2 LEU 6 - HA LEU 57 far 0 94 0 - 8.2-8.4 QD1 LEU 42 - HA LEU 57 far 0 96 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 10690 from cnoeabs.peaks (0.71, 1.20, 42.45 ppm; 4.82 A increased from 4.54 A): 3 out of 14 assignments used, quality = 1.00: QG1 VAL 58 + HB2 LEU 57 OK 99 100 100 100 4.9-5.0 6954/6946=75...(9) QD2 LEU 14 + HB2 LEU 57 OK 97 100 100 97 4.3-4.9 10403/9819=74...(8) QG1 VAL 5 + HB2 LEU 57 OK 45 98 60 78 4.9-5.3 10695/3.0=45...(5) HG3 ARG 81 - HB2 LEU 57 poor 17 84 20 - 4.7-7.7 QD1 LEU 14 - HB2 LEU 57 far 3 65 5 - 5.1-5.5 QG2 VAL 58 - HB2 LEU 57 far 0 61 0 - 5.2-5.3 QD1 ILE 8 - HB2 LEU 57 far 0 100 0 - 6.1-6.7 HG13 ILE 93 - HB2 LEU 57 far 0 77 0 - 6.2-6.5 QD1 LEU 64 - HB2 LEU 57 far 0 81 0 - 6.5-6.8 QD1 ILE 56 - HB2 LEU 57 far 0 100 0 - 8.0-8.1 QG2 ILE 93 - HB2 LEU 57 far 0 63 0 - 8.0-8.3 HG13 ILE 56 - HB2 LEU 57 far 0 100 0 - 8.1-8.3 QD2 LEU 6 - HB2 LEU 57 far 0 82 0 - 8.3-8.5 QG2 VAL 78 - HB2 LEU 57 far 0 99 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 10691 from cnoeabs.peaks (0.71, 1.82, 42.45 ppm; 4.85 A): 3 out of 14 assignments used, quality = 0.99: QG1 VAL 5 + HB3 LEU 57 OK 86 95 100 91 3.6-4.0 10695/3.0=45...(12) QG1 VAL 58 + HB3 LEU 57 OK 78 99 80 100 5.1-5.2 10706/2.9=73...(9) QD2 LEU 14 + HB3 LEU 57 OK 54 100 55 99 5.0-5.6 10272/8287=70...(9) HG13 ILE 93 - HB3 LEU 57 far 0 70 0 - 5.4-5.9 HG3 ARG 81 - HB3 LEU 57 far 0 77 0 - 5.8-8.0 QD1 ILE 8 - HB3 LEU 57 far 0 100 0 - 5.8-6.3 QG2 VAL 58 - HB3 LEU 57 far 0 70 0 - 5.9-6.1 QD1 LEU 14 - HB3 LEU 57 far 0 73 0 - 6.0-6.6 HG13 ILE 56 - HB3 LEU 57 far 0 100 0 - 6.9-7.1 QD2 LEU 6 - HB3 LEU 57 far 0 88 0 - 6.9-7.2 QD1 LEU 64 - HB3 LEU 57 far 0 73 0 - 6.9-7.4 QD1 ILE 56 - HB3 LEU 57 far 0 100 0 - 7.2-7.4 QG2 VAL 78 - HB3 LEU 57 far 0 98 0 - 8.8-9.1 QG1 VAL 78 - HB3 LEU 57 far 0 65 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 10695 from cnoeabs.peaks (0.71, 1.50, 26.28 ppm; 4.11 A): 2 out of 23 assignments used, quality = 0.86: QG1 VAL 5 + HG LEU 57 OK 76 95 100 80 3.5-3.9 8195/9268=43...(10) QD2 LEU 6 + HG3 ARG 30 OK 41 42 100 98 3.1-4.1 8717/2.9=53, 8722/3.0=40...(16) HG13 ILE 93 - HG LEU 57 poor 16 70 100 23 3.9-4.4 9270/9268=22 HG3 ARG 81 - HG LEU 57 far 0 77 0 - 4.9-6.6 QD2 LEU 14 - HG LEU 57 far 0 100 0 - 5.8-6.4 QD1 LEU 14 - HG LEU 57 far 0 73 0 - 6.1-6.9 QG1 VAL 58 - HG LEU 57 far 0 99 0 - 6.5-6.6 QG1 VAL 5 - HG3 ARG 30 far 0 47 0 - 6.8-8.1 QG2 VAL 58 - HG LEU 57 far 0 70 0 - 6.8-7.0 QD1 LEU 64 - HG LEU 57 far 0 73 0 - 7.3-7.9 QD1 ILE 8 - HG LEU 57 far 0 100 0 - 7.5-8.1 QD1 ILE 52 - HG3 ARG 30 far 0 48 0 - 7.6-9.2 QD1 ILE 56 - HG LEU 57 far 0 100 0 - 8.1-8.6 HG13 ILE 56 - HG LEU 57 far 0 100 0 - 8.1-8.6 QD2 LEU 6 - HG LEU 57 far 0 88 0 - 8.3-8.5 QD1 LEU 42 - HG3 ARG 30 far 0 43 0 - 8.9-10.6 QG2 VAL 78 - HG LEU 57 far 0 98 0 - 9.1-9.8 HG13 ILE 56 - HG3 ARG 30 far 0 53 0 - 9.1-10.6 QD1 ILE 56 - HG3 ARG 30 far 0 53 0 - 9.1-10.5 QG1 VAL 78 - HG3 ARG 30 far 0 28 0 - 9.2-11.1 QD1 ILE 8 - HG3 ARG 30 far 0 53 0 - 9.3-10.3 QD2 LEU 27 - HG3 ARG 30 far 0 44 0 - 9.3-10.9 QG1 VAL 78 - HG LEU 57 far 0 65 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 10696 from cnoeabs.peaks (0.69, 0.80, 25.48 ppm; 2.69 A): 3 out of 46 assignments used, quality = 0.88: QD2 LEU 6 + QD1 LEU 6 OK 66 66 100 100 2.0-2.1 2.1=100 QD1 ILE 8 + QD2 LEU 38 OK 47 59 100 80 1.8-2.3 324=33, 12201/2.1=22...(13) HG13 ILE 56 + QD1 LEU 6 OK 33 58 100 56 2.4-2.8 10676/3.1=15, 206/3.1=12...(9) QD2 LEU 6 - QD2 LEU 38 poor 19 62 85 37 2.7-3.1 ~12070=9, 14618/14617=6...(9) HG13 ILE 56 - QD2 LEU 38 poor 19 55 35 - 2.7-3.4 QD1 ILE 56 - QD2 LEU 38 poor 7 60 35 31 2.7-3.3 3.0/10674=11...(5) QG1 VAL 5 - QD2 LEU 57 far 4 75 5 - 1.9-3.6 QD1 ILE 56 - QD1 LEU 6 far 0 64 0 - 3.2-3.4 QD1 LEU 42 - QD1 LEU 70 far 0 60 0 - 3.3-4.1 QD1 LEU 42 - QD1 LEU 6 far 0 67 0 - 3.8-4.1 QG1 VAL 58 - QD2 LEU 38 far 0 48 0 - 3.9-4.4 QD1 LEU 42 - QD2 LEU 38 far 0 63 0 - 4.0-4.3 QD1 ILE 56 - QD1 LEU 70 far 0 57 0 - 4.2-5.2 QD1 ILE 8 - QD1 LEU 6 far 0 62 0 - 4.4-4.7 QG1 VAL 58 - QD2 LEU 57 far 0 85 0 - 4.6-5.1 QD1 ILE 8 - QD1 LEU 70 far 0 56 0 - 4.6-5.2 QG2 VAL 78 - QD1 LEU 6 far 0 50 0 - 4.7-5.3 QG2 VAL 58 - QD2 LEU 57 far 0 92 0 - 4.8-5.7 QG1 VAL 5 - QD1 LEU 6 far 0 44 0 - 5.2-5.7 HG13 ILE 56 - QD2 LEU 57 far 0 93 0 - 5.4-5.6 QG2 VAL 78 - QD2 LEU 38 far 0 47 0 - 5.4-5.9 QD1 ILE 56 - QD2 LEU 57 far 0 98 0 - 5.4-5.7 QD1 ILE 52 - QD1 LEU 6 far 0 68 0 - 5.5-6.7 QG1 VAL 58 - QD1 LEU 70 far 0 46 0 - 5.7-6.3 QD1 ILE 8 - QD2 LEU 57 far 0 97 0 - 5.7-6.2 QG2 VAL 78 - QD1 LEU 70 far 0 45 0 - 5.9-6.7 QG1 VAL 58 - QD1 LEU 6 far 0 51 0 - 5.9-6.3 QD2 LEU 6 - QD2 LEU 57 far 0 99 0 - 5.9-7.0 QG2 VAL 58 - QD2 LEU 38 far 0 54 0 - 6.0-6.5 QG1 VAL 5 - QD2 LEU 38 far 0 41 0 - 6.0-6.5 QG2 VAL 78 - QD2 LEU 57 far 0 84 0 - 6.1-6.5 QD2 LEU 14 - QD2 LEU 57 far 0 98 0 - 6.1-6.6 HG13 ILE 56 - QD1 LEU 70 far 0 52 0 - 6.3-7.4 QD1 LEU 14 - QD2 LEU 57 far 0 94 0 - 6.6-7.0 QD2 LEU 6 - QD1 LEU 70 far 0 59 0 - 6.7-7.8 QG2 VAL 58 - QD1 LEU 70 far 0 51 0 - 7.2-7.8 QG2 VAL 58 - QD1 LEU 6 far 0 57 0 - 7.8-8.3 QD2 LEU 14 - QD2 LEU 38 far 0 60 0 - 7.9-8.3 QD2 LEU 27 - QD2 LEU 57 far 0 70 0 - 8.0-9.3 QD1 ILE 52 - QD2 LEU 38 far 0 64 0 - 8.3-9.5 QD1 LEU 42 - QD2 LEU 57 far 0 100 0 - 8.5-9.1 QD2 LEU 27 - QD1 LEU 6 far 0 40 0 - 9.0-9.8 QD2 LEU 14 - QD1 LEU 6 far 0 63 0 - 9.1-9.5 QD1 LEU 14 - QD2 LEU 38 far 0 56 0 - 9.6-10.0 QD1 ILE 52 - QD2 LEU 57 far 0 100 0 - 9.8-10.9 QG1 VAL 5 - QD1 LEU 70 far 0 39 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 10697 from cnoeabs.peaks (3.90, 0.80, 25.48 ppm; 3.74 A): 3 out of 29 assignments used, quality = 0.82: HA GLU 35 + QD1 LEU 70 OK 53 54 100 98 2.9-3.6 10609=87, 3.0/10608=53...(12) HA LEU 38 + QD2 LEU 38 OK 44 44 100 100 2.0-2.1 3.8=93, 1659/2.1=35...(22) HA LEU 38 + QD1 LEU 6 OK 31 46 100 66 2.9-3.4 1625/8876=23...(9) HA ALA 89 - QD2 LEU 57 far 0 100 0 - 4.2-4.7 HA GLU 35 - QD2 LEU 38 far 0 57 0 - 4.4-4.9 HA TYR 41 - QD1 LEU 6 far 0 53 0 - 4.4-4.7 HA LEU 38 - QD1 LEU 70 far 0 41 0 - 4.6-5.6 HA GLU 63 - QD1 LEU 70 far 0 58 0 - 5.6-6.0 HA GLU 63 - QD2 LEU 38 far 0 61 0 - 6.0-6.8 HA TYR 41 - QD2 LEU 38 far 0 49 0 - 6.3-6.8 HA LYS 40 - QD1 LEU 6 far 0 35 0 - 7.0-7.2 HA GLU 35 - QD1 LEU 6 far 0 61 0 - 7.0-7.6 HA LYS 40 - QD1 LEU 70 far 0 30 0 - 7.3-8.2 HA LYS 40 - QD2 LEU 38 far 0 32 0 - 7.5-7.8 HA GLU 43 - QD1 LEU 6 far 0 57 0 - 7.7-7.9 HB3 SER 9 - QD2 LEU 57 far 0 88 0 - 8.0-9.4 HA2 GLY 101 - QD2 LEU 57 far 0 63 0 - 8.3-13.1 HB3 SER 9 - QD2 LEU 38 far 0 51 0 - 8.3-9.5 HA GLU 44 - QD1 LEU 6 far 0 40 0 - 8.3-8.6 HA ARG 91 - QD2 LEU 57 far 0 96 0 - 8.4-8.9 HA LYS 94 - QD2 LEU 57 far 0 63 0 - 8.5-9.5 HA TYR 41 - QD1 LEU 70 far 0 47 0 - 8.7-9.7 HA GLU 43 - QD1 LEU 70 far 0 51 0 - 8.9-9.8 HA GLU 63 - QD1 LEU 6 far 0 64 0 - 9.2-9.6 HA LEU 38 - QD2 LEU 57 far 0 79 0 - 9.2-10.0 HA3 GLY 101 - QD2 LEU 57 far 0 99 0 - 9.3-12.1 HA GLU 43 - QD2 LEU 38 far 0 54 0 - 9.4-9.7 HA GLU 63 - QD2 LEU 57 far 0 99 0 - 9.6-10.1 HB2 SER 85 - QD2 LEU 57 far 0 100 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 10698 from cnoeabs.peaks (3.89, 0.83, 23.91 ppm; 3.98 A): 1 out of 14 assignments used, quality = 0.99: HA ALA 89 + QD1 LEU 57 OK 99 99 100 99 2.2-2.9 9824/9808=54...(15) HA GLU 35 - QD2 LEU 70 far 0 58 0 - 4.3-5.4 HA ALA 67 - QD2 LEU 70 far 0 28 0 - 5.1-5.7 HA LEU 38 - QD2 LEU 70 far 0 50 0 - 6.3-7.2 HB3 SER 9 - QD1 LEU 57 far 0 71 0 - 6.8-8.8 HA LYS 40 - QD2 LEU 70 far 0 40 0 - 6.8-7.7 HB2 SER 85 - QD1 LEU 57 far 0 99 0 - 7.2-8.2 HA ARG 91 - QD1 LEU 57 far 0 100 0 - 7.2-7.6 HA GLU 63 - QD2 LEU 70 far 0 48 0 - 7.7-8.4 HA GLU 43 - QD2 LEU 70 far 0 56 0 - 8.3-9.2 HA LYS 94 - QD1 LEU 57 far 0 82 0 - 9.1-9.4 HA TYR 41 - QD2 LEU 70 far 0 34 0 - 9.3-10.1 HA ALA 67 - QD1 LEU 57 far 0 59 0 - 9.5-10.4 HA GLU 63 - QD1 LEU 57 far 0 91 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 10699 from cnoeabs.peaks (1.77, 5.25, 58.24 ppm; 4.95 A): 1 out of 4 assignments used, quality = 1.00: HB3 GLU 63 + HA VAL 58 OK 100 100 100 100 4.3-4.6 10225/3.2=86...(26) HB ILE 56 - HA VAL 58 far 0 98 0 - 6.7-7.1 HB3 LYS 82 - HA VAL 58 far 0 99 0 - 7.7-7.8 HB2 GLU 88 - HA VAL 58 far 0 70 0 - 9.1-9.5 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 2.0-2.2 10236=81, 1.8/9375=77...(27) HG2 GLU 43 - HG3 MET 74 far 0 62 0 - 4.6-7.8 HG2 GLU 75 - HG3 MET 74 far 0 46 0 - 5.7-8.6 HG3 GLU 75 - HG3 MET 74 far 0 49 0 - 5.7-8.9 HB3 GLU 75 - HG3 MET 74 far 0 63 0 - 6.1-7.3 HB3 GLN 72 - HG3 MET 74 far 0 37 0 - 7.1-8.9 HG2 GLU 35 - HG3 MET 74 far 0 66 0 - 7.4-10.8 HB2 GLN 72 - HG3 MET 74 far 0 35 0 - 7.7-9.2 HG3 GLU 35 - HG3 MET 74 far 0 66 0 - 8.1-10.8 HG3 GLU 35 - HB VAL 58 far 0 100 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 10701 from cnoeabs.peaks (1.89, 2.60, 33.16 ppm; 4.45 A): 1 out of 7 assignments used, quality = 1.00: HB ILE 8 + HB VAL 58 OK 100 100 100 100 3.0-3.9 10224/2.1=92...(21) HB3 LYS 39 - HG3 MET 74 far 0 44 0 - 4.9-7.7 HG LEU 42 - HG3 MET 74 far 0 66 0 - 5.3-8.3 HB2 GLU 43 - HG3 MET 74 far 0 61 0 - 7.0-8.8 HB3 LYS 66 - HB VAL 58 far 0 75 0 - 7.0-7.4 HB3 LYS 68 - HB VAL 58 far 0 91 0 - 9.0-9.5 HB VAL 54 - HG3 MET 74 far 0 65 0 - 9.2-11.9 Violated in 0 structures by 0.00 A. Peak 10702 from cnoeabs.peaks (0.81, 2.60, 33.16 ppm; 4.52 A): 2 out of 16 assignments used, quality = 0.98: QG2 ILE 8 + HB VAL 58 OK 93 93 100 100 3.1-4.0 2.1/10701=75...(24) QD1 ILE 76 + HG3 MET 74 OK 65 65 100 100 3.0-4.3 9604/3.4=81, 9614/1.8=52...(20) QD2 LEU 70 - HG3 MET 74 poor 16 66 25 - 4.0-5.9 QD2 LEU 42 - HG3 MET 74 poor 8 32 25 - 4.3-6.6 QD1 LEU 70 - HG3 MET 74 far 0 63 0 - 5.5-7.8 QD2 LEU 38 - HB VAL 58 far 0 95 0 - 6.2-6.9 QD1 LEU 57 - HB VAL 58 far 0 90 0 - 6.6-6.7 QD2 LEU 57 - HB VAL 58 far 0 99 0 - 6.8-7.4 QD1 LEU 6 - HG3 MET 74 far 0 37 0 - 7.5-10.0 QG2 VAL 32 - HB VAL 58 far 0 84 0 - 7.6-8.4 QG2 ILE 7 - HB VAL 58 far 0 100 0 - 7.7-8.2 QD2 LEU 38 - HG3 MET 74 far 0 58 0 - 7.9-10.4 QD1 LEU 70 - HB VAL 58 far 0 99 0 - 8.3-8.8 QG2 ILE 52 - HG3 MET 74 far 0 47 0 - 8.6-10.5 QD1 LEU 6 - HB VAL 58 far 0 68 0 - 8.9-9.4 QG2 VAL 32 - HG3 MET 74 far 0 49 0 - 9.4-11.7 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 3.0-3.9 2.1/9374=80, 8302=54...(24) QD1 LEU 57 - HA VAL 58 far 0 95 0 - 5.3-5.4 QD2 LEU 57 - HA VAL 58 far 0 96 0 - 5.6-6.0 QG2 ILE 7 - HA VAL 58 far 0 98 0 - 6.0-6.3 QD2 LEU 38 - HA VAL 58 far 0 98 0 - 6.1-6.5 QG2 VAL 32 - HA VAL 58 far 0 91 0 - 7.0-7.5 QG2 ILE 15 - HA VAL 58 far 0 100 0 - 8.4-9.2 QD1 LEU 70 - HA VAL 58 far 0 100 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 10704 from cnoeabs.peaks (2.51, 0.72, 21.78 ppm; 4.99 A): 1 out of 3 assignments used, quality = 0.99: HG3 GLU 63 + QG1 VAL 58 OK 99 99 100 100 4.5-4.7 3.0/10225=89...(21) HB2 ASP 61 - QG1 VAL 58 far 0 100 0 - 7.7-8.0 HG3 GLN 72 - QG1 VAL 58 far 0 77 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 10705 from cnoeabs.peaks (5.38, 0.68, 19.32 ppm; 4.52 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 57 + QG2 VAL 58 OK 99 99 100 100 3.9-4.1 6945/6953=87...(14) 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 3.5-3.7 6945/6954=81...(12) 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 4.1-4.2 9422=100, 6967/6958=87...(11) H LEU 64 - HA VAL 58 far 0 98 0 - 6.1-6.3 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 2.4-2.7 9410=100, 9420/2.1=85...(15) H LEU 64 + HB VAL 58 OK 99 100 100 100 3.8-4.1 7040/2.1=72, 10237=58...(13) H MET 74 + HG3 MET 74 OK 53 53 100 100 3.1-4.0 7228/1.8=71, 7229=69...(16) H VAL 78 - HG3 MET 74 far 0 44 0 - 9.2-11.1 H SER 85 - HB VAL 58 far 0 65 0 - 9.4-9.7 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 3.1-3.5 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 4.0-4.4 9755=99, 3.0/10228=89...(17) 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 5.7-6.3 9755/2.1=99, 3.0/9386=88...(6) H ARG 81 + QG1 VAL 58 OK 59 59 100 99 4.0-4.5 4.2/10223=91...(9) 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 3.8-4.1 3.0/10706=85...(13) 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 3.8-4.5 3.0/10225=81...(20) HG2 GLU 62 - QG1 VAL 58 far 0 96 0 - 7.1-8.6 HD3 ARG 81 - QG1 VAL 58 far 0 77 0 - 7.5-8.9 HG3 GLU 62 - QG1 VAL 58 far 0 96 0 - 7.8-8.6 HG2 GLU 37 - QG1 VAL 58 far 0 92 0 - 9.7-11.4 HB2 TYR 41 - QG1 VAL 58 far 0 65 0 - 9.9-10.5 Violated in 0 structures by 0.00 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 4.4-5.0 3.0/9380=95...(19) HD3 ARG 81 - QG2 VAL 58 far 0 98 0 - 6.3-7.9 HG2 GLU 62 - QG2 VAL 58 far 0 71 0 - 7.1-8.1 HG3 GLU 62 - QG2 VAL 58 far 0 71 0 - 7.4-8.1 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 3.2-4.4 3.0/9375=88...(18) HG3 GLU 43 - HG3 MET 74 far 4 37 10 - 5.0-8.1 HG2 GLU 62 - HB VAL 58 far 0 87 0 - 8.3-9.5 HG3 GLU 62 - HB VAL 58 far 0 87 0 - 9.0-9.5 HD3 ARG 81 - HB VAL 58 far 0 91 0 - 9.8-11.7 HB2 TYR 41 - HG3 MET 74 far 0 47 0 - 9.8-12.4 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 4.6-4.7 7021/10225=81...(15) H GLU 62 - QG1 VAL 58 far 0 96 0 - 6.6-6.7 H THR 80 - QG1 VAL 58 far 0 82 0 - 6.8-7.2 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 2.6-3.2 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 3.9-4.2 7343/10721=76...(10) Violated in 0 structures by 0.00 A. Peak 10726 from cnoeabs.peaks (0.70, 5.06, 59.32 ppm; 3.91 A): 1 out of 7 assignments used, quality = 0.79: QG2 VAL 58 + HA SER 59 OK 79 79 100 100 3.4-3.7 9420/3.6=61, 6960/3.0=51...(18) QD1 LEU 14 - HA SER 59 far 0 82 0 - 4.8-5.3 QD2 LEU 14 - HA SER 59 far 0 100 0 - 5.3-5.7 QG1 VAL 58 - HA SER 59 far 0 96 0 - 5.5-5.5 QD1 LEU 64 - HA SER 59 far 0 63 0 - 6.4-6.8 HG3 ARG 81 - HA SER 59 far 0 68 0 - 6.9-10.8 QD1 ILE 8 - HA SER 59 far 0 100 0 - 7.1-7.4 Violated in 0 structures by 0.00 A. Peak 10727 from cnoeabs.peaks (1.12, 5.06, 59.32 ppm; 4.60 A): 1 out of 1 assignment used, quality = 0.95: HG3 LYS 82 + HA SER 59 OK 95 96 100 100 3.1-3.8 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 3.3-3.8 7354/10721=56, 9784=40...(9) QG1 VAL 83 - HA SER 59 far 0 73 0 - 5.3-5.6 QG2 THR 80 - HA SER 59 far 0 100 0 - 7.7-8.5 Violated in 0 structures by 0.00 A. Peak 10736 from cnoeabs.peaks (7.94, 4.37, 57.35 ppm; 4.35 A): 1 out of 1 assignment used, quality = 0.89: H ASP 65 + HA ASP 61 OK 89 90 100 100 4.1-4.3 7049/9449=64...(10) Violated in 0 structures by 0.00 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 5.4-5.8 9470/3.0=93...(9) H LEU 64 + HB2 ASP 65 OK 75 75 100 100 4.2-4.4 10238=98, 7047/7055=90...(11) H ASN 60 - HB3 ASP 61 far 0 100 0 - 6.4-6.7 H ASN 60 - HB2 ASP 65 far 0 75 0 - 8.3-8.6 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 4.0-4.1 7028=100, 7024/3.6=83...(8) H ASN 60 - HA GLU 62 far 0 99 0 - 7.2-7.3 Violated in 0 structures by 0.00 A. Peak 10743 from cnoeabs.peaks (4.35, 4.12, 59.59 ppm; 4.83 A increased from 4.54 A): 1 out of 2 assignments used, quality = 0.97: HA ASP 61 + HA GLU 62 OK 97 97 100 100 4.8-4.8 9470/7028=55...(12) HA ASP 65 - HA GLU 62 far 0 61 0 - 5.2-5.4 Violated in 0 structures by 0.00 A. Peak 10744 from cnoeabs.peaks (0.78, 2.20, 29.93 ppm; 4.76 A): 1 out of 9 assignments used, quality = 1.00: QG2 ILE 8 + HB2 GLU 63 OK 100 100 100 100 2.5-3.0 10425/3.0=74, 8309=65...(16) QD2 LEU 38 - HB2 GLU 63 far 0 57 0 - 5.5-6.2 QD1 LEU 70 - HB2 GLU 63 far 0 71 0 - 6.8-7.3 QD2 LEU 57 - HB2 GLU 63 far 0 98 0 - 7.9-8.3 QG2 ILE 7 - HB2 GLU 63 far 0 96 0 - 8.3-8.6 QD1 LEU 6 - HB2 GLU 63 far 0 98 0 - 8.5-8.9 QD1 ILE 15 - HB2 GLU 63 far 0 88 0 - 9.2-10.4 QD2 LEU 70 - HB2 GLU 63 far 0 85 0 - 9.2-9.9 QG1 VAL 54 - HB2 GLU 63 far 0 91 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 10745 from cnoeabs.peaks (0.80, 3.91, 58.27 ppm; 4.52 A increased from 4.26 A): 1 out of 8 assignments used, quality = 0.95: QG2 ILE 8 + HA GLU 63 OK 95 97 100 98 4.2-4.3 10746/3.0=62...(10) QD1 LEU 70 - HA GLU 63 far 0 96 0 - 5.6-6.0 QD2 LEU 38 - HA GLU 63 far 0 90 0 - 6.0-6.8 QD2 LEU 70 - HA GLU 63 far 0 100 0 - 7.7-8.4 QG2 VAL 32 - HA GLU 63 far 0 75 0 - 7.8-8.4 QD1 LEU 6 - HA GLU 63 far 0 77 0 - 9.2-9.6 QD2 LEU 57 - HA GLU 63 far 0 100 0 - 9.6-10.1 QD1 LEU 57 - HA GLU 63 far 0 82 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 10746 from cnoeabs.peaks (0.81, 1.78, 29.93 ppm; 4.56 A): 1 out of 8 assignments used, quality = 0.88: QG2 ILE 8 + HB3 GLU 63 OK 88 88 100 100 3.7-4.3 10745/3.0=64...(16) QD2 LEU 38 - HB3 GLU 63 far 0 98 0 - 7.0-7.6 QD1 LEU 70 - HB3 GLU 63 far 0 100 0 - 7.9-8.3 QD1 LEU 57 - HB3 GLU 63 far 0 94 0 - 8.2-8.6 QD2 LEU 57 - HB3 GLU 63 far 0 97 0 - 8.3-9.1 QG2 VAL 32 - HB3 GLU 63 far 0 90 0 - 8.5-9.1 QG2 ILE 7 - HB3 GLU 63 far 0 99 0 - 9.3-9.6 QD1 LEU 6 - HB3 GLU 63 far 0 59 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 10747 from cnoeabs.peaks (1.50, 1.78, 29.93 ppm; 4.89 A increased from 4.60 A): 1 out of 6 assignments used, quality = 0.99: HB3 LEU 64 + HB3 GLU 63 OK 99 100 100 100 4.4-4.7 7037/7032=77...(11) HD2 LYS 82 - HB3 GLU 63 far 0 61 0 - 5.5-6.7 HG2 LYS 66 - HB3 GLU 63 far 0 100 0 - 6.4-7.5 HG LEU 64 - HB3 GLU 63 far 0 95 0 - 6.7-7.0 HG3 LYS 66 - HB3 GLU 63 far 0 100 0 - 6.8-7.7 HG LEU 38 - HB3 GLU 63 far 0 61 0 - 7.9-8.6 Violated in 0 structures by 0.00 A. Peak 10748 from cnoeabs.peaks (1.34, 1.78, 29.93 ppm; 5.51 A increased from 5.18 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 67 + HB3 GLU 63 OK 100 100 100 100 4.9-5.3 9469/7032=68...(10) HB2 LYS 82 - HB3 GLU 63 far 0 100 0 - 6.4-7.1 HG12 ILE 8 - HB3 GLU 63 far 0 91 0 - 6.7-7.2 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 3.9-4.2 7080=99, 7077/2769=74...(11) H VAL 32 - HA GLU 63 far 0 99 0 - 9.9-10.6 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 4.6-4.9 7046=99, 7047/3.6=93...(10) H GLU 69 - HA GLU 63 far 0 84 0 - 7.6-7.9 H LEU 70 - HA GLU 63 far 0 73 0 - 8.1-8.4 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 3.1-3.4 9399=91, 9401/1.8=85...(10) H ILE 8 - HB3 GLU 63 far 0 94 0 - 7.1-7.5 Violated in 0 structures by 0.00 A. Peak 10753 from cnoeabs.peaks (8.80, 2.20, 29.93 ppm; 5.31 A): 1 out of 2 assignments used, quality = 1.00: H SER 59 + HB2 GLU 63 OK 100 100 100 100 3.6-3.9 9401=100, 9399/1.8=95...(9) H ILE 8 - HB2 GLU 63 far 0 100 0 - 6.1-6.5 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 4.3-4.6 7306/9724=95...(5) H GLU 63 - QD1 LEU 64 far 0 73 0 - 6.5-6.6 H GLU 62 - QD1 LEU 64 far 0 99 0 - 7.1-7.3 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 = 1.00: H VAL 58 + QD1 LEU 64 OK 100 100 100 100 3.8-4.1 10926/7318=82...(11) H ASP 61 - QD1 LEU 64 far 0 73 0 - 6.8-7.1 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 3.4-3.7 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): 2 out of 3 assignments used, quality = 0.99: HB2 ASP 65 + HB2 LEU 64 OK 99 99 100 100 4.1-4.3 7055/7049=93...(19) HB3 ASP 61 + HB2 LEU 64 OK 32 81 40 100 5.1-5.7 3.0/9449=90, ~9481=60...(12) HE2 LYS 82 - HB2 LEU 64 far 0 70 0 - 5.8-6.7 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 4 assignments used, quality = 1.00: HB2 LYS 82 + HB3 LEU 64 OK 99 99 100 100 3.0-3.6 10252/3.1=74, ~9758=43...(18) QB ALA 67 + HB3 LEU 64 OK 97 97 100 100 4.3-4.7 2981/3.0=72...(17) HG3 LYS 68 - HB3 LEU 64 far 0 100 0 - 7.6-7.9 HG12 ILE 8 - HB3 LEU 64 far 0 98 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 10759 from cnoeabs.peaks (1.77, 3.75, 58.94 ppm; 5.01 A): 2 out of 5 assignments used, quality = 1.00: HB3 GLU 63 + HA LEU 64 OK 100 100 100 100 4.4-4.6 7032/3.0=82...(10) HB ILE 56 + HA LEU 64 OK 64 99 70 93 5.1-5.4 9328/9476=66...(4) HB2 LYS 66 - HA LEU 64 far 0 100 0 - 6.9-7.2 HB3 LYS 82 - HA LEU 64 far 0 99 0 - 7.0-7.5 HB VAL 78 - HA LEU 64 far 0 99 0 - 9.0-10.1 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 4.3-5.1 10762/3.1=96...(21) QG2 VAL 83 - HB2 LEU 64 far 0 99 0 - 7.9-8.4 QG1 VAL 83 - HB2 LEU 64 far 0 63 0 - 8.5-9.0 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 3.5-4.4 9476/3.0=94...(22) QG2 VAL 83 - HB3 LEU 64 far 0 100 0 - 6.4-7.0 HB2 ARG 81 - HB3 LEU 64 far 0 73 0 - 6.8-7.9 HG LEU 55 - HB3 LEU 64 far 0 100 0 - 10.0-10.5 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 1.8-2.9 2.1/9724=62, 9733=46...(29) QG2 VAL 83 - QD1 LEU 64 far 0 93 0 - 5.5-6.0 QG1 VAL 83 - QD1 LEU 64 far 0 81 0 - 5.5-5.9 HG LEU 55 - QD1 LEU 64 far 0 94 0 - 7.0-7.6 QG2 VAL 5 - QD1 LEU 64 far 0 65 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 10763 from cnoeabs.peaks (2.10, 2.64, 40.20 ppm; 4.88 A): 2 out of 8 assignments used, quality = 0.93: HB2 GLU 69 + HB3 ASP 65 OK 74 88 100 84 4.5-4.9 4.0/9538=45...(8) HG2 GLU 69 + HB3 ASP 65 OK 72 88 100 81 3.4-4.3 3110/9538=41...(8) HB2 LEU 64 - HB3 ASP 65 far 0 99 0 - 5.5-5.8 HB3 GLU 62 - HB3 ASP 65 far 0 96 0 - 5.7-6.6 HB3 GLU 69 - HB3 ASP 65 far 0 88 0 - 5.8-6.2 HG3 GLU 104 - HB3 ASP 77 far 0 99 0 - 5.9-20.2 HB2 GLU 75 - HB3 ASP 77 far 0 71 0 - 7.2-7.9 HB3 GLU 35 - HB3 ASP 65 far 0 88 0 - 8.8-10.0 Violated in 0 structures by 0.00 A. Peak 10765 from cnoeabs.peaks (3.77, 4.31, 57.27 ppm; 5.28 A): 1 out of 2 assignments used, quality = 0.94: HA LEU 64 + HA ASP 65 OK 94 94 100 100 4.8-4.8 4.0/9503=73...(20) HA LYS 68 - HA ASP 65 far 0 63 0 - 5.7-6.0 Violated in 0 structures by 0.00 A. Peak 10770 from cnoeabs.peaks (4.43, 2.64, 40.20 ppm; 4.49 A): 1 out of 4 assignments used, quality = 0.98: HA ILE 76 + HB3 ASP 77 OK 98 99 100 99 4.1-4.7 7262/7270=76...(11) HA GLN 50 - HB3 ASP 77 far 0 73 0 - 7.0-8.9 HA HIS 106 - HB3 ASP 77 far 0 87 0 - 9.0-24.1 HA GLU 48 - HB3 ASP 77 far 0 99 0 - 9.4-10.7 Violated in 1 structures by 0.01 A. Peak 10771 from cnoeabs.peaks (8.78, 2.63, 40.23 ppm; 5.07 A): 0 out of 0 assignments used, quality = 0.00: Peak 10772 from cnoeabs.peaks (8.48, 4.31, 57.27 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: H ALA 67 + HA ASP 65 OK 100 100 100 100 4.2-4.4 7077/3.6=90...(14) 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 4 assignments used, quality = 1.00: H LYS 68 + HA LYS 66 OK 100 100 100 100 4.6-4.8 7102=88, 7103/3.6=82...(10) H GLU 43 - HA ARG 46 far 0 87 0 - 6.9-7.2 H HIS 106 - HA LYS 24 far 0 36 0 - 9.5-32.1 H ASP 36 - HA LYS 66 far 0 100 0 - 9.6-10.8 Violated in 1 structures by 0.00 A. Peak 10776 from cnoeabs.peaks (7.92, 1.77, 31.73 ppm; 5.62 A increased from 5.29 A): 1 out of 3 assignments used, quality = 0.94: H GLU 69 + HB2 LYS 66 OK 94 96 100 99 5.3-5.6 7119/3.0=90...(6) H ASP 65 - HB2 LYS 66 far 0 100 0 - 6.2-6.4 H GLN 72 - HB2 LYS 66 far 0 99 0 - 8.5-8.8 Violated in 0 structures by 0.00 A. Peak 10777 from cnoeabs.peaks (7.93, 1.86, 31.73 ppm; 5.04 A): 1 out of 4 assignments used, quality = 0.98: H ASP 65 + HB3 LYS 66 OK 98 98 100 100 4.7-5.0 7064/7070=93, 9492=76...(9) H LEU 70 - HB3 LYS 66 far 0 81 0 - 5.4-5.7 H GLU 69 - HB3 LYS 66 far 0 77 0 - 5.4-5.7 H GLN 72 - HB3 LYS 66 far 0 87 0 - 9.1-9.4 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 6 assignments used, quality = 0.90: H ASP 65 + HG2 LYS 66 OK 90 91 100 99 4.3-5.0 7064/7072=85...(9) H ASP 65 - HG3 LYS 66 far 0 91 0 - 5.9-6.4 H GLU 69 - HG2 LYS 66 far 0 59 0 - 6.0-6.2 H LEU 70 - HG2 LYS 66 far 0 93 0 - 6.1-6.7 H LEU 70 - HG3 LYS 66 far 0 93 0 - 6.5-7.0 H GLU 69 - HG3 LYS 66 far 0 59 0 - 7.0-7.2 Violated in 0 structures by 0.00 A. Peak 10779 from cnoeabs.peaks (8.49, 2.64, 40.20 ppm; 4.91 A): 1 out of 5 assignments used, quality = 0.97: H ALA 67 + HB3 ASP 65 OK 97 97 100 100 4.7-5.0 7077/7067=85...(12) H VAL 54 - HB3 ASP 77 far 0 99 0 - 5.2-6.2 H LYS 53 - HB3 ASP 77 far 0 80 0 - 6.5-7.4 H ARG 79 - HB3 ASP 77 far 0 99 0 - 7.2-7.8 H LEU 2 - HB3 ASP 77 far 0 94 0 - 9.1-10.3 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 0 assignments used, quality = 0.00: Peak 10782 from cnoeabs.peaks (0.81, 1.70, 27.82 ppm; 4.99 A increased from 4.70 A): 2 out of 4 assignments used, quality = 0.97: QD1 LEU 70 + HD3 LYS 66 OK 96 100 100 96 3.9-4.9 9506/7074=51...(11) QD2 LEU 70 + HD3 LYS 66 OK 37 100 60 63 4.4-6.0 9514/2943=31, ~12319=17...(7) QD2 LEU 38 - HD3 LYS 66 far 0 99 0 - 8.5-9.4 QG2 ILE 8 - HD3 LYS 66 far 0 82 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 10783 from cnoeabs.peaks (1.75, 1.34, 17.79 ppm; 3.89 A): 1 out of 7 assignments used, quality = 0.97: HB ILE 56 + QB ALA 67 OK 97 97 100 100 2.7-3.1 2.1/9528=83...(19) HB2 LYS 66 - QB ALA 67 far 0 95 0 - 4.7-5.0 HB3 GLU 63 - QB ALA 67 far 0 79 0 - 4.9-5.3 HB VAL 78 - QB ALA 67 far 0 75 0 - 5.5-6.2 HB3 LEU 70 - QB ALA 67 far 0 70 0 - 5.9-6.4 HB3 LYS 82 - QB ALA 67 far 0 96 0 - 8.2-8.7 HD2 ARG 81 - QB ALA 67 far 0 87 0 - 8.4-10.1 Violated in 0 structures by 0.00 A. Peak 10784 from cnoeabs.peaks (1.86, 1.34, 17.79 ppm; 4.12 A): 2 out of 8 assignments used, quality = 1.00: HB3 LYS 66 + QB ALA 67 OK 99 100 100 99 4.0-4.2 7087/2.9=70...(10) HB3 LYS 68 + QB ALA 67 OK 92 98 100 94 3.8-4.0 7108/2985=73...(9) HB ILE 8 - QB ALA 67 far 0 65 0 - 5.0-5.5 HB2 LYS 68 - QB ALA 67 far 0 91 0 - 5.0-5.1 HG LEU 42 - QB ALA 67 far 0 63 0 - 6.1-6.7 HB VAL 54 - QB ALA 67 far 0 84 0 - 6.7-7.3 HB3 LEU 57 - QB ALA 67 far 0 68 0 - 7.0-7.2 HB3 LYS 39 - QB ALA 67 far 0 100 0 - 7.4-9.2 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 4.5-4.7 9490=84, 3.6/2981=76...(16) H GLU 69 + QB ALA 67 OK 83 84 100 99 4.3-4.4 7115/2985=73...(10) H LEU 70 + QB ALA 67 OK 64 73 100 87 4.8-5.1 7140/2.1=57...(5) H GLN 72 - QB ALA 67 far 0 92 0 - 6.3-6.6 H LEU 42 - QB ALA 67 far 0 70 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 10787 from cnoeabs.peaks (3.67, 1.34, 17.35 ppm; 4.01 A): 1 out of 3 assignments used, quality = 0.99: HA LYS 90 + QB ALA 89 OK 99 100 100 99 3.6-3.8 3.0/7415=75...(9) HA LEU 14 - QB ALA 89 far 0 96 0 - 4.5-4.9 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 = 0.98: HB THR 80 + HG2 LYS 68 OK 98 99 100 100 4.5-5.0 2.1/10256=88, ~12321=57...(20) HA LEU 42 - HG3 LYS 47 far 0 58 0 - 7.2-9.2 Violated in 1 structures by 0.00 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 2.5-3.9 3.9=100 HA GLU 62 - HG2 LYS 68 far 0 82 0 - 7.1-7.3 HA GLN 72 - HG2 LYS 68 far 0 100 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 10791 from cnoeabs.peaks (4.17, 3.81, 59.98 ppm; 5.93 A increased from 5.27 A): 1 out of 3 assignments used, quality = 0.95: HA GLN 72 + HA LYS 68 OK 95 97 100 98 5.7-5.9 3186/12325=57...(6) HA GLU 23 - HA ARG 19 far 9 91 10 - 6.0-6.9 HA LYS 73 - HA LYS 68 far 0 100 0 - 8.9-9.3 Violated in 0 structures by 0.00 A. Peak 10792 from cnoeabs.peaks (4.00, 1.35, 25.26 ppm; 5.81 A): 2 out of 4 assignments used, quality = 1.00: HA GLU 69 + HG3 LYS 68 OK 100 100 100 100 3.2-3.5 10794/1.8=98...(21) HA LEU 70 + HG2 LYS 39 OK 30 58 75 70 4.9-6.9 3130/10569=37...(5) HA LEU 70 - HG3 LYS 68 far 0 94 0 - 7.2-7.6 HA GLU 69 - HG2 LYS 39 far 0 66 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 10793 from cnoeabs.peaks (1.86, 4.00, 59.02 ppm; 4.69 A increased from 4.42 A): 1 out of 5 assignments used, quality = 0.91: HB2 LYS 68 + HA GLU 69 OK 91 91 100 100 4.5-4.7 3008/3.0=67...(21) HB3 LYS 68 - HA GLU 69 far 0 98 0 - 5.6-5.7 HB3 LYS 66 - HA GLU 69 far 0 100 0 - 7.7-8.0 HB3 LYS 90 - HA GLU 95 far 0 26 0 - 9.4-10.1 HB3 LYS 39 - HA GLU 69 far 0 100 0 - 9.5-12.4 Violated in 1 structures by 0.00 A. Peak 10794 from cnoeabs.peaks (1.67, 4.00, 59.02 ppm; 4.74 A increased from 4.46 A): 1 out of 10 assignments used, quality = 0.79: HG2 LYS 68 + HA GLU 69 OK 79 79 100 100 4.5-4.8 7128/3.0=75...(18) HD2 LYS 68 - HA GLU 69 far 9 93 10 - 4.9-6.3 HD3 LYS 68 - HA GLU 69 far 0 92 0 - 5.2-6.5 HD2 LYS 73 - HA GLU 69 far 0 100 0 - 5.3-8.2 HG LEU 70 - HA GLU 69 far 0 82 0 - 5.4-5.8 HD3 LYS 73 - HA GLU 69 far 0 100 0 - 5.5-8.1 HD3 LYS 66 - HA GLU 69 far 0 77 0 - 6.3-6.8 HB3 ARG 91 - HA GLU 95 far 0 34 0 - 7.6-8.3 HB ILE 76 - HA GLU 69 far 0 82 0 - 8.6-9.3 HD2 LYS 39 - HA GLU 69 far 0 95 0 - 9.0-12.5 Violated in 1 structures by 0.00 A. Peak 10795 from cnoeabs.peaks (1.36, 4.00, 59.02 ppm; 5.09 A): 3 out of 8 assignments used, quality = 0.99: HG3 LYS 68 + HA GLU 69 OK 99 99 100 100 3.2-3.5 1.8/10794=88...(21) HG3 LYS 94 + HA GLU 95 OK 29 29 100 100 3.2-4.8 7533/3.0=69, ~7532=59...(15) HG2 LYS 94 + HA GLU 95 OK 29 29 100 100 3.2-4.5 7532/3.0=73, ~7533=56...(13) HB2 LEU 70 - HA GLU 69 far 0 99 0 - 5.7-5.8 QB ALA 67 - HA GLU 69 far 0 88 0 - 6.5-6.6 QB ALA 25 - HA GLU 95 far 0 29 0 - 6.5-7.1 HG2 LYS 39 - HA GLU 69 far 0 96 0 - 9.5-11.5 QB ALA 89 - HA GLU 95 far 0 29 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 10797 from cnoeabs.peaks (1.69, 2.13, 35.75 ppm; 4.69 A increased from 4.16 A): 3 out of 15 assignments used, quality = 0.89: HD3 LYS 47 + HG2 GLU 44 OK 62 100 65 96 3.9-7.1 10187/1.8=63, ~10186=43...(8) HD3 LYS 66 + HG2 GLU 69 OK 62 85 95 76 3.8-5.3 10802/3.0=28...(13) HD2 LYS 68 + HG2 GLU 69 OK 23 61 40 94 4.0-6.1 3.0/10799=54, ~12281=51...(15) HD3 LYS 68 - HG2 GLU 69 poor 20 59 35 94 4.0-6.2 3.0/10799=54, ~12281=51...(15) HD2 LYS 47 - HG2 GLU 44 far 10 100 10 - 4.3-7.6 HG LEU 70 - HG2 GLU 69 far 0 88 0 - 5.5-6.3 HD2 LYS 73 - HG2 GLU 69 far 0 83 0 - 6.6-10.2 HD3 LYS 73 - HG2 GLU 69 far 0 81 0 - 6.8-10.4 HB ILE 52 - HG2 GLU 44 far 0 96 0 - 7.5-8.9 HB3 LEU 70 - HG2 GLU 69 far 0 66 0 - 8.0-8.2 HB2 LEU 2 - HG2 GLU 44 far 0 96 0 - 8.1-9.6 HB3 ARG 79 - HG2 GLU 104 far 0 66 0 - 8.3-23.3 HB2 LYS 40 - HG2 GLU 44 far 0 59 0 - 9.3-10.6 HB3 LYS 53 - HG2 GLU 104 far 0 94 0 - 9.4-17.8 HB3 LYS 40 - HG2 GLU 44 far 0 100 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 10798 from cnoeabs.peaks (1.49, 2.13, 35.75 ppm; 5.55 A increased from 4.93 A): 3 out of 17 assignments used, quality = 1.00: HG2 LYS 47 + HG2 GLU 44 OK 99 100 100 99 4.2-5.8 12088/4.0=80...(9) HG2 LYS 66 + HG2 GLU 69 OK 52 92 65 87 5.1-6.2 7071/12286=34...(11) HB3 LEU 103 + HG2 GLU 104 OK 27 59 70 65 3.6-7.7 4.3/4535=65 HG3 LYS 66 - HG2 GLU 69 far 0 92 0 - 6.1-7.4 HG2 LYS 73 - HG2 GLU 69 far 0 92 0 - 6.1-7.6 HG LEU 64 - HG2 GLU 69 far 0 91 0 - 6.6-7.4 HG13 ILE 52 - HG2 GLU 44 far 0 75 0 - 6.9-8.2 HD2 LYS 53 - HG2 GLU 104 far 0 70 0 - 6.9-15.9 HG2 LYS 53 - HG2 GLU 104 far 0 76 0 - 8.2-17.4 HD3 LYS 40 - HG2 GLU 44 far 0 88 0 - 8.5-10.4 HG LEU 6 - HG2 GLU 44 far 0 63 0 - 8.6-9.3 HB3 LEU 64 - HG2 GLU 69 far 0 93 0 - 8.9-9.4 HG3 LYS 53 - HG2 GLU 104 far 0 83 0 - 9.1-16.8 HG LEU 38 - HG2 GLU 69 far 0 68 0 - 9.4-10.1 HD2 LYS 40 - HG2 GLU 44 far 0 87 0 - 9.7-11.1 HG LEU 2 - HG2 GLU 44 far 0 82 0 - 9.7-11.0 HB2 LEU 38 - HG2 GLU 69 far 0 61 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 10799 from cnoeabs.peaks (1.35, 2.13, 35.75 ppm; 5.37 A): 1 out of 6 assignments used, quality = 0.90: HG3 LYS 68 + HG2 GLU 69 OK 90 91 100 99 2.8-4.0 7127/3110=72...(12) QB ALA 67 - HG2 GLU 69 far 0 82 0 - 6.3-6.7 HB2 LEU 70 - HG2 GLU 69 far 0 88 0 - 6.8-7.2 HG3 LYS 40 - HG2 GLU 44 far 0 100 0 - 7.2-8.9 HB3 LEU 2 - HG2 GLU 44 far 0 88 0 - 7.7-9.1 HB3 ARG 30 - HG2 GLU 44 far 0 96 0 - 8.0-8.7 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 10 assignments used, quality = 1.00: HG3 LYS 68 + HB2 GLU 69 OK 99 100 100 99 3.9-4.3 7127/3095=77...(10) HB2 LEU 70 + HB2 GLU 69 OK 74 88 85 98 4.6-5.0 10277=68, 7150/4.6=51...(12) HG3 LYS 68 + HB3 GLU 69 OK 54 100 55 97 4.9-5.1 7127/4.0=63...(8) HB2 LEU 70 - HB3 GLU 69 far 0 88 0 - 5.2-5.5 QB ALA 67 - HB2 GLU 69 far 0 99 0 - 5.5-5.7 QB ALA 25 - HB3 GLU 23 far 0 61 0 - 6.2-6.4 QB ALA 67 - HB3 GLU 69 far 0 99 0 - 6.8-7.0 HG2 LYS 39 - HB3 GLU 69 far 0 100 0 - 8.7-10.7 HG2 LYS 39 - HB2 GLU 69 far 0 100 0 - 9.0-11.0 HB3 LEU 27 - HB3 GLU 23 far 0 62 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 10802 from cnoeabs.peaks (1.69, 2.13, 29.27 ppm; 3.76 A increased from 3.54 A): 3 out of 21 assignments used, quality = 0.98: HG LEU 70 + HB2 GLU 69 OK 86 99 100 86 3.4-3.9 7152/4.6=41...(9) HD3 LYS 66 + HB2 GLU 69 OK 73 99 100 74 3.4-3.8 2942/2883=44...(11) HG LEU 70 + HB3 GLU 69 OK 53 99 65 83 3.8-4.3 7152/4.6=41, ~10277=27...(9) HD2 LYS 24 - HB3 GLU 23 poor 18 61 30 - 2.7-7.1 HD3 LYS 24 - HB3 GLU 23 far 6 61 10 - 3.9-7.9 HD2 LYS 73 - HB3 GLU 69 far 0 88 0 - 4.1-7.5 HD3 LYS 66 - HB3 GLU 69 far 0 99 0 - 4.1-4.7 HD3 LYS 73 - HB3 GLU 69 far 0 85 0 - 4.2-7.6 HD3 LYS 20 - HB3 GLU 23 far 0 55 0 - 5.3-8.3 HD3 LYS 68 - HB2 GLU 69 far 0 59 0 - 5.7-6.8 HG3 LYS 20 - HB3 GLU 23 far 0 55 0 - 5.7-7.1 HD2 LYS 68 - HB2 GLU 69 far 0 61 0 - 5.8-6.7 HB3 LEU 70 - HB2 GLU 69 far 0 85 0 - 5.8-6.0 HD2 LYS 73 - HB2 GLU 69 far 0 88 0 - 5.8-8.5 HB3 LEU 70 - HB3 GLU 69 far 0 85 0 - 5.8-6.2 HD3 LYS 73 - HB2 GLU 69 far 0 85 0 - 5.9-8.9 HD3 LYS 68 - HB3 GLU 69 far 0 59 0 - 6.7-7.9 HD2 LYS 68 - HB3 GLU 69 far 0 61 0 - 6.8-7.8 HD2 LYS 20 - HB3 GLU 23 far 0 57 0 - 7.0-8.3 HD2 LYS 39 - HB3 GLU 69 far 0 65 0 - 7.6-11.4 HD2 LYS 39 - HB2 GLU 69 far 0 65 0 - 8.2-11.4 Violated in 0 structures by 0.00 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 1.9-4.6 9571=98, 1.7/9570=87...(12) HE3 TRP 92 - HA GLU 95 far 0 30 0 - 6.3-6.8 H ARG 91 - HA GLU 95 far 0 29 0 - 8.3-8.8 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 3.3-5.2 9570=99, 1.7/9571=98...(10) HD1 TRP 92 - HA GLU 95 far 0 27 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 10806 from cnoeabs.peaks (8.26, 4.00, 59.02 ppm; 5.17 A increased from 4.87 A): 2 out of 3 assignments used, quality = 1.00: H ALA 71 + HA GLU 69 OK 100 100 100 100 4.5-5.0 7157/3.6=90...(10) H LYS 94 + HA GLU 95 OK 36 36 100 100 5.2-5.3 7528/3.0=95, 7522/3.6=79...(8) H LEU 103 - HA GLU 95 far 0 27 0 - 8.9-15.0 Violated in 0 structures by 0.00 A. Peak 10807 from cnoeabs.peaks (8.54, 2.34, 35.91 ppm; 5.84 A): 2 out of 4 assignments used, quality = 0.87: H GLN 50 + HG2 GLU 48 OK 77 88 90 97 4.8-6.2 10630/3.0=62...(9) H ASN 51 + HG2 GLU 48 OK 45 93 65 75 4.9-6.5 11027/1.8=30...(7) H LYS 12 - HG2 GLU 16 lone 2 79 35 8 6.0-7.7 4.7/10186=5, 6.2/10187=1 H LEU 2 - HG2 GLU 48 far 0 73 0 - 7.0-8.4 Violated in 0 structures by 0.00 A. Peak 10808 from cnoeabs.peaks (7.87, 1.37, 41.70 ppm; 5.50 A): 3 out of 3 assignments used, quality = 0.97: H GLU 69 + HB2 LEU 70 OK 76 77 100 99 4.5-5.0 4.6/3133=78...(6) H LYS 73 + HB2 LEU 70 OK 71 71 100 99 5.3-5.8 10810/3.0=77...(7) H GLN 72 + HB2 LEU 70 OK 62 65 100 95 4.6-5.1 4.6/7159=84, 4.6/9576=48...(4) Violated in 0 structures by 0.00 A. Peak 10809 from cnoeabs.peaks (7.87, 1.72, 41.70 ppm; 5.72 A): 1 out of 2 assignments used, quality = 0.87: H LYS 73 + HB3 LEU 70 OK 87 87 100 100 5.0-5.7 10810/3.0=90...(7) H GLU 69 - HB3 LEU 70 far 0 59 0 - 6.0-6.3 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 1 assignment used, quality = 0.96: H LYS 73 + HA LEU 70 OK 96 96 100 100 3.3-3.7 9578=72, 7207/10813=45...(15) 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 6 assignments used, quality = 0.98: H LYS 39 + QD1 LEU 70 OK 95 96 100 99 3.2-4.2 6601=52, ~10822=52...(16) H LYS 39 + QD2 LEU 38 OK 60 60 100 100 4.6-4.7 6602/2.1=89, 6598/3.1=86...(8) H LYS 90 - QD2 LEU 57 far 0 50 0 - 6.9-7.6 H GLU 75 - QD1 LEU 70 far 0 99 0 - 8.8-9.3 H ILE 15 - QD2 LEU 57 far 0 60 0 - 9.6-10.8 H GLU 17 - QD2 LEU 57 far 0 61 0 - 9.9-11.3 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 5 assignments used, quality = 0.99: HG2 LYS 73 + HA LEU 70 OK 99 100 100 99 2.2-2.9 10395/3130=68...(14) HB2 LEU 38 - HA LEU 70 far 0 63 0 - 6.5-8.8 HG LEU 38 - HA LEU 70 far 0 71 0 - 7.2-7.9 HG2 LYS 66 - HA LEU 70 far 0 100 0 - 8.1-8.9 HG3 LYS 66 - HA LEU 70 far 0 100 0 - 8.1-8.7 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 4.4-5.0 9543/3.0=89, 9544/3.0=87...(11) QD1 ILE 56 - HA LEU 70 far 0 98 0 - 6.6-7.0 QG2 VAL 78 - HA LEU 70 far 0 82 0 - 6.9-7.2 QD1 ILE 8 - HA LEU 70 far 0 96 0 - 8.9-9.3 QG1 VAL 58 - HA LEU 70 far 0 84 0 - 9.7-10.0 HG13 ILE 56 - HA LEU 70 far 0 92 0 - 9.9-10.3 QG2 VAL 54 - HA LEU 70 far 0 57 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 10815 from cnoeabs.peaks (1.96, 4.02, 57.49 ppm; 4.23 A increased from 3.76 A): 2 out of 4 assignments used, quality = 0.99: HB2 LYS 73 + HA LEU 70 OK 97 100 100 97 2.7-4.1 7206/10810=59...(12) HB3 LYS 73 + HA LEU 70 OK 53 100 55 96 4.2-5.2 2.9/10813=55...(12) HB3 MET 74 - HA LEU 70 far 0 100 0 - 4.8-6.4 HB2 ARG 46 - HA LEU 70 far 0 94 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 10816 from cnoeabs.peaks (2.13, 4.02, 57.49 ppm; 4.45 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLU 69 + HA LEU 70 OK 98 99 100 99 4.5-4.7 10277/3.0=49...(15) HB3 GLU 69 + HA LEU 70 OK 98 99 100 99 3.9-4.1 7146/3.0=41, ~10277=39...(17) HB2 GLN 72 - HA LEU 70 far 0 79 0 - 6.1-6.6 HG2 GLU 69 - HA LEU 70 far 0 99 0 - 6.5-6.6 HG2 GLU 75 - HA LEU 70 far 0 61 0 - 8.7-11.2 Violated in 0 structures by 0.00 A. Peak 10817 from cnoeabs.peaks (3.87, 4.02, 57.49 ppm; 4.95 A increased from 4.66 A): 1 out of 5 assignments used, quality = 0.87: HA ALA 71 + HA LEU 70 OK 87 87 100 100 4.7-4.8 4.9=100 HA ALA 67 - HA LEU 70 far 0 96 0 - 5.8-6.3 HA GLU 35 - HA LEU 70 far 0 95 0 - 7.9-8.7 HA LEU 38 - HA LEU 70 far 0 100 0 - 9.0-9.8 HA LYS 40 - HA LEU 70 far 0 100 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 10818 from cnoeabs.peaks (2.94, 4.02, 57.49 ppm; 6.29 A increased from 5.60 A): 2 out of 5 assignments used, quality = 1.00: HE3 LYS 73 + HA LEU 70 OK 98 99 100 99 2.5-6.5 4.0/10813=86...(7) HE2 LYS 73 + HA LEU 70 OK 91 97 95 99 2.7-6.6 4.0/10813=86...(7) HE3 LYS 66 - HA LEU 70 poor 16 65 25 - 5.6-9.2 HE3 LYS 68 - HA LEU 70 far 0 79 0 - 9.0-10.9 HE2 LYS 68 - HA LEU 70 far 0 82 0 - 9.2-11.2 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 = 1.00: HE3 LYS 39 + QD2 LEU 70 OK 96 100 100 96 2.0-4.3 3.5/10569=51...(16) HE2 LYS 39 + QD2 LEU 70 OK 96 100 100 96 2.0-3.8 3.5/10569=51, 8958=46...(16) HE2 LYS 66 - QD2 LEU 70 poor 17 95 30 61 3.6-7.1 ~10782=21, 4.7/9514=16...(10) HE3 LYS 66 - QD2 LEU 70 far 13 88 15 - 3.5-7.0 HE3 LYS 82 - QD1 LEU 57 far 0 46 0 - 7.1-7.8 HE3 LYS 94 - QD1 LEU 57 far 0 35 0 - 8.7-12.5 HE3 LYS 68 - QD2 LEU 70 far 0 77 0 - 9.0-11.0 HE3 LYS 68 - QD1 LEU 57 far 0 38 0 - 9.0-12.3 HE2 LYS 68 - QD1 LEU 57 far 0 36 0 - 9.3-12.0 HE2 LYS 68 - QD2 LEU 70 far 0 73 0 - 9.7-11.0 HB2 ASN 60 - QD1 LEU 57 far 0 53 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 10822 from cnoeabs.peaks (3.60, 0.81, 24.20 ppm; 4.56 A increased from 4.06 A): 1 out of 1 assignment used, quality = 0.98: HA LYS 39 + QD2 LEU 70 OK 98 99 100 99 3.6-4.3 3.9/10569=60, 8952=50...(17) Violated in 0 structures by 0.00 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 4.4-4.7 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 5.9-6.2 7166/7172=100...(13) Violated in 0 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 3.5-3.7 10858=77, 9590/2.1=58...(16) H ALA 25 + HA ALA 22 OK 38 39 100 98 3.1-3.6 6394=61, 2.9/1154=49...(14) H VAL 78 - HA ALA 71 far 0 98 0 - 6.1-6.9 H LEU 64 - HA ALA 67 far 0 63 0 - 6.9-7.1 H MET 74 - HA ALA 67 far 0 79 0 - 8.8-9.2 H GLU 37 - HA ALA 67 far 0 80 0 - 9.1-9.9 H VAL 78 - HA ALA 67 far 0 75 0 - 9.4-9.7 H ASN 60 - HA ALA 67 far 0 76 0 - 9.7-10.0 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 4.0-4.6 9649=98, 7254/10836=64...(13) H LYS 24 + HA ALA 22 OK 55 55 100 100 4.0-4.3 6376/3.6=73...(11) H LEU 38 - HA ALA 67 far 0 59 0 - 6.7-7.5 H LEU 38 - HA ALA 71 far 0 82 0 - 9.6-10.5 H ILE 76 - HA ALA 67 far 0 80 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 10830 from cnoeabs.peaks (7.76, 1.41, 18.49 ppm; 4.54 A): 2 out of 3 assignments used, quality = 1.00: H VAL 78 + QB ALA 71 OK 100 100 100 100 3.5-4.1 9683=97, 4.0/10210=68...(9) H MET 74 + QB ALA 71 OK 97 97 100 100 4.5-4.7 9590=83, 10858/2.1=75...(13) H SER 49 - QB ALA 71 far 0 68 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 10831 from cnoeabs.peaks (4.01, 3.85, 55.14 ppm; 5.06 A increased from 4.26 A): 1 out of 8 assignments used, quality = 0.98: HA LEU 70 + HA ALA 71 OK 98 98 100 100 4.7-4.8 4.9=100 HA LEU 70 - HA ALA 67 far 0 75 0 - 5.8-6.3 HB3 SER 97 - HA ALA 22 far 0 48 0 - 6.1-7.3 HA GLU 75 - HA ALA 71 far 0 100 0 - 6.3-6.7 HA GLU 69 - HA ALA 71 far 0 98 0 - 6.6-6.9 HA GLU 69 - HA ALA 67 far 0 75 0 - 6.7-6.9 HA GLU 16 - HA ALA 22 far 0 30 0 - 9.7-10.6 HA GLU 95 - HA ALA 22 far 0 54 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 10832 from cnoeabs.peaks (4.00, 1.41, 18.49 ppm; 5.13 A increased from 4.82 A): 2 out of 3 assignments used, quality = 1.00: HA GLU 69 + QB ALA 71 OK 100 100 100 100 5.1-5.4 9554/7170=88...(8) HA LEU 70 + QB ALA 71 OK 92 92 100 100 5.0-5.0 3.6/7165=94, ~7159=55...(13) HA GLU 75 - QB ALA 71 far 0 100 0 - 5.8-6.2 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 = 0.62: HA GLU 75 + HA GLN 72 OK 62 65 100 96 3.4-4.3 9619=76, 7248/9650=46...(8) HA GLU 69 - HA GLN 72 far 0 68 0 - 5.1-5.7 HA LEU 70 - HA GLN 72 far 0 44 0 - 6.4-6.7 HD3 PRO 86 - HA LYS 13 far 0 98 0 - 6.8-7.7 HD2 PRO 86 - HA LYS 13 far 0 99 0 - 8.1-9.1 Violated in 4 structures by 0.03 A. Peak 10834 from cnoeabs.peaks (1.64, 1.41, 18.49 ppm; 3.95 A): 1 out of 12 assignments used, quality = 1.00: HB ILE 76 + QB ALA 71 OK 100 100 100 100 2.2-2.8 10836/2.1=61...(21) HG2 LYS 68 - QB ALA 71 far 0 100 0 - 5.7-6.1 HD2 LYS 68 - QB ALA 71 far 0 99 0 - 6.5-7.5 HD3 LYS 68 - QB ALA 71 far 0 100 0 - 6.6-7.7 HD2 LYS 39 - QB ALA 71 far 0 99 0 - 6.9-9.1 HD2 LYS 73 - QB ALA 71 far 0 88 0 - 7.1-8.4 HB3 LEU 6 - QB ALA 71 far 0 100 0 - 7.4-7.8 HB3 ARG 79 - QB ALA 71 far 0 99 0 - 7.5-8.2 HD3 LYS 73 - QB ALA 71 far 0 91 0 - 7.6-8.3 HD3 LYS 39 - QB ALA 71 far 0 100 0 - 7.7-8.8 HB ILE 52 - QB ALA 71 far 0 84 0 - 9.4-10.5 HB2 LYS 40 - QB ALA 71 far 0 100 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 10835 from cnoeabs.peaks (1.78, 1.41, 18.49 ppm; 3.93 A increased from 3.70 A): 1 out of 7 assignments used, quality = 1.00: HB VAL 78 + QB ALA 71 OK 100 100 100 100 3.6-3.8 9685=100, 2.1/10210=82...(16) HB2 LEU 42 - QB ALA 71 far 0 77 0 - 4.9-5.4 HB ILE 56 - QB ALA 71 far 0 97 0 - 5.2-5.5 HG3 ARG 46 - QB ALA 71 far 0 99 0 - 6.0-8.0 HB2 LYS 39 - QB ALA 71 far 0 91 0 - 6.9-8.2 HB2 LYS 66 - QB ALA 71 far 0 99 0 - 7.3-7.9 HB2 GLU 104 - QB ALA 71 far 0 73 0 - 9.9-20.9 Violated in 0 structures by 0.00 A. Peak 10836 from cnoeabs.peaks (1.63, 3.85, 55.14 ppm; 4.15 A): 1 out of 26 assignments used, quality = 0.97: HB ILE 76 + HA ALA 71 OK 97 97 100 100 2.9-3.9 10834/2.1=71...(19) HG LEU 27 - HA ALA 22 poor 17 37 45 - 4.1-4.7 HG3 LYS 73 - HA ALA 71 far 0 73 0 - 4.6-7.2 HB3 LEU 29 - HA ALA 22 far 0 35 0 - 4.8-5.6 HG2 LYS 68 - HA ALA 67 far 0 75 0 - 5.4-5.7 HD2 LYS 73 - HA ALA 71 far 0 63 0 - 6.2-8.7 HD2 LYS 39 - HA ALA 71 far 0 87 0 - 6.3-9.2 HD2 LYS 66 - HA ALA 67 far 0 56 0 - 6.3-7.9 HD3 LYS 73 - HA ALA 71 far 0 68 0 - 7.0-8.7 HD3 LYS 68 - HA ALA 67 far 0 67 0 - 7.1-8.3 HD3 LYS 39 - HA ALA 71 far 0 99 0 - 7.1-8.5 HD2 LYS 68 - HA ALA 67 far 0 66 0 - 7.1-8.4 HB3 LEU 6 - HA ALA 67 far 0 70 0 - 7.1-7.7 HD2 LYS 39 - HA ALA 67 far 0 63 0 - 7.8-10.1 HD2 LYS 94 - HA ALA 22 far 0 60 0 - 7.9-9.9 HG3 LYS 73 - HA ALA 67 far 0 51 0 - 8.3-9.9 HG2 LYS 68 - HA ALA 71 far 0 98 0 - 8.5-9.0 HB ILE 76 - HA ALA 67 far 0 74 0 - 8.7-9.1 HD3 LYS 94 - HA ALA 22 far 0 37 0 - 9.1-10.8 HD3 LYS 39 - HA ALA 67 far 0 76 0 - 9.3-10.6 HD2 LYS 73 - HA ALA 67 far 0 44 0 - 9.6-11.1 HD3 LYS 68 - HA ALA 71 far 0 91 0 - 9.7-10.8 HD2 LYS 68 - HA ALA 71 far 0 90 0 - 9.8-10.8 HB3 LEU 6 - HA ALA 71 far 0 94 0 - 9.9-10.4 HD3 LYS 73 - HA ALA 67 far 0 47 0 - 10.0-11.3 HD2 LYS 66 - HA ALA 71 far 0 79 0 - 10.0-12.4 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 2 assignments used, quality = 0.99: HG12 ILE 76 + HA ALA 71 OK 99 99 100 100 3.1-3.8 3.0/10836=81...(17) HG12 ILE 76 - HA ALA 67 far 0 77 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 10838 from cnoeabs.peaks (0.74, 3.85, 55.14 ppm; 3.21 A): 3 out of 29 assignments used, quality = 0.95: QD2 LEU 42 + HA ALA 71 OK 82 91 100 90 2.7-3.3 8924=42, 2.1/10597=34...(14) QG2 ILE 93 + HA ALA 22 OK 57 60 100 96 2.0-2.3 10028=37, 8579/2.1=35...(22) QD1 ILE 56 + HA ALA 67 OK 38 42 100 89 3.0-3.3 ~10677=27, ~10680=23...(14) QD1 LEU 27 - HA ALA 22 far 2 48 5 - 3.4-4.1 QD1 ILE 93 - HA ALA 22 far 0 46 0 - 3.5-4.6 QG1 VAL 78 - HA ALA 71 far 0 100 0 - 3.8-4.1 QG2 VAL 78 - HA ALA 71 far 0 87 0 - 3.9-4.3 QD1 ILE 8 - HA ALA 67 far 0 45 0 - 4.0-4.5 QD1 ILE 56 - HA ALA 71 far 0 61 0 - 4.6-4.9 QG1 VAL 58 - HA ALA 67 far 0 62 0 - 4.6-4.9 QG1 VAL 5 - HA ALA 22 far 0 51 0 - 4.8-5.7 QG2 VAL 78 - HA ALA 67 far 0 63 0 - 5.2-5.4 HG13 ILE 56 - HA ALA 67 far 0 53 0 - 5.3-5.7 QD2 LEU 27 - HA ALA 22 far 0 54 0 - 5.4-5.8 QD2 LEU 42 - HA ALA 67 far 0 67 0 - 5.6-6.1 HG13 ILE 93 - HA ALA 22 far 0 61 0 - 5.6-6.1 QD1 LEU 6 - HA ALA 67 far 0 62 0 - 5.7-6.2 QD1 LEU 64 - HA ALA 67 far 0 79 0 - 6.1-6.8 QD1 LEU 6 - HA ALA 71 far 0 85 0 - 6.4-6.9 QG1 VAL 78 - HA ALA 67 far 0 80 0 - 6.4-7.1 QG1 VAL 54 - HA ALA 71 far 0 96 0 - 6.5-7.1 QG1 VAL 54 - HA ALA 67 far 0 72 0 - 6.9-7.5 HG13 ILE 56 - HA ALA 71 far 0 75 0 - 7.3-7.7 QG2 ILE 52 - HA ALA 71 far 0 71 0 - 7.6-8.6 QD1 ILE 8 - HA ALA 71 far 0 65 0 - 8.7-9.1 QG1 VAL 54 - HA ALA 22 far 0 54 0 - 9.1-10.0 QG1 VAL 58 - HA ALA 71 far 0 85 0 - 9.6-9.9 QD1 LEU 64 - HA ALA 71 far 0 100 0 - 9.7-10.5 QG1 VAL 5 - HA ALA 67 far 0 69 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 10839 from cnoeabs.peaks (1.98, 2.23, 28.06 ppm; 5.57 A increased from 4.46 A): 1 out of 4 assignments used, quality = 0.83: HB2 LYS 73 + HB3 GLN 72 OK 83 84 100 100 4.3-5.3 4.1/7199=85...(8) HB3 LYS 73 - HB3 GLN 72 far 12 82 15 - 5.8-6.3 HB3 MET 74 - HB3 GLN 72 far 0 91 0 - 6.5-7.2 QE MET 74 - HB3 GLN 72 far 0 94 0 - 7.3-8.3 Violated in 0 structures by 0.00 A. Peak 10841 from cnoeabs.peaks (1.63, 2.23, 28.06 ppm; 5.53 A increased from 4.92 A): 1 out of 7 assignments used, quality = 0.82: HG3 LYS 73 + HB3 GLN 72 OK 82 82 100 100 3.7-5.5 7208/7199=75...(8) HD3 LYS 68 - HB3 GLN 72 far 8 84 10 - 5.8-7.6 HD2 LYS 68 - HB3 GLN 72 far 8 82 10 - 5.8-7.9 HG2 LYS 68 - HB3 GLN 72 far 0 95 0 - 5.9-6.4 HB ILE 76 - HB3 GLN 72 far 0 93 0 - 6.9-7.3 HD2 LYS 39 - HB3 GLN 72 far 0 79 0 - 9.2-12.7 HD2 LYS 66 - HB3 GLN 72 far 0 87 0 - 9.5-10.8 Violated in 0 structures by 0.00 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 4.2-4.5 7170/7173=91...(10) HB2 LEU 70 - HB3 GLN 72 far 0 63 0 - 6.1-6.6 HG13 ILE 76 - HB3 GLN 72 far 0 75 0 - 8.8-9.2 HG3 LYS 39 - HB3 GLN 72 far 0 65 0 - 9.1-12.6 Violated in 0 structures by 0.00 A. Peak 10845 from cnoeabs.peaks (1.61, 2.16, 28.06 ppm; 5.84 A increased from 5.19 A): 1 out of 5 assignments used, quality = 0.97: HG3 LYS 73 + HB2 GLN 72 OK 97 97 100 100 3.7-5.8 7208/7198=93...(14) HD3 LYS 68 - HB2 GLN 72 far 0 59 0 - 6.6-9.0 HD2 LYS 68 - HB2 GLN 72 far 0 57 0 - 6.8-9.3 HG2 LYS 68 - HB2 GLN 72 far 0 77 0 - 7.3-8.0 HB ILE 76 - HB2 GLN 72 far 0 73 0 - 7.4-7.6 Violated in 1 structures by 0.00 A. Peak 10846 from cnoeabs.peaks (1.41, 2.16, 28.06 ppm; 5.49 A increased from 4.88 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 71 + HB2 GLN 72 OK 100 100 100 100 5.2-5.5 10842/1.8=94...(11) HG13 ILE 76 - HB2 GLN 72 far 0 84 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 10848 from cnoeabs.peaks (7.75, 4.15, 58.19 ppm; 3.97 A): 2 out of 4 assignments used, quality = 0.99: H MET 74 + HA GLN 72 OK 97 99 100 98 3.7-4.3 7213/3.6=63...(10) 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 - 5.5-6.0 H LYS 20 - HA LYS 13 far 0 37 0 - 8.3-8.7 Violated in 0 structures by 0.00 A. Peak 10850 from cnoeabs.peaks (0.73, 4.17, 57.87 ppm; 5.14 A): 1 out of 12 assignments used, quality = 0.54: QG2 VAL 78 + HA GLN 72 OK 54 57 100 96 4.6-5.0 9558/3.0=55, 9569/3.9=49...(7) QG1 VAL 78 - HA GLN 72 poor 12 49 25 - 5.1-5.8 QD1 ILE 52 - HA LYS 47 far 0 35 0 - 5.9-6.2 QD1 LEU 42 - HA GLN 72 far 0 29 0 - 6.0-6.6 QD1 ILE 56 - HA GLN 72 far 0 49 0 - 6.8-7.1 QD1 LEU 42 - HA LYS 73 far 0 61 0 - 7.1-7.9 QG2 VAL 78 - HA LYS 73 far 0 100 0 - 8.2-8.5 QG1 VAL 78 - HA LYS 73 far 0 93 0 - 8.5-9.1 QG1 VAL 54 - HA GLN 72 far 0 32 0 - 9.0-9.7 QD1 ILE 56 - HA LYS 73 far 0 93 0 - 9.5-9.9 QG1 VAL 78 - HA LYS 47 far 0 49 0 - 9.5-10.5 QD1 LEU 64 - HA GLN 72 far 0 52 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 10851 from cnoeabs.peaks (0.78, 1.96, 32.28 ppm; 5.52 A increased from 4.42 A): 4 out of 32 assignments used, quality = 0.95: QD2 LEU 70 + HB2 LYS 73 OK 71 77 100 92 3.9-5.5 10395/2.9=68...(5) QG2 ILE 93 + HB2 LYS 24 OK 59 69 100 87 4.9-5.6 8593/4.0=52, 8613/4.4=42...(6) QD2 LEU 70 + HB3 LYS 73 OK 47 77 70 88 4.7-6.0 10395/2.9=68...(5) QD1 ILE 93 + HB3 LYS 20 OK 20 75 35 77 5.5-7.1 8562/6325=63, 8527/4.0=36 QG2 ILE 93 - HB3 LYS 24 poor 17 69 25 - 4.9-6.7 QD2 LEU 2 - HB2 MET 1 poor 13 37 35 - 4.7-6.8 QD1 ILE 76 - HB2 LYS 73 far 0 88 0 - 5.9-7.7 QD1 LEU 70 - HB2 LYS 73 far 0 61 0 - 5.9-7.2 QD1 ILE 93 - HB2 LYS 24 far 0 88 0 - 6.1-7.1 QD2 LEU 2 - HB2 LYS 47 far 0 63 0 - 6.3-8.9 QG2 ILE 52 - HB2 LYS 47 far 0 91 0 - 6.3-7.4 QD1 ILE 93 - HB3 LYS 24 far 0 88 0 - 6.5-8.1 QD1 LEU 27 - HB3 LYS 24 far 0 88 0 - 6.5-8.2 QD1 LEU 27 - HB2 LYS 24 far 0 88 0 - 6.7-7.8 QG2 ILE 93 - HB3 LYS 20 far 0 57 0 - 6.7-7.7 QD1 ILE 76 - HB3 LYS 73 far 0 88 0 - 6.9-7.8 QD1 LEU 70 - HB3 LYS 73 far 0 61 0 - 7.1-8.1 QD2 LEU 42 - HB2 LYS 73 far 0 98 0 - 7.1-8.9 QG2 ILE 15 - HB3 LYS 20 far 0 49 0 - 7.2-8.8 QD1 LEU 27 - HB2 MET 1 far 0 57 0 - 7.5-8.5 QG1 VAL 78 - HB2 LYS 73 far 0 73 0 - 7.9-9.4 QD1 ILE 76 - HB2 LYS 47 far 0 75 0 - 8.0-9.0 QD2 LEU 42 - HB3 LYS 73 far 0 99 0 - 8.3-9.4 QG2 ILE 52 - HB2 MET 1 far 0 59 0 - 8.6-9.0 QG2 ILE 7 - HB3 LYS 20 far 0 64 0 - 8.6-10.4 HG13 ILE 93 - HB2 LYS 24 far 0 57 0 - 8.8-9.7 QG1 VAL 78 - HB3 LYS 73 far 0 73 0 - 9.1-10.1 HG13 ILE 93 - HB3 LYS 20 far 0 46 0 - 9.1-10.8 HG13 ILE 93 - HB3 LYS 24 far 0 57 0 - 9.1-10.9 QD1 ILE 15 - HB3 LYS 20 far 0 68 0 - 9.7-11.4 QD2 LEU 42 - HB2 LYS 47 far 0 88 0 - 9.8-10.1 QD1 LEU 27 - HB3 LYS 20 far 0 75 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 10852 from cnoeabs.peaks (0.76, 1.49, 25.00 ppm; 4.71 A increased from 3.96 A): 1 out of 37 assignments used, quality = 0.41: QG2 ILE 52 + HG2 LYS 53 OK 41 50 100 83 4.1-4.5 6870/5.0=46...(9) QG2 ILE 52 - HG3 LYS 53 poor 15 62 25 - 4.8-5.5 QG2 ILE 8 - HG3 LYS 33 far 7 66 10 - 4.9-5.9 QD1 ILE 15 - HG3 LYS 33 far 0 89 0 - 5.1-5.7 QG1 VAL 78 - HG2 LYS 53 far 0 56 0 - 5.6-6.8 QG2 ILE 93 - HG3 LYS 24 far 0 89 0 - 6.0-8.0 QG2 ILE 52 - HG2 LYS 47 far 0 92 0 - 6.1-7.5 QD1 ILE 15 - HG3 LYS 13 far 0 100 0 - 6.1-7.1 QD2 LEU 27 - HG3 LYS 53 far 0 51 0 - 6.4-7.4 QG1 VAL 78 - HG3 LYS 53 far 0 68 0 - 6.7-7.8 QD1 LEU 27 - HG3 LYS 53 far 0 70 0 - 6.8-7.8 QD1 ILE 93 - HG3 LYS 24 far 0 87 0 - 6.9-9.6 QD1 LEU 27 - HG3 LYS 24 far 0 87 0 - 7.0-9.4 HG13 ILE 15 - HG3 LYS 33 far 0 89 0 - 7.0-8.3 QG2 VAL 78 - HG2 LYS 53 far 0 31 0 - 7.3-8.4 QG1 VAL 54 - HG2 LYS 53 far 0 60 0 - 7.3-7.6 HG13 ILE 15 - HG3 LYS 13 far 0 99 0 - 7.4-9.6 QG1 VAL 54 - HG3 LYS 53 far 0 73 0 - 7.6-7.8 QD2 LEU 42 - HG2 LYS 73 far 0 99 0 - 7.6-8.6 QD2 LEU 27 - HG2 LYS 53 far 0 40 0 - 7.7-8.8 QD2 LEU 42 - HG2 LYS 47 far 0 99 0 - 7.8-9.3 QD2 LEU 27 - HG3 LYS 24 far 0 65 0 - 7.8-10.0 QD2 LEU 42 - HG2 LYS 53 far 0 58 0 - 7.9-8.9 QG2 VAL 78 - HG2 LYS 73 far 0 63 0 - 7.9-8.5 QD1 LEU 27 - HG2 LYS 53 far 0 57 0 - 8.1-8.9 QG2 VAL 78 - HG3 LYS 53 far 0 39 0 - 8.4-9.4 QG1 VAL 78 - HG2 LYS 73 far 0 98 0 - 8.5-9.3 QG1 VAL 58 - HG3 LYS 33 far 0 49 0 - 8.7-9.6 QD1 LEU 6 - HG3 LYS 33 far 0 85 0 - 8.7-9.2 QD2 LEU 42 - HG3 LYS 53 far 0 71 0 - 8.8-9.7 QG1 VAL 78 - HG2 LYS 47 far 0 98 0 - 9.2-11.1 QG1 VAL 5 - HG3 LYS 53 far 0 46 0 - 9.3-10.4 QG1 VAL 54 - HG2 LYS 47 far 0 100 0 - 9.4-10.8 QD1 LEU 6 - HG2 LYS 47 far 0 98 0 - 9.5-10.7 QD1 LEU 6 - HG2 LYS 53 far 0 56 0 - 9.5-10.5 QG1 VAL 5 - HG2 LYS 53 far 0 37 0 - 9.7-10.5 QG2 ILE 93 - HG3 LYS 53 far 0 71 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 10853 from cnoeabs.peaks (0.75, 1.60, 25.00 ppm; 4.56 A): 2 out of 20 assignments used, quality = 0.98: QD1 ILE 15 + HG3 LYS 12 OK 95 100 95 100 4.3-4.9 8468/1.8=85, 8381/3.7=75...(12) QD1 ILE 93 + HG3 LYS 90 OK 57 62 100 92 4.0-4.7 9947/4.0=66...(9) QG2 ILE 93 - HG3 LYS 90 far 0 68 0 - 6.0-6.4 QG2 ILE 52 - HG3 LYS 47 far 0 57 0 - 6.3-7.7 HG13 ILE 93 - HG3 LYS 90 far 0 65 0 - 6.5-7.5 QG2 ILE 93 - HG2 LYS 24 far 0 95 0 - 6.7-8.0 QD2 LEU 42 - HG3 LYS 73 far 0 98 0 - 6.8-9.3 HG13 ILE 15 - HG3 LYS 12 far 0 100 0 - 7.1-8.1 QD1 ILE 93 - HG2 LYS 24 far 0 90 0 - 7.4-9.3 QG2 VAL 78 - HG3 LYS 73 far 0 71 0 - 7.5-8.7 QG1 VAL 78 - HG3 LYS 73 far 0 99 0 - 7.7-9.5 QD1 LEU 27 - HG2 LYS 24 far 0 90 0 - 7.8-9.3 QD2 LEU 42 - HG3 LYS 47 far 0 69 0 - 7.8-9.5 QG1 VAL 5 - HG3 LYS 90 far 0 48 0 - 8.1-8.8 QD2 LEU 27 - HG2 LYS 24 far 0 78 0 - 8.2-10.2 QG1 VAL 78 - HG3 LYS 47 far 0 71 0 - 9.4-11.1 QD1 LEU 27 - HG3 LYS 90 far 0 63 0 - 9.4-10.0 QD1 LEU 6 - HG3 LYS 47 far 0 66 0 - 9.5-11.4 QG1 VAL 54 - HG3 LYS 47 far 0 72 0 - 9.5-11.7 QD1 LEU 6 - HG3 LYS 73 far 0 96 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 10854 from cnoeabs.peaks (0.80, 1.67, 28.90 ppm; 3.88 A): 0 out of 30 assignments used, quality = 0.00: QD2 LEU 70 - HD2 LYS 73 poor 20 98 20 - 3.8-5.3 QD2 LEU 70 - HD3 LYS 73 far 0 98 0 - 4.3-5.9 QG2 ILE 15 - HD3 LYS 20 far 0 68 0 - 5.7-8.3 QD1 LEU 57 - HB3 ARG 91 far 0 30 0 - 5.8-6.3 QD1 ILE 76 - HD2 LYS 73 far 0 100 0 - 5.9-9.5 QD1 ILE 93 - HB3 ARG 91 far 0 36 0 - 6.1-7.2 QG2 ILE 15 - HD2 LYS 20 far 0 65 0 - 6.1-7.2 QD1 LEU 70 - HD2 LYS 73 far 0 92 0 - 6.2-7.7 QD1 ILE 93 - HD3 LYS 20 far 0 55 0 - 6.4-8.7 QD1 ILE 93 - HD2 LYS 20 far 0 52 0 - 6.7-8.6 QD1 ILE 76 - HD3 LYS 73 far 0 100 0 - 6.7-9.6 QD2 LEU 2 - HD3 LYS 47 far 0 47 0 - 6.7-9.8 QD1 ILE 76 - HD2 LYS 47 far 0 51 0 - 6.7-9.6 QD1 LEU 70 - HD3 LYS 73 far 0 92 0 - 6.7-8.1 QG2 ILE 52 - HD2 LYS 47 far 0 45 0 - 7.0-8.9 QD1 ILE 76 - HD3 LYS 47 far 0 50 0 - 7.0-9.0 QG2 ILE 52 - HD3 LYS 47 far 0 44 0 - 7.1-8.9 QD2 LEU 2 - HD2 LYS 47 far 0 48 0 - 7.3-10.7 QD2 LEU 57 - HB3 ARG 91 far 0 50 0 - 7.5-7.9 QD2 LEU 42 - HD2 LYS 73 far 0 79 0 - 7.8-10.4 QG2 ILE 7 - HD3 LYS 20 far 0 74 0 - 7.9-10.5 QD1 ILE 15 - HD2 LYS 20 far 0 39 0 - 8.3-9.4 QG2 ILE 7 - HD2 LYS 20 far 0 70 0 - 8.3-9.6 QD1 ILE 15 - HD3 LYS 20 far 0 41 0 - 8.3-10.5 QD2 LEU 42 - HD3 LYS 73 far 0 79 0 - 8.7-10.3 QD2 LEU 42 - HD2 LYS 47 far 0 34 0 - 8.8-10.5 QD2 LEU 42 - HD3 LYS 47 far 0 33 0 - 8.9-9.9 QD2 LEU 103 - HB3 ARG 91 far 0 31 0 - 9.0-20.3 QG1 VAL 54 - HD3 LYS 47 far 0 28 0 - 9.9-11.7 QD1 LEU 6 - HD3 LYS 47 far 0 37 0 - 9.9-11.2 Violated in 7 structures by 0.02 A. Peak 10859 from cnoeabs.peaks (4.17, 4.40, 55.19 ppm; 4.74 A increased from 4.46 A): 1 out of 2 assignments used, quality = 1.00: HA LYS 73 + HA MET 74 OK 100 100 100 100 4.6-4.7 4.8=93, ~7213=45...(16) HA GLN 72 - HA MET 74 far 0 94 0 - 6.1-6.5 Violated in 0 structures by 0.00 A. Peak 10860 from cnoeabs.peaks (3.85, 2.06, 33.37 ppm; 6.04 A): 2 out of 5 assignments used, quality = 1.00: HA ALA 71 + HB2 MET 74 OK 100 100 100 100 4.0-5.0 9551/2.9=93...(12) HA GLU 43 + HB2 MET 74 OK 47 75 100 63 4.9-5.8 9610/3368=45, 9668/9596=31 HB3 SER 49 - HB2 MET 74 far 0 100 0 - 6.8-9.0 HA LYS 40 - HB2 MET 74 far 0 98 0 - 8.6-9.5 HA ALA 67 - HB2 MET 74 far 0 100 0 - 10.0-11.3 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 2.4-3.3 9551/2.9=91, 9611/2.9=78...(19) HB3 SER 49 - HB3 MET 74 far 0 93 0 - 7.6-9.9 HA LYS 68 - HB3 MET 74 far 0 73 0 - 7.9-8.8 HA ALA 67 - HB3 MET 74 far 0 96 0 - 8.5-9.7 HA LYS 40 - HB3 MET 74 far 0 82 0 - 9.1-9.8 HA LEU 38 - HB3 MET 74 far 0 65 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 10862 from cnoeabs.peaks (4.17, 2.62, 33.04 ppm; 6.14 A): 2 out of 3 assignments used, quality = 0.96: HA LYS 73 + HG3 MET 74 OK 90 100 90 100 5.3-6.6 3.6/7229=95, 9612/1.8=88...(12) HB2 SER 59 + HB VAL 58 OK 64 64 100 100 4.7-5.9 6963/4.4=86, ~10726=78...(7) HA GLN 72 - HG3 MET 74 far 0 98 0 - 6.5-8.0 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 99 4.0-6.1 10282/3.4=75...(9) HB3 SER 59 + HB VAL 58 OK 63 63 100 100 4.6-5.5 6964/4.4=90, ~10726=84...(8) HA ARG 46 - HG3 MET 74 far 0 84 0 - 7.6-8.8 HB2 SER 49 - HG3 MET 74 far 0 99 0 - 9.3-11.3 HA LYS 66 - HG3 MET 74 far 0 77 0 - 9.4-11.7 HA LYS 66 - HB VAL 58 far 0 44 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 10865 from cnoeabs.peaks (2.17, 4.40, 55.19 ppm; 4.75 A increased from 4.23 A): 3 out of 6 assignments used, quality = 0.99: HB3 GLU 75 + HA MET 74 OK 84 88 100 96 4.0-4.5 ~9625=35, 2.9/9624=32...(12) HG2 GLU 75 + HA MET 74 OK 81 100 90 90 3.3-5.9 7243/3.6=39, 9622=31...(9) HG3 GLU 75 + HA MET 74 OK 56 99 65 87 3.3-5.7 9622=31, 1.8/9622=30...(10) HB2 GLU 75 - HA MET 74 far 0 75 0 - 5.6-5.8 HB2 GLN 72 - HA MET 74 far 0 100 0 - 7.3-7.6 HG2 GLU 43 - HA MET 74 far 0 90 0 - 7.3-9.6 Violated in 0 structures by 0.00 A. Peak 10868 from cnoeabs.peaks (0.89, 2.00, 17.28 ppm; 4.46 A): 2 out of 4 assignments used, quality = 0.85: QD1 LEU 38 + QE MET 74 OK 66 75 100 88 4.1-4.6 8912/9587=45...(8) QG2 ILE 76 + QE MET 74 OK 55 99 55 100 4.4-5.2 3452/9604=85...(19) QG1 VAL 32 - QE MET 74 far 0 96 0 - 7.2-7.6 QD1 LEU 2 - QE MET 74 far 0 99 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 10869 from cnoeabs.peaks (2.89, 2.00, 17.28 ppm; 5.03 A increased from 4.23 A): 2 out of 4 assignments used, quality = 1.00: HE3 LYS 39 + QE MET 74 OK 99 99 100 99 4.2-5.2 3.5/9602=84...(7) HE2 LYS 39 + QE MET 74 OK 86 96 90 99 3.5-5.4 3.5/9602=84...(7) HE2 LYS 66 - QE MET 74 far 0 99 0 - 7.8-12.3 HE3 LYS 66 - QE MET 74 far 0 96 0 - 8.8-12.0 Violated in 0 structures by 0.00 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 3.9-4.2 10343=81, 3.6/12303=76...(17) HA GLU 37 - QE MET 74 far 0 94 0 - 7.4-7.8 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 5.0-5.4 ~9664=63, ~9592=55...(18) QB ALA 71 - HA MET 74 far 0 100 0 - 6.4-6.7 HG3 LYS 39 - HA MET 74 far 0 75 0 - 6.9-9.0 Violated in 3 structures by 0.00 A. Peak 10875 from cnoeabs.peaks (3.87, 1.44, 26.75 ppm; 4.04 A): 3 out of 14 assignments used, quality = 0.95: HA ARG 91 + HG3 ARG 91 OK 84 84 100 100 2.5-3.5 4.0=100 HA LEU 38 + HG LEU 38 OK 58 58 100 100 3.7-3.7 3.7=100 HA ALA 67 + HG LEU 38 OK 31 48 100 64 2.5-3.3 ~9526=33, 1659/2.1=27...(8) HA GLU 35 - HG LEU 38 poor 17 54 40 78 4.0-4.7 12057/5.3=32...(7) HB3 SER 49 - HG13 ILE 76 far 5 95 5 - 4.2-6.0 HA ALA 71 - HG13 ILE 76 far 0 81 0 - 4.5-5.3 HA GLU 43 - HG13 ILE 76 far 0 99 0 - 5.8-6.4 HA GLU 63 - HG LEU 38 far 0 26 0 - 6.0-6.8 HA ALA 89 - HG3 ARG 91 far 0 68 0 - 6.7-8.0 HA LYS 94 - HG3 ARG 91 far 0 88 0 - 7.0-8.2 HA ALA 71 - HG LEU 38 far 0 40 0 - 7.2-7.9 HA ALA 89 - HG LEU 29 far 0 64 0 - 9.0-9.6 HA LYS 40 - HG LEU 38 far 0 56 0 - 9.3-9.5 HB2 SER 85 - HG3 ARG 91 far 0 65 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 10876 from cnoeabs.peaks (1.97, 1.44, 26.75 ppm; 4.31 A): 3 out of 17 assignments used, quality = 1.00: HB3 MET 74 + HG13 ILE 76 OK 100 100 100 100 3.2-4.0 9665/1.8=63, ~9664=54...(23) HB2 ARG 46 + HG13 ILE 76 OK 74 99 75 100 2.6-5.1 3.0/10177=52, ~9639=41...(30) QE MET 74 + HG13 ILE 76 OK 22 65 35 97 4.2-5.1 9604/2.1=54, 9606/1.8=39...(14) HB3 ARG 46 - HG13 ILE 76 poor 20 100 20 - 4.3-5.0 HB VAL 32 - HG LEU 38 far 0 43 0 - 5.0-5.2 HB2 GLU 37 - HG LEU 38 far 0 54 0 - 6.3-6.6 QE MET 74 - HG LEU 38 far 0 31 0 - 6.5-7.3 HB3 ARG 19 - HG LEU 29 far 0 49 0 - 6.7-7.5 HB2 LYS 73 - HG13 ILE 76 far 0 99 0 - 7.8-9.7 HG3 GLU 88 - HG3 ARG 91 far 0 75 0 - 7.9-9.5 HB VAL 32 - HG LEU 29 far 0 66 0 - 8.4-8.9 HB3 LYS 73 - HG13 ILE 76 far 0 99 0 - 8.7-9.6 HB3 MET 74 - HG LEU 38 far 0 58 0 - 9.2-10.2 HB2 GLU 44 - HG13 ILE 76 far 0 68 0 - 9.3-10.2 HB2 LYS 47 - HG13 ILE 76 far 0 100 0 - 9.4-10.5 HB2 LYS 73 - HG LEU 38 far 0 56 0 - 9.8-11.8 HB3 LYS 20 - HG LEU 29 far 0 57 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 10877 from cnoeabs.peaks (0.69, 0.88, 17.57 ppm; 3.25 A): 1 out of 11 assignments used, quality = 0.45: QG2 VAL 54 + QG2 ILE 76 OK 45 57 100 78 2.6-3.3 11070=38, 2.1/9233=32...(10) QG2 VAL 78 - QG2 ILE 76 far 0 82 0 - 3.8-4.4 QD1 ILE 52 - QG2 ILE 76 far 0 100 0 - 4.0-4.8 QD1 LEU 42 - QG2 ILE 76 far 0 100 0 - 4.1-4.5 QD1 ILE 56 - QG2 ILE 76 far 0 98 0 - 4.9-5.4 HG13 ILE 56 - QG2 ILE 76 far 0 92 0 - 6.6-7.3 QD2 LEU 6 - QG2 ILE 76 far 0 99 0 - 7.3-7.7 QG1 VAL 5 - QG2 ILE 76 far 0 73 0 - 8.8-9.2 QD1 ILE 8 - QG2 ILE 76 far 0 96 0 - 9.0-9.6 QD2 LEU 27 - QG2 ILE 76 far 0 68 0 - 9.7-10.8 QG1 VAL 58 - QG2 ILE 76 far 0 84 0 - 9.7-10.1 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 3.1-3.5 3.0/10286=73...(19) HA GLU 37 - QD1 ILE 76 far 0 97 0 - 9.7-10.0 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 3.0-4.3 3.4/9604=97...(20) HB3 TYR 41 - QD1 ILE 76 far 0 98 0 - 6.4-6.7 HB3 ASP 77 - QD1 ILE 76 far 0 99 0 - 6.6-7.2 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 3.2-4.3 3.4/9604=99...(20) HG3 GLN 72 - QD1 ILE 76 far 0 98 0 - 6.8-7.9 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 2.0-4.2 9020=99, 1.8/9017=87...(24) HB2 ASP 77 - QD1 ILE 76 far 0 93 0 - 7.0-7.5 Violated in 0 structures by 0.00 A. Peak 10882 from cnoeabs.peaks (3.31, 0.80, 13.65 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: HD2 ARG 46 + QD1 ILE 76 OK 100 100 100 100 2.1-3.3 9017=100, 1.8/9020=94...(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 3 assignments used, quality = 0.98: HB3 LEU 42 + QG2 ILE 76 OK 98 98 100 100 3.8-4.2 10285/3.2=61...(21) HG LEU 3 - QG2 ILE 76 far 0 99 0 - 8.8-9.7 HG2 ARG 30 - QG2 ILE 76 far 0 100 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 10884 from cnoeabs.peaks (1.30, 1.64, 40.34 ppm; 5.51 A): 1 out of 2 assignments used, quality = 1.00: HB3 LEU 42 + HB ILE 76 OK 100 100 100 100 4.5-5.0 10883/2.1=90...(21) QB ALA 67 - HB ILE 76 far 0 63 0 - 8.0-8.4 Violated in 0 structures by 0.00 A. Peak 10885 from cnoeabs.peaks (5.17, 0.80, 13.65 ppm; 6.50 A increased from 6.29 A): 1 out of 4 assignments used, quality = 0.85: HA VAL 78 + QD1 ILE 76 OK 85 85 100 100 6.3-6.5 9635/3452=88, ~10906=76...(16) HA VAL 54 - QD1 ILE 76 far 0 99 0 - 7.3-7.7 HA LEU 3 - QD1 ILE 76 far 0 59 0 - 9.4-10.2 HA TYR 4 - QD1 ILE 76 far 0 87 0 - 9.8-10.4 Violated in 12 structures by 0.01 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 2.3-3.5 4.0=100 QD PHE 96 - HG2 ARG 91 far 0 53 0 - 8.8-10.5 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 4.4-5.2 6729/9669=86...(10) H ALA 71 + QD1 ILE 76 OK 99 99 100 100 4.5-5.5 7165/12176=56, ~10837=52...(13) Violated in 0 structures by 0.00 A. Peak 10888 from cnoeabs.peaks (8.50, 0.80, 13.65 ppm; 6.50 A increased from 5.81 A): 1 out of 5 assignments used, quality = 0.96: H VAL 54 + QD1 ILE 76 OK 96 98 100 98 6.1-6.6 9628/3452=93...(3) H ARG 79 - QD1 ILE 76 far 0 100 0 - 7.7-8.2 H LYS 53 - QD1 ILE 76 far 0 65 0 - 7.8-8.7 H ASN 51 - QD1 ILE 76 far 0 75 0 - 8.9-10.0 H ALA 67 - QD1 ILE 76 far 0 88 0 - 9.4-10.1 Violated in 9 structures by 0.01 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 4 assignments used, quality = 1.00: HB2 LYS 53 + HB2 ASP 77 OK 100 100 100 100 4.1-5.0 3.0/9673=87, 3.0/9674=87...(8) HB2 GLU 104 - HB2 ASP 77 far 0 73 0 - 6.4-18.9 HB3 GLU 104 - HB2 ASP 77 far 0 79 0 - 6.6-20.3 HG2 ARG 46 - HB2 ASP 77 far 0 96 0 - 8.1-11.6 Violated in 0 structures by 0.00 A. Peak 10893 from cnoeabs.peaks (1.66, 3.21, 40.23 ppm; 6.50 A increased from 5.48 A): 2 out of 5 assignments used, quality = 0.99: HB ILE 76 + HB2 ASP 77 OK 94 94 100 100 6.0-6.6 4.4/7269=94...(12) HB3 LYS 53 + HB2 ASP 77 OK 88 88 100 100 5.3-6.5 3.0/9673=99, 3.0/9674=98...(8) HB ILE 52 - HB2 ASP 77 far 0 99 0 - 6.9-8.3 HB3 ARG 79 - HB2 ASP 77 far 0 99 0 - 7.9-8.8 HB2 LEU 2 - HB2 ASP 77 far 0 59 0 - 8.2-9.7 Violated in 0 structures by 0.00 A. Peak 10894 from cnoeabs.peaks (0.86, 3.21, 40.23 ppm; 5.66 A): 1 out of 4 assignments used, quality = 0.87: QG2 ILE 76 + HB2 ASP 77 OK 87 87 100 100 4.2-4.8 9496/1.8=94, 4.3/7269=84...(12) QD1 LEU 103 - HB2 ASP 77 far 0 100 0 - 6.2-13.8 QD2 LEU 103 - HB2 ASP 77 far 0 71 0 - 6.7-13.2 QD1 LEU 2 - HB2 ASP 77 far 0 88 0 - 7.1-8.7 Violated in 0 structures by 0.00 A. Peak 10895 from cnoeabs.peaks (0.73, 3.21, 40.23 ppm; 5.99 A): 2 out of 7 assignments used, quality = 1.00: QG2 VAL 78 + HB2 ASP 77 OK 99 99 100 100 5.6-5.9 8181/3.0=88, ~9497=74...(11) QG1 VAL 78 + HB2 ASP 77 OK 97 97 100 100 4.4-4.8 9497/1.8=94...(13) QD1 ILE 52 - HB2 ASP 77 far 0 63 0 - 6.7-8.0 QD2 LEU 42 - HB2 ASP 77 far 0 68 0 - 6.9-7.5 QG1 VAL 54 - HB2 ASP 77 far 0 77 0 - 7.2-7.7 QD1 ILE 56 - HB2 ASP 77 far 0 87 0 - 7.9-8.5 QD1 LEU 6 - HB2 ASP 77 far 0 59 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 10900 from cnoeabs.peaks (4.69, 0.74, 21.24 ppm; 4.44 A): 2 out of 7 assignments used, quality = 0.85: HA LEU 55 + QG1 VAL 54 OK 65 66 100 98 3.7-4.2 2.9/6905=80, ~6903=41...(10) HA ARG 79 + QG2 VAL 78 OK 58 59 100 99 3.5-3.9 7298/9715=69, ~7285=46...(13) HA LEU 55 - QG2 VAL 78 far 3 52 5 - 4.7-5.2 HA LEU 55 - QG1 VAL 78 far 0 87 0 - 5.0-5.5 HA ARG 79 - QG1 VAL 78 far 0 94 0 - 5.5-5.6 HA ARG 79 - QG1 VAL 54 far 0 74 0 - 6.7-7.1 HA LYS 82 - QG2 VAL 78 far 0 66 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 10901 from cnoeabs.peaks (4.69, 0.72, 21.10 ppm; 4.53 A): 2 out of 9 assignments used, quality = 0.96: HA ARG 79 + QG2 VAL 78 OK 89 90 100 99 3.5-3.9 7298/9715=57...(14) HA LEU 55 + QG1 VAL 5 OK 64 64 100 100 4.2-4.8 3.0/9248=62...(21) HA LEU 55 - QG2 VAL 78 far 9 92 10 - 4.7-5.2 HA LEU 55 - QG1 VAL 78 far 0 57 0 - 5.0-5.5 HA ARG 79 - QG1 VAL 78 far 0 55 0 - 5.5-5.6 HA LEU 27 - QG1 VAL 5 far 0 40 0 - 7.4-8.0 HA ARG 79 - QG1 VAL 5 far 0 62 0 - 8.1-8.9 HA LYS 82 - QG1 VAL 5 far 0 72 0 - 8.8-9.3 HA LYS 82 - QG2 VAL 78 far 0 99 0 - 9.5-10.2 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 4 assignments used, quality = 0.99: HA ASP 77 + QG2 VAL 78 OK 97 98 100 99 4.0-4.4 7274/4.0=76, 9682/2.1=44...(10) HA ASP 77 + QG1 VAL 78 OK 63 64 100 100 3.8-4.0 7274/4.0=76, 3.0/9497=51...(11) HA PHE 45 - QG1 VAL 78 far 0 36 0 - 6.3-7.1 HA PHE 45 - QG2 VAL 78 far 0 63 0 - 8.8-9.7 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 3.8-4.0 7274/4.0=75...(11) HA ASP 77 + QG2 VAL 78 OK 59 60 100 99 4.0-4.4 7274/4.0=75, 9682/2.1=46...(10) HA PHE 45 - QG1 VAL 54 far 0 54 0 - 5.8-6.8 HA PHE 45 - QG1 VAL 78 far 0 73 0 - 6.3-7.1 HA ASP 77 - QG1 VAL 54 far 0 75 0 - 7.2-7.8 HA PHE 45 - QG2 VAL 78 far 0 42 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 10904 from cnoeabs.peaks (3.81, 0.74, 21.24 ppm; 4.25 A): 3 out of 14 assignments used, quality = 0.95: HA ALA 71 + QG1 VAL 78 OK 75 75 100 99 3.8-4.1 2.1/10210=60, ~9685=51...(13) HA LYS 68 + QG2 VAL 78 OK 65 65 100 100 2.7-3.3 8509=99, 9687/2.1=35...(10) HA ALA 71 + QG2 VAL 78 OK 43 44 100 99 3.9-4.3 ~10210=57, ~9685=51...(13) HA LYS 68 - QG1 VAL 78 far 0 99 0 - 4.8-5.6 HA ALA 67 - QG2 VAL 78 far 0 33 0 - 5.2-5.4 HA ALA 67 - QG1 VAL 78 far 0 59 0 - 6.4-7.1 HA ALA 71 - QG1 VAL 54 far 0 56 0 - 6.5-7.1 HA ALA 67 - QG1 VAL 54 far 0 43 0 - 6.9-7.5 HA LYS 68 - QG1 VAL 54 far 0 81 0 - 7.0-7.5 HA ALA 22 - QG1 VAL 54 far 0 79 0 - 9.1-10.0 HA SER 97 - QG1 VAL 54 far 0 83 0 - 9.2-10.0 HB3 SER 102 - QG2 VAL 78 far 0 67 0 - 9.4-16.0 HB3 SER 102 - QG1 VAL 78 far 0 100 0 - 9.6-14.3 HA ARG 19 - QG1 VAL 54 far 0 83 0 - 9.7-10.7 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 14 assignments used, quality = 0.99: HA LYS 68 + QG2 VAL 78 OK 91 98 100 93 2.7-3.3 8509=62, 9687/2.1=30...(12) HA ALA 71 + QG2 VAL 78 OK 78 82 95 99 3.9-4.3 ~10210=51, 2.1/10292=46...(13) HA ALA 71 + QG1 VAL 78 OK 48 49 100 98 3.8-4.1 ~9685=45, ~10835=45...(13) HA LYS 68 - QG1 VAL 78 far 0 63 0 - 4.8-5.6 HA ALA 22 - QG1 VAL 5 far 0 74 0 - 4.8-5.7 HA ALA 67 - QG2 VAL 78 far 0 68 0 - 5.2-5.4 HA ARG 19 - QG1 VAL 5 far 0 74 0 - 5.4-6.5 HA ALA 67 - QG1 VAL 78 far 0 38 0 - 6.4-7.1 HB3 SER 49 - QG1 VAL 78 far 0 34 0 - 6.7-8.3 HA SER 97 - QG1 VAL 5 far 0 76 0 - 7.4-8.2 HB3 SER 49 - QG2 VAL 78 far 0 61 0 - 8.9-10.5 HB3 SER 102 - QG2 VAL 78 far 0 99 0 - 9.4-16.0 HB3 SER 102 - QG1 VAL 78 far 0 66 0 - 9.6-14.3 HA ALA 67 - QG1 VAL 5 far 0 44 0 - 9.8-10.5 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 27 assignments used, quality = 0.86: QG2 ILE 76 + QG1 VAL 78 OK 86 92 100 93 1.9-2.5 2.1/10289=31, ~10197=22...(21) QD1 LEU 38 - QG1 VAL 54 far 0 83 0 - 3.7-4.4 QG2 ILE 76 - QG2 VAL 78 far 0 57 0 - 3.8-4.4 QD1 LEU 38 - QG1 VAL 78 far 0 100 0 - 4.1-4.6 QD1 LEU 38 - QG2 VAL 78 far 0 67 0 - 4.2-4.6 QG2 ILE 76 - QG1 VAL 54 far 0 71 0 - 4.4-4.9 QG2 VAL 32 - QG1 VAL 54 far 0 54 0 - 4.9-5.3 QD1 LEU 57 - QG1 VAL 54 far 0 48 0 - 6.5-7.7 QG2 VAL 32 - QG1 VAL 78 far 0 73 0 - 7.0-7.3 HG13 ILE 8 - QG1 VAL 54 far 0 66 0 - 7.0-8.3 QD2 LEU 64 - QG2 VAL 78 far 0 68 0 - 7.2-8.0 QG2 VAL 32 - QG2 VAL 78 far 0 42 0 - 7.2-7.6 QD1 LEU 57 - QG2 VAL 78 far 0 37 0 - 7.3-8.4 QD1 LEU 2 - QG1 VAL 78 far 0 93 0 - 7.4-8.3 QD1 LEU 2 - QG1 VAL 54 far 0 72 0 - 7.6-8.2 HG13 ILE 8 - QG2 VAL 78 far 0 52 0 - 8.3-9.9 QD1 LEU 57 - QG1 VAL 78 far 0 65 0 - 8.4-9.6 QD1 LEU 103 - QG2 VAL 78 far 0 68 0 - 8.6-15.5 HG13 ILE 7 - QG1 VAL 54 far 0 57 0 - 8.9-9.3 HG13 ILE 8 - QG1 VAL 78 far 0 87 0 - 8.9-10.4 QD1 LEU 103 - QG1 VAL 78 far 0 100 0 - 9.1-14.8 QD1 LEU 103 - QG1 VAL 54 far 0 83 0 - 9.2-15.5 QD2 LEU 64 - QG1 VAL 78 far 0 100 0 - 9.2-10.2 QD1 LEU 2 - QG2 VAL 78 far 0 58 0 - 9.5-10.4 QD2 LEU 103 - QG1 VAL 78 far 0 63 0 - 9.5-14.1 QD2 LEU 64 - QG1 VAL 54 far 0 83 0 - 9.8-10.3 QD2 LEU 103 - QG2 VAL 78 far 0 36 0 - 9.9-15.2 Violated in 0 structures by 0.00 A. Peak 10907 from cnoeabs.peaks (0.95, 0.72, 21.10 ppm; 2.94 A): 2 out of 14 assignments used, quality = 0.91: 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 64 73 95 93 2.4-3.5 2.1/9270=28, 3.0/9248=24...(21) QG2 THR 80 - QG2 VAL 78 poor 19 84 40 57 3.1-3.7 4.0/9715=20...(10) QG2 THR 80 - QG1 VAL 78 far 0 50 0 - 4.9-5.7 QG2 VAL 83 - QG1 VAL 5 far 0 74 0 - 5.7-6.2 QG2 THR 80 - QG1 VAL 5 far 0 57 0 - 6.7-7.2 QG2 VAL 5 - QG1 VAL 78 far 0 66 0 - 6.9-7.2 HG LEU 55 - QG2 VAL 78 far 0 99 0 - 6.9-7.4 HG LEU 55 - QG1 VAL 78 far 0 65 0 - 7.4-7.9 HB2 ARG 81 - QG1 VAL 5 far 0 62 0 - 7.5-8.2 QG2 VAL 5 - QG2 VAL 78 far 0 99 0 - 7.5-8.0 HB2 ARG 81 - QG2 VAL 78 far 0 90 0 - 7.7-9.4 QG2 VAL 83 - QG2 VAL 78 far 0 99 0 - 9.3-9.6 HB2 ARG 81 - QG1 VAL 78 far 0 55 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 10908 from cnoeabs.peaks (0.72, 1.65, 31.20 ppm; 5.75 A increased from 5.42 A): 2 out of 15 assignments used, quality = 1.00: QG2 VAL 78 + HB3 ARG 79 OK 100 100 100 100 5.3-5.7 4.3/7290=83...(9) HG3 ARG 81 + HB3 ARG 79 OK 39 90 70 62 3.8-7.8 1.8/9694=29...(6) QG1 VAL 5 - HB3 ARG 79 far 0 99 0 - 6.1-8.2 QD1 ILE 56 - HB3 ARG 79 far 0 99 0 - 6.3-6.7 QD1 LEU 64 - HB3 ARG 79 far 0 87 0 - 6.3-7.2 QG1 VAL 78 - HB3 ARG 79 far 0 81 0 - 6.3-6.9 HG13 ILE 56 - HB3 ARG 79 far 0 100 0 - 7.5-8.4 QG1 VAL 58 - HB3 ARG 79 far 0 100 0 - 8.3-8.8 QG2 ILE 93 - HB3 ARG 79 far 0 71 0 - 8.4-10.8 HG13 ILE 93 - HB3 ARG 79 far 0 84 0 - 8.6-11.5 QD2 LEU 27 - HB3 ARG 79 far 0 98 0 - 9.6-11.9 QD1 ILE 8 - HB3 ARG 79 far 0 99 0 - 9.6-10.1 QD2 LEU 6 - HB3 ARG 79 far 0 75 0 - 9.9-11.1 QD1 ILE 52 - HB3 ARG 79 far 0 88 0 - 9.9-11.7 QD1 LEU 42 - HB3 ARG 79 far 0 79 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 10909 from cnoeabs.peaks (0.73, 1.60, 31.20 ppm; 5.57 A): 2 out of 15 assignments used, quality = 1.00: QG2 VAL 78 + HB2 ARG 79 OK 99 100 100 100 4.9-5.3 4.3/7289=80, 9715/4.6=70...(8) QG1 VAL 78 + HB2 ARG 79 OK 82 93 90 98 5.8-6.1 4.3/7289=80, ~10908=43...(9) HG3 ARG 81 - HB2 ARG 79 far 10 98 10 - 5.4-9.5 QG1 VAL 54 - HB2 ARG 79 far 0 68 0 - 5.9-6.9 QD1 ILE 56 - HB2 ARG 79 far 0 93 0 - 6.2-6.9 QG1 VAL 5 - HB2 ARG 79 far 0 100 0 - 6.5-8.4 HG13 ILE 56 - HB2 ARG 79 far 0 98 0 - 7.5-8.5 QD1 LEU 64 - HB2 ARG 79 far 0 96 0 - 7.6-8.1 QG2 ILE 93 - HB2 ARG 79 far 0 87 0 - 8.9-10.9 QD1 ILE 52 - HB2 ARG 79 far 0 73 0 - 9.1-10.6 QG1 VAL 58 - HB2 ARG 79 far 0 100 0 - 9.1-9.9 HG13 ILE 93 - HB2 ARG 79 far 0 95 0 - 9.2-12.1 QD2 LEU 27 - HB2 ARG 79 far 0 100 0 - 9.2-11.3 QD1 LEU 42 - HB2 ARG 79 far 0 61 0 - 9.6-10.3 QD2 LEU 6 - HB2 ARG 79 far 0 57 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 10910 from cnoeabs.peaks (0.73, 3.07, 43.09 ppm; 4.57 A): 0 out of 31 assignments used, quality = 0.00: QG1 VAL 78 - HD2 ARG 79 far 5 99 5 - 4.9-7.8 QG2 VAL 78 - HD2 ARG 79 far 5 97 5 - 4.6-6.5 QG1 VAL 54 - HD2 ARG 79 far 0 84 0 - 4.9-9.2 QG1 VAL 54 - HD3 ARG 79 far 0 84 0 - 5.4-9.2 QG2 VAL 78 - HD3 ARG 79 far 0 97 0 - 5.5-7.0 QD1 ILE 56 - HD2 ARG 79 far 0 81 0 - 5.7-8.6 QG1 VAL 5 - HD3 ARG 79 far 0 99 0 - 5.8-9.7 HG3 ARG 81 - HD3 ARG 79 far 0 100 0 - 6.0-11.0 HG3 ARG 81 - HD2 ARG 79 far 0 100 0 - 6.0-10.9 QG1 VAL 78 - HD3 ARG 79 far 0 99 0 - 6.2-8.0 QG1 VAL 5 - HD2 ARG 79 far 0 99 0 - 6.6-9.9 QD1 ILE 56 - HD3 ARG 79 far 0 80 0 - 6.7-9.1 QD1 LEU 27 - HD3 ARG 79 far 0 71 0 - 7.1-10.2 HG13 ILE 56 - HD2 ARG 79 far 0 91 0 - 7.1-11.0 QD2 LEU 42 - HD2 ARG 79 far 0 75 0 - 7.2-10.5 QD1 LEU 6 - HD2 ARG 79 far 0 68 0 - 7.4-11.3 QD1 LEU 64 - HD2 ARG 79 far 0 100 0 - 7.5-9.2 HG13 ILE 56 - HD3 ARG 79 far 0 91 0 - 7.8-11.3 QD1 LEU 6 - HD3 ARG 79 far 0 67 0 - 8.0-11.5 QD1 LEU 64 - HD3 ARG 79 far 0 100 0 - 8.1-9.3 QG2 ILE 93 - HD3 ARG 79 far 0 96 0 - 8.1-11.2 QD1 LEU 27 - HD2 ARG 79 far 0 71 0 - 8.2-10.7 QD2 LEU 42 - HD3 ARG 79 far 0 75 0 - 8.3-10.6 QD2 LEU 27 - HD3 ARG 79 far 0 100 0 - 8.5-11.3 QD1 ILE 93 - HD3 ARG 79 far 0 69 0 - 9.1-12.2 HG13 ILE 93 - HD3 ARG 79 far 0 99 0 - 9.2-12.4 QG1 VAL 58 - HD2 ARG 79 far 0 96 0 - 9.2-11.1 QD2 LEU 27 - HD2 ARG 79 far 0 100 0 - 9.3-12.0 QG2 ILE 93 - HD2 ARG 79 far 0 96 0 - 9.4-11.6 QG1 VAL 58 - HD3 ARG 79 far 0 96 0 - 9.4-11.7 QD1 ILE 8 - HD2 ARG 79 far 0 84 0 - 10.0-12.6 Violated in 4 structures by 0.02 A. Peak 10911 from cnoeabs.peaks (0.99, 3.07, 43.09 ppm; 5.69 A): 0 out of 9 assignments used, quality = 0.00: HB3 LEU 55 - HD2 ARG 79 far 7 65 10 - 4.9-8.3 HG LEU 55 - HD2 ARG 79 far 4 82 5 - 5.4-8.8 HG LEU 55 - HD3 ARG 79 far 4 82 5 - 4.5-8.7 HB3 LEU 55 - HD3 ARG 79 far 3 65 5 - 3.9-8.4 QG2 THR 80 - HD2 ARG 79 far 0 99 0 - 6.3-8.1 QG2 THR 80 - HD3 ARG 79 far 0 98 0 - 7.0-8.6 QG1 VAL 83 - HD3 ARG 79 far 0 93 0 - 9.4-11.2 QG2 VAL 83 - HD3 ARG 79 far 0 80 0 - 9.8-12.1 QG1 VAL 83 - HD2 ARG 79 far 0 93 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 10912 from cnoeabs.peaks (6.96, 3.07, 43.09 ppm; 4.41 A): 2 out of 2 assignments used, quality = 0.98: QE PHE 96 + HD3 ARG 79 OK 89 100 95 93 2.1-4.8 2.2/9700=81, ~8705=18...(12) QE PHE 96 + HD2 ARG 79 OK 79 100 90 88 2.5-5.5 ~9700=57, ~8705=18...(13) 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 1 assignment used, quality = 1.00: H ILE 56 + QG2 THR 80 OK 100 100 100 100 3.7-4.1 9299/3.2=69, 3.8/9729=65...(15) Violated in 0 structures by 0.00 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 4.9-5.2 4.1/9734=78, 4.4/9729=75...(9) H ASP 77 - QG2 THR 80 far 0 95 0 - 9.2-10.1 H VAL 5 - QG2 THR 80 far 0 98 0 - 9.8-10.2 Violated in 1 structures by 0.00 A. Peak 10916 from cnoeabs.peaks (3.78, 3.68, 69.77 ppm; 4.80 A increased from 4.27 A): 2 out of 2 assignments used, quality = 0.96: HA LYS 68 + HB THR 80 OK 84 88 95 100 4.3-5.4 10260/2.1=74...(16) HA LEU 64 + HB THR 80 OK 73 73 100 100 3.7-4.7 4.0/9724=76, 9476/2.1=60...(13) Violated in 0 structures by 0.00 A. Peak 10917 from cnoeabs.peaks (0.41, 0.98, 22.13 ppm; 4.19 A): 0 out of 2 assignments used, quality = 0.00: QD1 LEU 55 - QG2 THR 80 far 0 90 0 - 5.0-5.3 HG2 ARG 81 - QG2 THR 80 far 0 97 0 - 5.0-7.0 Violated in 20 structures by 0.55 A. Peak 10923 from cnoeabs.peaks (5.33, 0.74, 25.88 ppm; 6.33 A increased from 5.63 A): 1 out of 1 assignment used, quality = 1.00: HA THR 80 + HG3 ARG 81 OK 100 100 100 100 5.3-6.3 7311/4.9=94, 9714/3.9=80...(7) Violated in 0 structures by 0.00 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 3.7-6.6 7311/4.9=93...(9) Violated in 6 structures by 0.01 A. Peak 10925 from cnoeabs.peaks (7.48, 1.73, 42.21 ppm; 5.26 A): 1 out of 2 assignments used, quality = 0.97: HZ2 TRP 92 + HD2 ARG 81 OK 97 99 100 98 2.3-4.0 2.8/9975=65, 10003=46...(8) H ARG 91 - HD2 ARG 81 far 0 99 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 10927 from cnoeabs.peaks (8.54, 1.06, 25.00 ppm; 5.90 A): 2 out of 2 assignments used, quality = 1.00: H VAL 58 + HG2 LYS 82 OK 100 100 100 100 4.4-4.7 6953/9760=94...(8) H ASP 61 + HG2 LYS 82 OK 61 61 100 100 4.8-5.6 3.6/10934=81...(10) Violated in 0 structures by 0.00 A. Peak 10928 from cnoeabs.peaks (7.74, 1.06, 25.00 ppm; 5.82 A): 2 out of 2 assignments used, quality = 1.00: H ASN 60 + HG2 LYS 82 OK 100 100 100 100 3.2-3.5 9418=100, 9417/1.8=98...(16) H LEU 64 + HG2 LYS 82 OK 88 93 100 95 4.7-5.4 4.5/9761=74...(6) Violated in 0 structures by 0.00 A. Peak 10929 from cnoeabs.peaks (7.73, 1.14, 25.00 ppm; 5.54 A): 1 out of 4 assignments used, quality = 1.00: H ASN 60 + HG3 LYS 82 OK 100 100 100 100 3.9-4.7 9417=99, 9418/1.8=85...(13) H LEU 64 - HG3 LYS 82 far 0 99 0 - 6.4-6.9 H SER 85 - HG3 LYS 82 far 0 59 0 - 6.7-7.2 H GLU 37 - HG2 LYS 40 far 0 45 0 - 7.0-7.7 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 4.2-5.3 3.0/10581=89...(12) H LEU 64 + HD2 LYS 82 OK 78 81 100 96 4.4-5.6 4.5/10940=69...(7) H GLU 37 + HD2 LYS 40 OK 70 99 70 100 4.8-6.8 ~1782=56, ~1794=55...(19) H GLU 37 + HD3 LYS 40 OK 45 99 45 100 5.2-7.4 ~1782=56, ~1794=55...(18) Violated in 0 structures by 0.00 A. Peak 10931 from cnoeabs.peaks (8.57, 1.57, 28.90 ppm; 5.55 A): 1 out of 2 assignments used, quality = 1.00: H ASP 61 + HD3 LYS 82 OK 100 100 100 100 3.3-4.0 9443=99, 9444/1.8=90...(12) H VAL 58 - HD3 LYS 82 far 0 81 0 - 6.7-7.2 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 = 0.97: H GLU 62 + HD3 LYS 82 OK 94 95 100 99 5.5-6.3 3.6/9767=84...(5) H GLU 63 + HD3 LYS 82 OK 49 100 55 90 6.1-7.0 9456/9767=64...(4) Violated in 0 structures by 0.00 A. Peak 10933 from cnoeabs.peaks (7.71, 1.57, 28.90 ppm; 5.73 A): 2 out of 3 assignments used, quality = 0.99: H ASN 60 + HD3 LYS 82 OK 95 95 100 100 3.8-4.5 3.0/10938=97...(13) H LEU 64 + HD3 LYS 82 OK 79 100 80 99 5.2-6.2 9470/9767=72...(9) H SER 85 - HD3 LYS 82 far 0 85 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 10934 from cnoeabs.peaks (4.81, 1.06, 25.00 ppm; 4.90 A): 1 out of 2 assignments used, quality = 1.00: HA ASN 60 + HG2 LYS 82 OK 100 100 100 100 3.9-4.4 10938/2.9=79...(11) HA VAL 83 - HG2 LYS 82 far 10 98 10 - 5.2-5.7 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 2.9-3.8 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 ASN 60 + HG3 LYS 82 OK 100 100 100 100 4.2-4.8 10938/2.9=87...(10) HA VAL 83 + HG3 LYS 82 OK 99 99 100 100 3.9-4.5 3.0/7347=89, ~7346=66...(10) Violated in 0 structures by 0.00 A. Peak 10937 from cnoeabs.peaks (5.06, 1.14, 25.00 ppm; 5.17 A): 1 out of 1 assignment used, quality = 1.00: HA SER 59 + HG3 LYS 82 OK 100 100 100 100 3.1-3.8 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 = 0.90: HA ASN 60 + HD3 LYS 82 OK 90 96 100 94 2.9-3.2 10581/1.8=53...(10) HA VAL 83 - HD3 LYS 82 far 0 100 0 - 6.3-6.9 Violated in 0 structures by 0.00 A. Peak 10940 from cnoeabs.peaks (0.85, 1.46, 28.90 ppm; 4.81 A): 1 out of 14 assignments used, quality = 0.99: QD2 LEU 64 + HD2 LYS 82 OK 99 99 100 100 2.8-3.7 10252/3.5=78...(14) QG2 VAL 32 - HD3 LYS 40 far 0 86 0 - 5.6-7.3 QG2 VAL 32 - HD2 LYS 40 far 0 87 0 - 5.8-7.7 QD1 LEU 57 - HB2 ARG 91 far 0 23 0 - 7.2-7.7 QD2 LEU 38 - HD3 LYS 40 far 0 71 0 - 7.2-9.0 QD2 LEU 38 - HD2 LYS 40 far 0 72 0 - 7.4-9.0 QD1 LEU 57 - HD2 LYS 82 far 0 82 0 - 7.6-8.0 QD1 LEU 38 - HD3 LYS 40 far 0 99 0 - 7.7-9.0 QD1 LEU 38 - HD2 LYS 40 far 0 99 0 - 7.8-8.9 QD1 LEU 103 - HB2 ARG 91 far 0 32 0 - 8.7-22.4 QD1 LEU 70 - HD2 LYS 40 far 0 58 0 - 8.9-10.2 QD1 LEU 70 - HD3 LYS 40 far 0 58 0 - 9.3-11.0 QD2 LEU 103 - HB2 ARG 91 far 0 23 0 - 9.6-21.0 HG13 ILE 8 - HD2 LYS 82 far 0 71 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 10941 from cnoeabs.peaks (0.66, 1.46, 28.90 ppm; 5.71 A): 1 out of 7 assignments used, quality = 0.94: QG2 VAL 58 + HD2 LYS 82 OK 94 94 100 100 3.1-4.0 9763/2.9=93, 9760/2.9=91...(11) QD2 LEU 6 - HD3 LYS 40 far 0 77 0 - 6.2-7.7 QD2 LEU 6 - HD2 LYS 40 far 0 78 0 - 6.8-8.4 QD1 LEU 42 - HD2 LYS 40 far 0 74 0 - 8.4-9.2 QD1 LEU 42 - HD3 LYS 40 far 0 73 0 - 8.5-9.4 QD1 LEU 14 - HB2 ARG 91 far 0 28 0 - 8.9-9.7 QD1 LEU 14 - HD2 LYS 82 far 0 92 0 - 9.4-9.8 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 2 assignments used, quality = 0.98: QD2 LEU 64 + HD3 LYS 82 OK 98 98 100 100 4.2-5.1 10940/1.8=87...(13) QD1 LEU 57 - HD3 LYS 82 far 0 90 0 - 7.9-8.2 Violated in 1 structures by 0.00 A. Peak 10943 from cnoeabs.peaks (3.66, 1.01, 23.61 ppm; 5.89 A): 1 out of 4 assignments used, quality = 1.00: HA GLU 88 + QG1 VAL 83 OK 100 100 100 100 3.8-4.2 3.0/9813=98, 3.6/9794=91...(24) HA LYS 90 - QG1 VAL 83 far 0 100 0 - 6.8-7.2 HB THR 80 - QG1 VAL 83 far 0 95 0 - 7.7-8.4 HA LEU 14 - QG1 VAL 83 far 0 92 0 - 7.8-8.3 Violated in 0 structures by 0.00 A. Peak 10945 from cnoeabs.peaks (3.19, 1.01, 23.61 ppm; 6.02 A): 1 out of 1 assignment used, quality = 1.00: HB3 TRP 92 + QG1 VAL 83 OK 100 100 100 100 4.3-4.8 3.9/9796=96...(10) 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 3.6-4.1 3.9/9796=95...(12) HB2 PHE 96 - QG1 VAL 83 far 0 100 0 - 8.3-9.4 HD3 ARG 79 - QG1 VAL 83 far 0 79 0 - 9.4-11.2 HD2 ARG 79 - QG1 VAL 83 far 0 75 0 - 10.0-11.1 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 3 assignments used, quality = 0.92: HB3 LYS 82 + QG2 THR 84 OK 92 98 100 94 4.5-4.8 3.5/9838=70...(3) HB2 GLU 88 - QG2 THR 84 far 0 71 0 - 6.0-6.3 HB3 GLU 63 - QG2 THR 84 far 0 100 0 - 7.5-7.8 Violated in 0 structures by 0.00 A. Peak 10948 from cnoeabs.peaks (0.97, 1.24, 21.00 ppm; 4.77 A increased from 4.49 A): 2 out of 4 assignments used, quality = 0.99: QG2 VAL 83 + QG2 THR 84 OK 99 99 100 100 4.5-4.7 4.0/7365=71, 2.1/9839=69...(6) QG1 VAL 83 + QG2 THR 84 OK 60 61 100 97 4.8-5.1 4.0/7365=71, 2.1/9839=69...(6) HB2 ARG 81 - QG2 THR 84 far 0 57 0 - 7.7-9.3 QG2 THR 80 - QG2 THR 84 far 0 99 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 10953 from cnoeabs.peaks (8.07, 2.10, 31.71 ppm; 5.02 A): 3 out of 8 assignments used, quality = 0.97: H LYS 90 + HB3 PRO 86 OK 92 92 100 100 4.7-5.1 9944=79, 9950/2.3=69...(13) H GLU 17 + HB2 PRO 86 OK 43 92 100 47 4.3-4.7 6258/12333=29...(4) H GLU 17 + HB3 PRO 86 OK 38 100 100 39 4.7-5.2 6258/12333=26...(3) H ILE 15 - HB2 PRO 86 far 0 90 0 - 5.4-5.8 H LYS 90 - HB2 PRO 86 far 0 80 0 - 5.6-6.0 H LYS 13 - HB2 PRO 86 far 0 90 0 - 6.5-7.2 H ILE 15 - HB3 PRO 86 far 0 99 0 - 6.9-7.3 H LYS 13 - HB3 PRO 86 far 0 99 0 - 8.0-8.8 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 4.2-4.4 9898=98, 9849/3.0=83...(12) 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 11 assignments used, quality = 0.99: QD1 LEU 14 + HB2 SER 85 OK 95 96 100 100 4.5-4.7 9867/3.0=68...(13) QD2 LEU 14 + HB3 SER 9 OK 65 65 100 100 1.9-2.3 8414/1.8=90, 10408=75...(22) QD1 LEU 14 + HB3 SER 9 OK 65 65 100 100 3.8-4.6 2.1/10408=69, ~8414=66...(14) QG1 VAL 58 - HB3 SER 9 far 0 52 0 - 6.3-7.9 QD1 ILE 8 - HB3 SER 9 far 0 65 0 - 6.6-7.7 QG2 VAL 58 - HB3 SER 9 far 0 63 0 - 6.7-8.6 QD2 LEU 14 - HB2 SER 85 far 0 96 0 - 6.9-7.2 QD1 LEU 29 - HB3 SER 9 far 0 34 0 - 8.0-8.6 QG1 VAL 5 - HB3 SER 9 far 0 44 0 - 8.3-9.3 QD2 LEU 6 - HB3 SER 9 far 0 71 0 - 9.2-9.8 QG2 VAL 58 - HB2 SER 85 far 0 94 0 - 9.8-10.2 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 6 assignments used, quality = 1.00: HG2 PRO 86 + HA SER 85 OK 100 100 100 100 4.5-4.6 1.8/9891=74, 9875/3.0=63...(10) HD3 LYS 90 - HA SER 85 far 0 100 0 - 7.4-9.4 HD2 LYS 13 - HA SER 85 far 0 100 0 - 8.2-10.7 HD3 LYS 13 - HA SER 85 far 0 100 0 - 8.3-11.1 HG12 ILE 15 - HA SER 85 far 0 100 0 - 9.2-11.2 HB3 ARG 91 - HA SER 85 far 0 96 0 - 9.8-10.3 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 8 assignments used, quality = 0.00: HG3 LYS 13 - HB2 PRO 86 far 0 96 0 - 7.0-7.8 HG2 LYS 20 - HB3 PRO 86 far 0 73 0 - 7.3-10.8 HG2 LYS 20 - HB2 PRO 86 far 0 85 0 - 7.7-11.1 HG3 LYS 13 - HB3 PRO 86 far 0 85 0 - 8.3-9.2 HB2 ARG 91 - HB3 PRO 86 far 0 91 0 - 8.6-9.2 HG LEU 57 - HB2 PRO 86 far 0 93 0 - 9.2-10.5 HG LEU 57 - HB3 PRO 86 far 0 81 0 - 9.5-10.7 HB2 ARG 91 - HB2 PRO 86 far 0 100 0 - 9.9-10.5 Violated in 20 structures by 1.04 A. Peak 10958 from cnoeabs.peaks (1.55, 2.12, 31.71 ppm; 5.52 A): 3 out of 8 assignments used, quality = 0.97: HB2 LEU 14 + HB2 PRO 86 OK 79 79 100 100 3.4-3.8 ~8411=66, ~8407=65...(37) HB2 LEU 14 + HB3 PRO 86 OK 67 67 100 100 5.2-5.5 ~8411=66, ~8407=65...(39) HG3 LYS 90 + HB3 PRO 86 OK 59 60 100 97 4.8-5.4 4.9/9944=42...(14) HG3 LYS 90 - HB2 PRO 86 far 0 71 0 - 5.9-6.7 HG2 ARG 19 - HB2 PRO 86 far 0 70 0 - 8.9-11.5 HB ILE 7 - HB2 PRO 86 far 0 79 0 - 9.1-9.9 HG2 ARG 19 - HB3 PRO 86 far 0 58 0 - 9.6-12.1 HB ILE 7 - HB3 PRO 86 far 0 67 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 10959 from cnoeabs.peaks (1.50, 1.70, 27.00 ppm; 3.44 A): 0 out of 10 assignments used, quality = 0.00: HB2 LEU 14 - HG2 PRO 86 far 0 56 0 - 4.4-5.8 HG2 LYS 73 - HG LEU 70 far 0 100 0 - 4.5-5.1 HG3 LYS 66 - HG LEU 70 far 0 100 0 - 5.3-6.1 HG2 LYS 66 - HG LEU 70 far 0 100 0 - 5.6-6.5 HG LEU 38 - HG LEU 70 far 0 63 0 - 5.6-6.7 HG3 LYS 13 - HG2 PRO 86 far 0 75 0 - 6.9-8.6 HG2 LYS 20 - HG2 PRO 86 far 0 38 0 - 9.3-12.5 HB2 ARG 91 - HG2 PRO 86 far 0 72 0 - 9.4-11.2 HG LEU 64 - HG LEU 70 far 0 96 0 - 9.7-10.5 HG12 ILE 56 - HG LEU 70 far 0 68 0 - 9.7-10.9 Violated in 20 structures by 0.48 A. Peak 10962 from cnoeabs.peaks (8.05, 4.22, 57.31 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: H LYS 90 + HA ASP 87 OK 100 100 100 100 3.8-4.0 9951=99, 7417/9908=66...(15) H GLU 17 - HA ASP 87 far 0 96 0 - 8.3-8.8 Violated in 1 structures by 0.00 A. Peak 10964 from cnoeabs.peaks (4.60, 2.50, 40.10 ppm; 5.57 A increased from 4.45 A): 2 out of 4 assignments used, quality = 0.98: HB THR 34 + HB2 ASP 36 OK 86 96 90 100 3.9-6.1 8794/3.6=93, 8822/4.0=70...(6) HB THR 34 + HB3 ASP 36 OK 85 95 90 100 3.7-6.0 8794/3.6=93, 8822/4.0=70...(6) HA THR 84 - HB2 ASP 87 far 0 93 0 - 8.6-10.2 HA THR 84 - HB3 ASP 87 far 0 93 0 - 8.9-10.8 Violated in 0 structures by 0.00 A. Peak 10965 from cnoeabs.peaks (1.98, 2.50, 40.10 ppm; 4.47 A): 1 out of 11 assignments used, quality = 0.38: HB2 GLU 35 + HB2 ASP 36 OK 38 78 55 87 4.3-6.0 6558/3.6=61...(4) HG3 GLU 88 - HB2 ASP 87 poor 15 59 25 - 3.7-6.7 HB2 GLU 37 - HB2 ASP 36 far 5 95 5 - 4.7-6.6 HG3 GLU 88 - HB3 ASP 87 far 3 59 5 - 4.7-6.5 HB2 GLU 35 - HB3 ASP 36 far 0 77 0 - 4.8-6.0 HB2 GLU 37 - HB3 ASP 36 far 0 95 0 - 4.8-6.0 HB2 GLU 62 - HB2 ASP 61 far 0 45 0 - 5.7-6.5 HB3 GLU 17 - HB2 ASP 87 far 0 87 0 - 7.4-8.4 QE MET 74 - HB2 ASP 36 far 0 86 0 - 8.0-9.5 HB3 GLU 17 - HB3 ASP 87 far 0 87 0 - 8.1-8.8 QE MET 74 - HB3 ASP 36 far 0 85 0 - 8.2-9.3 Violated in 14 structures by 0.45 A. Peak 10967 from cnoeabs.peaks (2.11, 4.22, 57.31 ppm; 4.13 A): 1 out of 6 assignments used, quality = 0.99: HB3 PRO 86 + HA ASP 87 OK 99 100 100 100 4.0-4.1 7378/2.9=73, 4.9=58...(20) HG2 GLU 88 - HA ASP 87 far 0 71 0 - 5.1-7.0 HB2 PRO 86 - HA ASP 87 far 0 99 0 - 5.5-5.6 HB3 GLU 88 - HA ASP 87 far 0 75 0 - 6.6-6.6 HB VAL 83 - HA ASP 87 far 0 100 0 - 7.6-7.9 QE MET 21 - HA ASP 87 far 0 99 0 - 7.8-8.3 Violated in 0 structures by 0.00 A. Peak 10968 from cnoeabs.peaks (2.48, 3.66, 58.73 ppm; 4.85 A): 3 out of 5 assignments used, quality = 1.00: HD2 ARG 91 + HA GLU 88 OK 100 100 100 100 3.1-4.3 9961=78, 3.5/4034=72...(17) HB3 ASP 87 + HA GLU 88 OK 96 96 100 99 4.1-4.6 3.0/9904=66, 6381/3.0=40...(16) HB2 ASP 87 + HA GLU 88 OK 57 96 60 99 4.2-5.7 3.0/9904=66, 6381/3.0=40...(14) HB2 ASP 87 - HA LEU 14 far 0 50 0 - 7.9-8.5 HB3 ASP 87 - HA LEU 14 far 0 50 0 - 8.3-9.6 Violated in 0 structures by 0.00 A. Peak 10970 from cnoeabs.peaks (3.89, 3.66, 58.73 ppm; 5.01 A increased from 4.45 A): 1 out of 7 assignments used, quality = 0.98: HA ALA 89 + HA GLU 88 OK 98 98 100 100 4.8-4.9 10306/3.0=73, ~7397=52...(14) HB2 SER 85 - HA GLU 88 far 5 96 5 - 5.2-6.4 HA ARG 91 - HA GLU 88 far 0 100 0 - 5.4-5.7 HB3 SER 9 - HA LEU 14 far 0 27 0 - 6.0-6.9 HA LYS 12 - HA LEU 14 far 0 33 0 - 6.4-6.7 HB2 SER 85 - HA LEU 14 far 0 50 0 - 7.5-8.2 HA ALA 89 - HA LEU 14 far 0 51 0 - 7.8-8.2 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 = 0.93: HA PRO 86 + QB ALA 89 OK 93 99 100 94 2.6-3.0 9880=50, 9923/7407=45...(12) 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 4.8-4.9 10970=97, 3.0/10306=80...(14) HA LYS 90 + HA ALA 89 OK 98 98 100 100 4.8-4.8 4.8=100 HA LEU 14 - HA ALA 89 far 0 85 0 - 7.8-8.2 Violated in 0 structures by 0.00 A. Peak 10973 from cnoeabs.peaks (1.82, 3.90, 55.61 ppm; 4.92 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLU 88 + HA ALA 89 OK 99 99 100 100 4.0-4.4 7402/3.0=87...(16) HB3 LEU 57 + HA ALA 89 OK 94 100 95 100 4.9-5.2 3.1/10698=79...(11) HB ILE 93 - HA ALA 89 far 0 97 0 - 5.5-5.9 HB2 LYS 90 - HA ALA 89 far 0 100 0 - 5.8-5.9 HB3 LYS 90 - HA ALA 89 far 0 95 0 - 6.6-6.6 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 4.4-4.8 2.1/9824=96, 2.1/9825=90...(16) HB3 GLU 88 + HA ALA 89 OK 79 79 100 100 4.1-4.6 10306=71, ~7402=57...(15) HG2 GLU 88 - HA ALA 89 far 0 68 0 - 6.2-6.5 QE MET 21 - HA ALA 89 far 0 99 0 - 6.9-7.6 HB3 PRO 86 - HA ALA 89 far 0 100 0 - 7.2-7.6 HB2 PRO 86 - HA ALA 89 far 0 98 0 - 7.3-7.8 Violated in 0 structures by 0.00 A. Peak 10978 from cnoeabs.peaks (8.13, 3.67, 60.35 ppm; 5.43 A): 1 out of 2 assignments used, quality = 1.00: H TRP 92 + HA LYS 90 OK 100 100 100 100 4.0-4.4 7448/3.6=92, 7453/3.0=88...(9) H ASP 87 - HA LYS 90 far 0 100 0 - 7.5-7.7 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 3.9-4.4 7501=98, 7507/4129=74...(13) H GLU 23 - HA LYS 90 far 0 90 0 - 8.0-8.4 H SER 97 - HA LYS 90 far 0 61 0 - 8.2-8.8 Violated in 0 structures by 0.00 A. Peak 10992 from cnoeabs.peaks (4.04, 1.08, 26.80 ppm; 5.89 A): 4 out of 5 assignments used, quality = 0.94: HA GLU 75 + HG12 ILE 76 OK 59 59 100 100 4.3-4.5 3.5/7256=94, ~9888=67...(10) HA ARG 46 + HG12 ILE 76 OK 57 57 100 100 4.7-5.9 ~9630=70, 4.1/10176=69...(18) HA GLU 95 + HG2 ARG 91 OK 54 97 65 86 5.4-7.0 4.1/10040=55...(6) HB2 SER 49 + HG12 ILE 76 OK 21 84 25 100 5.5-7.2 9065/3.2=79, 9064/1.8=78...(10) HA LEU 70 - HG12 ILE 76 far 0 88 0 - 6.9-7.8 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 16 assignments used, quality = 1.00: HG13 ILE 93 + HB3 TRP 92 OK 95 98 100 97 3.8-4.2 ~10997=61, 10019/9992=61...(8) QG1 VAL 5 + HB3 TRP 92 OK 93 100 100 93 4.9-5.5 8195/9992=76...(7) HG3 ARG 81 + HB3 TRP 92 OK 85 99 90 95 4.2-6.1 1.8/12215=63...(7) QG2 ILE 93 + HB3 TRP 92 OK 85 92 100 92 5.6-5.9 10014/9992=59, ~10997=52...(7) QD1 ILE 93 + HB3 TRP 92 OK 54 59 100 91 4.5-5.5 10997/1.8=40...(7) QD1 LEU 27 - HB3 TRP 92 far 0 61 0 - 7.1-7.7 QD2 LEU 27 - HB2 HIS 106 far 0 84 0 - 7.9-21.4 QD1 LEU 64 - HB3 TRP 92 far 0 99 0 - 8.2-8.7 QD2 LEU 14 - HB3 TRP 92 far 0 90 0 - 8.4-9.1 QG1 VAL 54 - HB3 TRP 92 far 0 75 0 - 8.4-9.3 QG1 VAL 58 - HB3 TRP 92 far 0 99 0 - 8.8-9.3 QD2 LEU 27 - HB3 TRP 92 far 0 100 0 - 9.5-10.1 QD1 ILE 56 - HB3 TRP 92 far 0 88 0 - 9.6-10.0 QG2 VAL 78 - HB3 TRP 92 far 0 99 0 - 9.7-10.5 QG2 VAL 78 - HB2 HIS 106 far 0 82 0 - 9.9-21.1 QD1 LEU 27 - HB2 HIS 106 far 0 45 0 - 9.9-21.1 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 3 assignments used, quality = 1.00: HG3 MET 21 + QD1 ILE 93 OK 99 99 100 100 4.0-4.8 1.8/10024=87...(22) HB3 MET 21 + QD1 ILE 93 OK 99 99 100 100 2.1-3.1 10013/3.1=74...(22) HG3 GLU 17 - QD1 ILE 93 far 0 91 0 - 6.7-7.3 Violated in 0 structures by 0.00 A. Peak 10997 from cnoeabs.peaks (3.08, 0.77, 14.14 ppm; 5.62 A): 1 out of 4 assignments used, quality = 0.91: HB2 TRP 92 + QD1 ILE 93 OK 91 92 100 99 3.6-4.8 4.5/4162=74...(10) HB2 PHE 96 - QD1 ILE 93 far 14 94 15 - 5.8-6.2 HD3 ARG 79 - QD1 ILE 93 far 0 100 0 - 9.1-12.2 HD3 ARG 30 - QD1 ILE 93 far 0 100 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 10998 from cnoeabs.peaks (3.84, 3.54, 66.22 ppm; 5.48 A): 2 out of 6 assignments used, quality = 0.99: HA ALA 22 + HA ILE 93 OK 98 99 100 99 5.3-5.8 8575/3.2=64...(10) HA LYS 94 + HA ILE 93 OK 79 79 100 100 4.7-4.8 3.6/7527=63, ~7507=58...(17) HA SER 97 - HA ILE 93 far 5 92 5 - 5.8-6.6 HA ARG 19 - HA ILE 93 far 0 82 0 - 8.6-9.4 HA2 GLY 101 - HA ILE 93 far 0 79 0 - 9.0-13.3 HA2 GLY 100 - HA ILE 93 far 0 79 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 10999 from cnoeabs.peaks (1.55, 2.04, 30.82 ppm; 6.30 A increased from 5.60 A): 1 out of 10 assignments used, quality = 0.57: HB ILE 7 + HG12 ILE 93 OK 57 87 100 66 5.7-6.0 8276/10023=51, 10196/10198=29 HG3 LYS 90 - HG12 ILE 93 far 0 61 0 - 7.2-7.8 HG2 ARG 19 - HG12 ILE 93 far 0 59 0 - 8.0-9.2 HG LEU 6 - HG12 ILE 93 far 0 91 0 - 8.7-9.5 HB2 LEU 3 - HG12 ILE 93 far 0 100 0 - 9.1-10.0 HG3 ARG 79 - HG12 ILE 93 far 0 99 0 - 9.1-12.6 HG2 ARG 79 - HG12 ILE 93 far 0 98 0 - 9.2-11.5 HG3 LYS 24 - HG12 ILE 93 far 0 61 0 - 9.5-11.9 HG12 ILE 56 - HG12 ILE 93 far 0 96 0 - 9.7-10.6 HB3 GLU 28 - HG12 ILE 93 far 0 95 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 11000 from cnoeabs.peaks (1.57, 0.75, 17.00 ppm; 4.99 A): 2 out of 13 assignments used, quality = 0.86: HG LEU 27 + QG2 ILE 93 OK 80 84 100 95 4.1-4.7 ~10485=41, 3.0/10326=38...(11) HB3 LEU 29 + QG2 ILE 93 OK 29 87 40 82 5.1-5.6 8571/11002=29, 10497=26...(8) HG3 LYS 90 - QG2 ILE 93 far 0 98 0 - 6.0-6.4 HD3 LYS 94 - QG2 ILE 93 far 0 84 0 - 6.1-7.5 HB2 LEU 3 - QG2 ILE 93 far 0 93 0 - 6.4-7.5 HG2 LYS 24 - QG2 ILE 93 far 0 97 0 - 6.7-8.0 HG2 ARG 19 - QG2 ILE 93 far 0 98 0 - 7.2-8.5 HB3 GLU 28 - QG2 ILE 93 far 0 99 0 - 7.9-8.7 HB2 ARG 79 - QG2 ILE 93 far 0 81 0 - 8.9-10.9 HG2 ARG 79 - QG2 ILE 93 far 0 61 0 - 9.0-10.5 HG3 ARG 79 - QG2 ILE 93 far 0 63 0 - 9.1-11.3 HD3 LYS 53 - QG2 ILE 93 far 0 92 0 - 9.5-10.6 HB2 ARG 30 - QG2 ILE 93 far 0 75 0 - 9.8-10.5 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 3.7-4.5 8562=93, 6319/8480=87...(19) H ALA 25 - QD1 ILE 93 far 10 98 10 - 5.9-6.9 H SER 85 - QD1 ILE 93 far 0 99 0 - 8.0-9.0 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 2.7-3.4 6351/10319=62...(21) H ILE 8 - QG2 ILE 93 far 0 91 0 - 9.5-9.9 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 4.1-4.4 2.9/10020=100...(12) H LEU 55 - QD1 ILE 93 far 0 94 0 - 7.3-8.2 Violated in 0 structures by 0.00 A. Peak 11004 from cnoeabs.peaks (8.81, 0.77, 14.14 ppm; 4.69 A): 1 out of 2 assignments used, quality = 0.99: H ALA 22 + QD1 ILE 93 OK 99 99 100 100 2.7-3.8 6353/10327=83...(24) H ILE 8 - QD1 ILE 93 far 0 99 0 - 7.3-7.7 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 4.2-4.7 6283/10020=96...(7) H LEU 57 - QD1 ILE 93 far 0 94 0 - 6.4-7.2 H VAL 5 - QD1 ILE 93 far 0 100 0 - 6.5-7.7 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 4.4-4.4 369/2.9=100, 8368/3.0=75...(7) HA ILE 8 - HA LYS 12 far 0 63 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 11009 from cnoeabs.peaks (0.82, 1.62, 29.36 ppm; 4.24 A increased from 3.77 A): 2 out of 27 assignments used, quality = 0.90: QD2 LEU 70 + HD3 LYS 39 OK 79 84 100 94 3.3-4.5 10569/3.0=56...(11) QD2 LEU 70 + HD2 LYS 39 OK 50 54 100 94 2.1-4.4 10569/3.0=56...(11) QD1 LEU 70 - HD2 LYS 39 poor 20 57 35 - 3.8-5.6 QD1 LEU 70 - HD3 LYS 39 far 0 88 0 - 5.3-6.2 QD1 ILE 76 - HD2 LYS 39 far 0 48 0 - 6.3-8.1 QD1 ILE 76 - HD3 LYS 39 far 0 78 0 - 6.3-7.4 QD2 LEU 38 - HD2 LYS 39 far 0 57 0 - 7.6-8.6 QD2 LEU 57 - HD3 LYS 68 far 0 45 0 - 8.3-10.3 QD1 LEU 70 - HD2 LYS 68 far 0 56 0 - 8.3-9.0 QD1 LEU 70 - HD3 LYS 68 far 0 58 0 - 8.4-9.1 QD2 LEU 57 - HD2 LYS 68 far 0 43 0 - 8.6-11.3 QG2 VAL 32 - HD2 LYS 39 far 0 54 0 - 8.7-9.1 QD1 LEU 57 - HD3 LYS 94 far 0 66 0 - 8.7-11.4 QD2 LEU 38 - HD3 LYS 39 far 0 88 0 - 8.7-9.3 QD2 LEU 38 - HD3 LYS 68 far 0 58 0 - 9.2-10.5 QD1 LEU 57 - HD2 LYS 94 far 0 99 0 - 9.3-11.6 QD2 LEU 38 - HD2 LYS 68 far 0 56 0 - 9.3-10.8 QD1 LEU 57 - HD3 LYS 68 far 0 57 0 - 9.5-11.4 QD2 LEU 70 - HD3 LYS 68 far 0 55 0 - 9.5-10.2 QD2 LEU 70 - HD2 LYS 68 far 0 52 0 - 9.6-10.0 QG2 VAL 32 - HD3 LYS 39 far 0 84 0 - 9.7-9.9 QD2 LEU 57 - HD3 LYS 94 far 0 53 0 - 9.8-12.0 QD1 LEU 57 - HD2 LYS 68 far 0 54 0 - 9.8-11.7 QD2 LEU 57 - HD2 LYS 94 far 0 87 0 - 9.8-12.0 QG2 ILE 8 - HD2 LYS 68 far 0 33 0 - 9.9-12.0 QD2 LEU 103 - HD3 LYS 94 far 0 67 0 - 9.9-20.4 QG2 ILE 8 - HD3 LYS 68 far 0 35 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 11010 from cnoeabs.peaks (0.75, 1.62, 29.36 ppm; 3.99 A): 1 out of 37 assignments used, quality = 0.20: QD1 LEU 64 + HD2 LYS 68 OK 20 53 40 97 3.4-5.5 2.1/10242=41, ~12320=29...(27) QD1 LEU 64 - HD3 LYS 68 poor 19 55 35 - 3.1-5.1 QG2 VAL 78 - HD3 LYS 68 far 0 37 0 - 5.9-7.5 QG2 ILE 93 - HD2 LYS 94 far 0 100 0 - 5.9-6.7 QG2 VAL 78 - HD2 LYS 68 far 0 35 0 - 6.0-7.6 QD1 ILE 93 - HD2 LYS 94 far 0 95 0 - 6.0-8.0 QD1 ILE 93 - HD3 LYS 94 far 0 60 0 - 6.0-8.5 QG2 ILE 93 - HD3 LYS 94 far 0 68 0 - 6.1-7.5 QG1 VAL 58 - HD3 LYS 68 far 0 36 0 - 6.2-8.4 QG1 VAL 58 - HD2 LYS 68 far 0 34 0 - 6.2-8.5 QD1 LEU 27 - HD2 LYS 94 far 0 96 0 - 6.9-8.8 QD2 LEU 42 - HD2 LYS 39 far 0 52 0 - 6.9-8.3 HG13 ILE 93 - HD3 LYS 94 far 0 66 0 - 7.2-10.0 QD2 LEU 42 - HD3 LYS 39 far 0 83 0 - 7.4-8.1 HG13 ILE 93 - HD2 LYS 94 far 0 99 0 - 7.6-9.6 QD1 LEU 27 - HD3 LYS 94 far 0 61 0 - 8.0-9.4 QG1 VAL 78 - HD3 LYS 68 far 0 57 0 - 8.3-9.9 QD2 LEU 27 - HD2 LYS 94 far 0 88 0 - 8.5-10.9 QG1 VAL 78 - HD2 LYS 68 far 0 55 0 - 8.5-10.1 QD1 LEU 6 - HD2 LYS 39 far 0 49 0 - 8.5-9.3 QG1 VAL 78 - HD2 LYS 39 far 0 56 0 - 8.8-10.8 QG2 VAL 78 - HD2 LYS 39 far 0 36 0 - 9.2-11.3 QD1 LEU 6 - HD3 LYS 39 far 0 79 0 - 9.2-9.7 HG13 ILE 56 - HD3 LYS 68 far 0 29 0 - 9.3-11.3 QG1 VAL 5 - HD3 LYS 94 far 0 50 0 - 9.4-11.5 HG3 ARG 81 - HD2 LYS 68 far 0 52 0 - 9.5-11.6 QG1 VAL 78 - HD3 LYS 39 far 0 87 0 - 9.5-10.5 HG3 ARG 81 - HD3 LYS 68 far 0 54 0 - 9.6-11.9 QG1 VAL 5 - HD2 LYS 94 far 0 84 0 - 9.6-10.8 QD2 LEU 42 - HD3 LYS 68 far 0 54 0 - 9.7-10.8 HG13 ILE 56 - HD2 LYS 68 far 0 28 0 - 9.7-11.3 QD2 LEU 27 - HD3 LYS 94 far 0 54 0 - 9.7-11.5 QD2 LEU 42 - HD2 LYS 68 far 0 51 0 - 9.8-10.8 QG2 ILE 8 - HD2 LYS 68 far 0 32 0 - 9.9-12.0 QG2 VAL 78 - HD3 LYS 39 far 0 61 0 - 9.9-11.0 QG2 ILE 8 - HD3 LYS 68 far 0 34 0 - 10.0-12.1 QG1 VAL 54 - HD3 LYS 68 far 0 56 0 - 10.0-11.8 Violated in 12 structures by 0.57 A. Peak 11012 from cnoeabs.peaks (1.33, 4.02, 59.37 ppm; 4.65 A): 2 out of 10 assignments used, quality = 0.99: HG2 LYS 94 + HA GLU 95 OK 98 99 100 100 3.2-4.5 7532/3.0=70, ~7533=47...(14) HG3 LYS 68 + HA GLU 69 OK 29 29 100 100 3.2-3.5 7127/3.0=72, ~7129=54...(21) QB ALA 67 - HA GLU 69 far 0 35 0 - 6.5-6.6 QB ALA 25 - HA GLU 95 far 0 99 0 - 6.5-7.1 QB ALA 89 - HA GLU 16 far 0 46 0 - 7.3-7.7 QB ALA 25 - HA LYS 20 far 0 56 0 - 7.4-7.9 HG LEU 14 - HA GLU 16 far 0 39 0 - 7.6-8.0 QB ALA 89 - HA LYS 20 far 0 56 0 - 8.7-9.3 HG2 LYS 39 - HA GLU 69 far 0 32 0 - 9.5-11.5 QB ALA 89 - HA GLU 95 far 0 99 0 - 9.9-10.3 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 22 assignments used, quality = 0.77: QG2 VAL 58 + HG2 GLU 63 OK 49 55 90 100 4.4-5.0 9380/3.0=75...(19) QD1 ILE 8 + HG2 GLU 63 OK 37 41 95 95 3.8-4.9 8308/3.0=44, ~10746=34...(9) QG1 VAL 58 + HG2 GLU 63 OK 29 29 100 100 3.8-4.5 2.1/10718=57, 10716=53...(19) QD1 LEU 29 - HG2 GLU 23 far 0 77 0 - 5.2-6.4 QD1 LEU 14 - HG2 GLU 17 far 0 53 0 - 5.6-6.8 QD2 LEU 14 - HG2 GLU 17 far 0 40 0 - 6.4-7.6 QG2 VAL 58 - HG2 GLU 62 far 0 54 0 - 7.1-8.1 QG1 VAL 58 - HG2 GLU 62 far 0 28 0 - 7.1-8.6 QD2 LEU 14 - HG3 GLU 16 far 0 37 0 - 7.2-8.2 QG2 VAL 58 - HG3 GLU 62 far 0 54 0 - 7.4-8.1 QD2 LEU 14 - HG2 GLU 63 far 0 42 0 - 7.5-9.5 QD1 ILE 8 - HG2 GLU 62 far 0 40 0 - 7.6-9.2 QG1 VAL 58 - HG3 GLU 62 far 0 28 0 - 7.8-8.6 QD1 LEU 29 - HG2 GLU 17 far 0 35 0 - 8.0-9.0 QD1 LEU 14 - HG3 GLU 16 far 0 49 0 - 8.1-9.3 QD1 ILE 8 - HG3 GLU 62 far 0 40 0 - 8.5-9.5 QD1 LEU 14 - HG2 GLU 63 far 0 56 0 - 8.6-10.3 QD1 ILE 56 - HG2 GLU 63 far 0 43 0 - 8.7-9.1 QD1 LEU 29 - HG3 GLU 16 far 0 32 0 - 8.7-9.3 QD1 LEU 29 - HG2 GLU 95 far 0 61 0 - 9.0-12.0 QD2 LEU 6 - HG2 GLU 63 far 0 56 0 - 9.8-11.0 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): 0 out of 12 assignments used, quality = 0.00: HA LYS 94 - HA GLU 95 far 0 100 0 - 4.7-4.8 HA LYS 12 - HA GLU 16 far 0 45 0 - 5.6-6.1 HA ARG 91 - HA GLU 95 far 0 90 0 - 5.8-6.6 HA ALA 71 - HA GLU 69 far 0 29 0 - 6.6-6.9 HA ALA 22 - HA LYS 20 far 0 28 0 - 6.6-6.9 HA ALA 67 - HA GLU 69 far 0 33 0 - 6.7-6.9 HA2 GLY 101 - HA GLU 95 far 0 100 0 - 8.5-11.8 HA2 GLY 100 - HA GLU 95 far 0 100 0 - 8.5-9.4 HB2 SER 102 - HA GLU 95 far 0 81 0 - 8.7-14.6 HA3 GLY 101 - HA GLU 95 far 0 82 0 - 9.1-11.0 HA ALA 22 - HA GLU 16 far 0 22 0 - 9.7-10.6 HA ALA 22 - HA GLU 95 far 0 59 0 - 10.0-10.9 Violated in 20 structures by 0.44 A. Peak 11015 from cnoeabs.peaks (7.42, 2.52, 36.47 ppm; 5.96 A): 1 out of 2 assignments used, quality = 0.98: HE3 TRP 92 + HG3 GLU 95 OK 98 99 100 99 3.2-6.0 12282/2.9=76...(4) H ALA 89 - HG3 GLU 95 far 0 100 0 - 8.8-10.9 Violated in 3 structures by 0.00 A. Peak 11016 from cnoeabs.peaks (6.94, 4.51, 59.61 ppm; 4.87 A increased from 4.33 A): 1 out of 1 assignment used, quality = 0.95: QE PHE 96 + HA PHE 96 OK 95 96 100 100 4.4-4.8 2.2/4318=98, 5.6=64...(7) Violated in 0 structures by 0.00 A. Peak 11022 from cnoeabs.peaks (3.81, 4.19, 57.07 ppm; 5.40 A): 1 out of 2 assignments used, quality = 1.00: HA SER 97 + HA GLU 98 OK 100 100 100 100 4.7-4.9 3.0/11023=85...(11) HB3 SER 102 - HA GLU 98 far 0 100 0 - 7.3-13.0 Violated in 0 structures by 0.00 A. Peak 11023 from cnoeabs.peaks (4.00, 4.19, 57.07 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.83: HB3 SER 97 + HA GLU 98 OK 83 97 100 85 3.8-4.4 3.0/11022=46...(7) HA GLU 95 - HA GLU 98 far 0 85 0 - 5.3-6.1 Violated in 2 structures by 0.00 A. Peak 11024 from cnoeabs.peaks (2.96, 2.24, 36.00 ppm; 4.88 A): 1 out of 14 assignments used, quality = 0.85: HE3 LYS 90 + HG2 GLU 17 OK 85 85 100 100 2.4-4.6 9045/1.8=83, ~12234=50...(19) HE3 LYS 13 - HG2 GLU 17 far 15 100 15 - 4.3-9.6 HE2 LYS 13 - HG2 GLU 17 far 10 100 10 - 4.6-9.8 HE3 LYS 24 - HG2 GLU 23 far 3 54 5 - 4.0-10.8 HE2 LYS 24 - HG2 GLU 23 far 0 54 0 - 5.5-10.9 HG2 MET 21 - HG2 GLU 17 far 0 91 0 - 6.1-9.0 HB3 ASP 11 - HG2 GLU 17 far 0 71 0 - 7.5-9.4 HE3 LYS 12 - HG2 GLU 17 far 0 100 0 - 8.3-14.6 HG2 MET 21 - HG2 GLU 23 far 0 44 0 - 8.5-9.7 HB2 SER 9 - HG2 GLU 17 far 0 77 0 - 9.3-11.0 HE3 LYS 24 - HG2 GLU 98 far 0 60 0 - 9.7-15.2 HE3 LYS 24 - HG2 GLU 17 far 0 100 0 - 9.8-14.2 HE2 LYS 24 - HG2 GLU 98 far 0 60 0 - 9.9-14.7 HE2 LYS 24 - HG2 GLU 17 far 0 100 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 11025 from cnoeabs.peaks (4.51, 2.22, 36.00 ppm; 5.16 A): 1 out of 2 assignments used, quality = 0.98: HA PHE 96 + HG2 GLU 99 OK 98 100 100 99 2.0-5.2 10181/1.8=84...(6) HA PHE 96 - HG2 GLU 98 far 0 99 0 - 7.5-8.4 Violated in 1 structures by 0.00 A. Peak 11026 from cnoeabs.peaks (8.16, 4.19, 57.07 ppm; 4.69 A): 1 out of 1 assignment used, quality = 0.84: H GLY 100 + HA GLU 98 OK 84 90 100 94 4.0-4.7 7613/3.6=61, 7618=55...(4) Violated in 0 structures by 0.00 A. Peak 11027 from cnoeabs.peaks (8.55, 2.43, 36.00 ppm; 6.21 A increased from 5.23 A): 2 out of 3 assignments used, quality = 0.92: H GLN 50 + HG3 GLU 48 OK 78 84 95 99 4.6-6.5 10630/3.0=69...(8) H ASN 51 + HG3 GLU 48 OK 61 75 100 81 4.5-6.1 9031/3.0=33...(8) H LYS 12 - HG3 GLU 17 far 0 99 0 - 8.8-11.3 Violated in 0 structures by 0.00 A. Peak 11028 from cnoeabs.peaks (1.83, 3.87, 45.30 ppm; 6.50 A): 2 out of 6 assignments used, quality = 0.66: HB2 LYS 53 + HA2 GLY 101 OK 52 78 95 70 3.8-9.8 8115/10094=29, ~10616=18...(9) HB2 LYS 53 + HA3 GLY 101 OK 30 44 95 72 3.5-8.4 8115/12053=28...(10) HB2 GLU 104 - HA2 GLY 101 poor 18 70 25 - 4.0-10.3 HB2 LYS 53 - HA2 GLY 100 poor 16 98 25 64 5.9-8.9 8115/10094=42...(3) HB2 GLU 104 - HA3 GLY 101 poor 10 39 25 - 3.4-10.7 HB2 GLU 104 - HA2 GLY 100 far 5 92 5 - 5.6-14.3 Violated in 1 structures by 0.07 A. Peak 11029 from cnoeabs.peaks (8.26, 3.89, 45.04 ppm; 6.50 A increased from 5.74 A): 2 out of 4 assignments used, quality = 0.77: H LEU 103 + HA3 GLY 101 OK 63 87 85 85 3.3-6.9 7644/3.6=76, 7646=14...(5) H LEU 103 + HA2 GLY 101 OK 39 50 90 85 3.1-7.0 7644/3.6=76, 7646/1.8=14...(6) H LEU 103 - HA2 GLY 100 far 5 36 15 - 4.9-9.8 H LEU 27 - HA3 GLY 101 far 0 90 0 - 9.3-15.2 Violated in 0 structures by 0.00 A. Peak 11033 from cnoeabs.peaks (1.46, 1.30, 27.70 ppm; 4.10 A): 1 out of 6 assignments used, quality = 0.98: HG3 LYS 53 + HG LEU 3 OK 98 98 100 100 3.3-4.2 3.0/8118=52, 8113/2.1=44...(28) HD2 LYS 53 - HG LEU 3 far 15 100 15 - 4.2-5.6 HG2 LYS 53 - HG LEU 3 far 0 100 0 - 4.9-5.8 HG13 ILE 52 - HG LEU 3 far 0 100 0 - 5.4-6.3 HB2 LEU 27 - HG LEU 3 far 0 100 0 - 7.2-8.0 QB ALA 22 - HG LEU 3 far 0 91 0 - 9.0-9.9 Violated in 1 structures by 0.00 A. Peak 11034 from cnoeabs.peaks (1.47, 5.13, 53.57 ppm; 5.01 A): 3 out of 6 assignments used, quality = 1.00: HG3 LYS 53 + HA LEU 3 OK 99 100 100 99 3.6-4.3 11033/3.7=72...(11) HG2 LYS 53 + HA LEU 3 OK 84 100 90 94 4.7-5.4 5.0/9178=57, 3.0/9203=38...(8) HG13 ILE 52 + HA LEU 3 OK 78 99 100 79 3.5-4.7 3.8/8105=40...(8) HD2 LYS 53 - HA LEU 3 far 5 100 5 - 5.0-6.3 HB2 LEU 27 - HA LEU 3 far 0 99 0 - 6.5-7.5 QB ALA 22 - HA LEU 3 far 0 77 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 11063 from cnoeabs.peaks (4.41, 1.70, 28.93 ppm; 4.35 A increased from 4.09 A): 2 out of 15 assignments used, quality = 0.94: HA MET 21 + HD2 LYS 24 OK 89 99 95 95 2.4-5.0 1072/3.6=71, 8564=39...(12) HA MET 21 + HD3 LYS 24 OK 47 99 50 95 2.2-5.3 1072/3.6=71, 8564/1.8=40...(13) HA ALA 25 - HD3 LYS 24 far 0 99 0 - 5.0-8.0 HA VAL 32 - HD2 LYS 33 far 0 54 0 - 5.9-6.4 HA MET 21 - HD3 LYS 20 far 0 46 0 - 5.9-7.8 HA VAL 32 - HD3 LYS 33 far 0 54 0 - 6.0-6.4 HA ALA 25 - HD2 LYS 24 far 0 98 0 - 6.3-8.1 HA MET 21 - HD2 LYS 20 far 0 53 0 - 6.4-7.9 HA GLU 48 - HD2 LYS 47 far 0 39 0 - 6.6-8.1 HA GLU 48 - HD3 LYS 47 far 0 40 0 - 6.6-8.1 HA SER 9 - HD3 LYS 33 far 0 44 0 - 7.8-8.9 HA SER 9 - HD2 LYS 12 far 0 84 0 - 7.9-11.8 HA SER 9 - HD3 LYS 12 far 0 84 0 - 8.1-11.5 HA SER 9 - HD2 LYS 33 far 0 44 0 - 9.2-9.8 HA ILE 76 - HD2 LYS 47 far 0 39 0 - 9.7-13.1 Violated in 1 structures by 0.00 A. Peak 11065 from cnoeabs.peaks (8.50, 4.24, 69.49 ppm; 3.26 A): 1 out of 3 assignments used, quality = 0.92: H VAL 32 + HB THR 31 OK 92 96 100 96 2.8-3.1 6506=66, 6505/3.0=52...(8) ! H THR 31 - HB THR 31 far 5 100 5 - 3.6-3.7 H ILE 7 - HB THR 31 far 0 61 0 - 5.2-5.5 Violated in 0 structures by 0.00 A. Peak 11067 from cnoeabs.peaks (1.38, 2.26, 36.95 ppm; 6.50 A increased from 5.77 A): 1 out of 6 assignments used, quality = 0.90: HG3 LYS 40 + HG2 GLU 37 OK 90 91 100 99 5.2-6.2 8963/1581=74, ~8846=72...(11) HG12 ILE 8 - HG2 GLU 37 far 0 95 0 - 8.1-10.3 HB3 ARG 30 - HG2 GLU 37 far 0 99 0 - 9.0-10.3 HG3 LYS 68 - HG2 GLU 62 far 0 47 0 - 9.4-11.4 HG3 LYS 68 - HG3 GLU 62 far 0 47 0 - 9.5-11.6 HB2 LEU 70 - HG2 GLU 62 far 0 69 0 - 9.8-12.1 Violated in 0 structures by 0.00 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 = 0.93: QG2 ILE 76 + QG2 VAL 54 OK 93 100 100 93 2.6-3.3 10877=46, 9233/2.1=36...(13) QD1 LEU 38 - QG2 VAL 54 far 0 91 0 - 5.0-5.5 QD1 LEU 2 - QG2 VAL 54 far 0 100 0 - 5.7-6.3 QG1 VAL 32 - QG2 VAL 54 far 0 84 0 - 8.2-8.6 QD1 LEU 103 - QG2 VAL 54 far 0 95 0 - 9.2-14.9 HG13 ILE 8 - QG2 VAL 54 far 0 100 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 11071 from cnoeabs.peaks (5.23, 0.60, 16.63 ppm; 6.03 A): 1 out of 2 assignments used, quality = 0.86: HA VAL 58 + QG2 ILE 56 OK 86 87 100 99 4.4-4.6 3.0/9324=79...(9) HA VAL 78 - QG2 ILE 56 far 0 63 0 - 6.9-7.4 Violated in 0 structures by 0.00 A. Peak 11072 from cnoeabs.peaks (2.17, 3.19, 43.64 ppm; 5.91 A increased from 5.25 A): 2 out of 5 assignments used, quality = 0.91: HG2 GLU 43 + HD3 ARG 46 OK 78 97 90 89 4.7-6.7 3.7/10171=87, 1550/9607=16 HB3 GLU 75 + HD3 ARG 46 OK 61 96 75 84 5.2-6.6 10175/1.8=76...(3) HG3 GLU 75 - HD3 ARG 46 far 5 100 5 - 6.1-8.4 HB2 GLU 75 - HD3 ARG 46 far 0 59 0 - 6.4-8.3 HG2 GLU 75 - HD3 ARG 46 far 0 100 0 - 6.5-8.7 Violated in 0 structures by 0.00 A. Peak 11073 from cnoeabs.peaks (6.98, 4.13, 56.52 ppm; 5.39 A): 0 out of 1 assignment used, quality = 0.00: QE PHE 96 - HA GLU 104 far 0 84 0 - 8.9-15.0 Violated in 20 structures by 7.38 A. Peak 11076 from cnoeabs.peaks (0.86, 4.13, 56.52 ppm; 6.16 A increased from 5.79 A): 2 out of 2 assignments used, quality = 0.95: QD1 LEU 103 + HA GLU 104 OK 85 100 95 90 3.7-6.5 ~7659=66, ~4497=52...(4) QD2 LEU 103 + HA GLU 104 OK 68 75 100 90 3.6-6.2 ~7659=66, ~4497=52...(4) 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 = 0.96: HB3 PRO 86 + HG2 LYS 90 OK 92 96 100 95 4.0-4.6 9944/7419=52...(14) HB2 MET 21 + HG2 LYS 90 OK 58 59 100 98 3.5-4.2 3.0/8557=35, 4.0/8561=33...(23) HB2 PRO 86 - HG2 LYS 90 far 0 77 0 - 4.9-5.6 QE MET 21 - HG2 LYS 90 far 0 99 0 - 5.1-5.8 HB3 GLU 88 - HG2 LYS 90 far 0 98 0 - 7.5-8.1 HB2 GLU 16 - HG2 LYS 90 far 0 97 0 - 7.9-8.5 HB VAL 83 - HG2 LYS 90 far 0 88 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 11079 from cnoeabs.peaks (0.60, 1.35, 28.11 ppm; 4.74 A): 1 out of 2 assignments used, quality = 0.92: QD1 ILE 7 + HG LEU 14 OK 92 92 100 100 2.5-3.9 10272/2.1=88, ~10273=65...(13) QG2 ILE 56 - HG LEU 14 far 0 100 0 - 9.7-10.2 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 - 7.9-10.2 HB2 GLU 28 - HB2 GLU 48 far 0 58 0 - 9.8-12.2 Violated in 20 structures by 3.82 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; 4.98 A increased from 4.20 A): 2 out of 8 assignments used, quality = 0.98: HA ARG 19 + HA LYS 20 OK 97 97 100 100 4.8-4.9 786/6344=54, ~6291=50...(12) HA ARG 19 + HA GLU 16 OK 43 62 70 100 4.9-5.5 3.0/6278=89, 3.0/798=87...(13) HA LYS 12 - HA GLU 16 far 0 36 0 - 5.6-6.1 HA SER 97 - HA GLU 95 far 0 65 0 - 6.4-6.8 HA ALA 22 - HA LYS 20 far 0 98 0 - 6.6-6.9 HB3 SER 102 - HA GLU 95 far 0 63 0 - 8.5-14.1 HA ALA 22 - HA GLU 16 far 0 63 0 - 9.7-10.6 HA ALA 22 - HA GLU 95 far 0 64 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 11090 from cnoeabs.peaks (0.73, 3.80, 63.76 ppm; 5.35 A): 0 out of 3 assignments used, quality = 0.00: QD2 LEU 27 - HB3 SER 102 far 4 84 5 - 4.9-12.8 QG2 VAL 78 - HB3 SER 102 far 0 84 0 - 9.4-16.0 QG1 VAL 78 - HB3 SER 102 far 0 74 0 - 9.6-14.3 Violated in 19 structures by 4.03 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 - 8.9-9.8 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 4 assignments used, quality = 1.00: * HA HIS 106 + HB2 HIS 106 OK 100 100 100 100 2.4-3.0 3.0=100 HA SER 102 - HB2 HIS 106 far 0 82 0 - 4.9-14.2 HA ALA 25 - HB2 HIS 106 far 0 100 0 - 8.6-29.8 HA GLN 50 - HB2 HIS 106 far 0 99 0 - 9.7-27.9 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 9 assignments used, quality = 1.00: * HA HIS 106 + HB3 HIS 106 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 106 - HB3 HIS 105 far 0 97 0 - 4.5-6.1 HA SER 102 - HB3 HIS 105 far 0 76 0 - 4.5-11.5 HA SER 102 - HB3 HIS 106 far 0 82 0 - 6.4-15.0 HA ALA 25 - HB3 HIS 106 far 0 100 0 - 7.4-29.4 HA ALA 25 - HB3 HIS 105 far 0 96 0 - 8.5-28.4 HA GLN 50 - HB3 HIS 105 far 0 95 0 - 8.5-21.2 HA GLN 50 - HB3 HIS 106 far 0 99 0 - 9.3-26.5 HA ILE 76 - HB3 HIS 106 far 0 91 0 - 9.3-25.8 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 5 assignments used, quality = 1.00: * HB3 HIS 106 + HA HIS 106 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 HIS 105 - HA HIS 106 far 0 99 0 - 4.5-6.1 HB3 ASN 26 - HA HIS 106 far 0 98 0 - 7.2-29.6 HD3 ARG 79 - HA HIS 106 far 0 92 0 - 9.0-23.1 HD2 ARG 79 - HA HIS 106 far 0 94 0 - 9.1-22.2 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 = 0.86: HA LYS 53 + HA VAL 78 OK 86 91 100 94 3.5-4.2 6886/11101=72...(4) 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 2.7-3.5 10348=99, 3.2/12126=69...(13) 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 2.2-2.8 10349=99, 2.1/12126=93...(12) HB ILE 56 - HB VAL 54 far 0 92 0 - 6.0-6.4 HB2 LEU 42 - HB VAL 54 far 0 87 0 - 7.3-7.9 HG3 ARG 46 - HB VAL 54 far 0 100 0 - 8.0-10.2 Violated in 0 structures by 0.00 A. Peak 11105 from cnoeabs.peaks (7.75, 1.89, 35.51 ppm; 6.22 A): 1 out of 3 assignments used, quality = 1.00: H VAL 78 + HB VAL 54 OK 100 100 100 100 5.0-5.5 3.0/10348=100...(8) H SER 49 - HB VAL 54 far 0 84 0 - 9.2-11.0 H MET 74 - HB VAL 54 far 0 100 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 11110 from cnoeabs.peaks (9.31, 0.44, 22.30 ppm; 5.73 A): 1 out of 1 assignment used, quality = 1.00: H LEU 6 + QD1 LEU 55 OK 100 100 100 100 5.1-5.5 11108/2544=80...(9) Violated in 0 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 4.3-4.5 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): 1 out of 3 assignments used, quality = 1.00: HA LYS 82 + HA LEU 57 OK 100 100 100 100 4.2-4.4 9372/6945=96...(9) HA LEU 55 - HA LEU 57 far 0 63 0 - 6.2-6.5 HA ARG 79 - HA LEU 57 far 0 100 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 11115 from cnoeabs.peaks (8.47, 4.61, 60.23 ppm; 4.38 A): 1 out of 4 assignments used, quality = 1.00: H VAL 32 + HA ILE 8 OK 100 100 100 100 3.0-3.3 10147=99, 8346/6102=59...(11) H ILE 7 - HA ILE 8 far 0 95 0 - 5.1-5.2 H THR 31 - HA ILE 8 far 0 91 0 - 7.3-7.7 H ALA 67 - HA ILE 8 far 0 100 0 - 9.8-10.2 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 99 2.5-3.0 11118=93, 9697/6915=45...(9) H VAL 54 - HA LEU 55 far 0 100 0 - 4.6-5.2 H LYS 53 - HA LEU 55 far 0 84 0 - 7.8-8.4 H ILE 7 - HA LEU 55 far 0 68 0 - 8.5-8.7 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 5.2-5.5 4.4/10293=79...(9) H ASP 77 - HA ILE 52 far 0 65 0 - 6.9-7.9 H VAL 5 - HA ILE 52 far 0 61 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 11121 from cnoeabs.peaks (4.70, 3.68, 69.77 ppm; 5.48 A increased from 4.87 A): 1 out of 3 assignments used, quality = 0.92: HA ARG 79 + HB THR 80 OK 92 96 100 96 5.1-5.5 7298/7306=93, 9711/2.1=37 HA LYS 82 - HB THR 80 far 0 100 0 - 6.1-7.0 HA LEU 55 - HB THR 80 far 0 84 0 - 7.2-7.4 Violated in 3 structures by 0.00 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 2.8-3.0 9372=94, 6953/10228=67...(16) 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 = 0.99: H LEU 2 + HA ILE 52 OK 97 100 100 97 3.2-3.5 8044=63, 4.0/8046=34...(12) H LYS 53 + HA ILE 52 OK 61 61 100 100 2.2-2.3 3.6=100 H ASN 51 - HA ILE 52 far 0 79 0 - 4.3-4.4 H ARG 79 - HA THR 80 far 0 69 0 - 4.8-5.0 H VAL 58 - HA THR 80 far 0 37 0 - 5.2-5.5 H VAL 54 - HA ILE 52 far 0 96 0 - 5.8-6.4 H ALA 67 - HA THR 80 far 0 53 0 - 7.2-7.5 H VAL 54 - HA THR 80 far 0 63 0 - 7.9-8.8 H ARG 79 - HA ILE 52 far 0 100 0 - 9.1-9.9 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 = 1.00: HE3 LYS 53 + HA3 GLY 101 OK 97 100 100 97 2.1-6.3 3.0/10101=42, 12121=28...(20) HE2 LYS 53 + HA3 GLY 101 OK 92 100 95 98 2.0-8.0 3.0/10101=42, 12121=26...(20) Violated in 0 structures by 0.00 A. Peak 12006 from cnoeabs.peaks (3.96, 1.53, 41.20 ppm; 6.22 A): 4 out of 4 assignments used, quality = 1.00: HD3 PRO 86 + HB2 LEU 14 OK 89 89 100 100 3.1-3.5 9884/3.0=85...(31) HD2 PRO 86 + HB2 LEU 14 OK 88 88 100 100 4.9-5.2 2.3/12221=84, ~9884=74...(32) HB3 SER 9 + HB2 LEU 14 OK 63 63 100 100 4.8-5.7 ~8414=85, ~8410=70...(15) HB3 SER 9 + HB ILE 7 OK 36 55 65 100 6.2-6.9 ~8267=89, ~8322=76...(13) 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 = 0.91: HD3 PRO 86 + HB3 LEU 14 OK 73 73 100 100 4.9-5.2 9884/3.0=86, ~12221=75...(32) HB3 SER 9 + HB3 LEU 14 OK 52 52 100 100 3.2-4.4 ~8414=89, ~8410=74...(19) HD2 PRO 86 + HB3 LEU 14 OK 32 72 45 100 6.6-6.9 ~9884=79, ~12221=75...(32) 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 3.5-6.1 8403/3.1=95...(17) HG SER 9 - HB ILE 7 far 0 94 0 - 8.0-8.7 Violated in 0 structures by 0.00 A. Peak 12011 from cnoeabs.peaks (2.19, 1.52, 41.20 ppm; 6.03 A increased from 5.67 A): 1 out of 3 assignments used, quality = 1.00: HG3 PRO 86 + HB2 LEU 14 OK 100 100 100 100 4.6-5.7 12221=100, 9890/3.0=85...(29) HB3 GLU 16 - HB2 LEU 14 far 0 85 0 - 6.9-9.2 HB3 GLU 16 - HB ILE 7 far 0 75 0 - 9.8-10.4 Violated in 0 structures by 0.00 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 0 99 0 - 4.6-5.1 HB2 LEU 57 - QD1 LEU 14 far 0 60 0 - 5.1-5.5 QG2 THR 84 - QD1 LEU 14 far 0 98 0 - 5.1-5.3 Violated in 20 structures by 0.47 A. Peak 12013 from cnoeabs.peaks (1.23, 0.71, 24.40 ppm; 4.15 A increased from 3.49 A): 1 out of 5 assignments used, quality = 0.99: QB ALA 18 + QD2 LEU 14 OK 99 100 100 99 3.4-4.0 8278/10272=75...(14) HB2 LEU 57 - QD2 LEU 14 poor 17 67 25 - 4.3-4.9 QG2 THR 84 - QD2 LEU 14 far 0 97 0 - 6.2-6.5 QB ALA 18 - QD2 LEU 6 far 0 63 0 - 6.8-7.2 HB2 LEU 57 - QD2 LEU 6 far 0 35 0 - 8.3-8.5 Violated in 0 structures by 0.00 A. Peak 12014 from cnoeabs.peaks (1.42, 0.68, 25.60 ppm; 3.44 A): 1 out of 13 assignments used, quality = 0.92: QB ALA 71 + QD1 LEU 42 OK 92 96 100 95 2.1-2.7 2.1/10597=43...(18) HG3 LYS 39 - QD1 LEU 42 far 9 87 10 - 3.6-5.0 HB2 LEU 38 - QD1 LEU 42 far 0 64 0 - 3.7-5.0 HG LEU 38 - QD1 LEU 42 far 0 56 0 - 4.1-4.4 HG12 ILE 7 - QD1 LEU 14 far 0 100 0 - 4.7-5.3 HG13 ILE 76 - QD1 LEU 42 far 0 92 0 - 5.0-5.4 HG2 LYS 13 - QD1 LEU 14 far 0 98 0 - 7.2-8.0 HG2 LYS 12 - QD1 LEU 14 far 0 84 0 - 9.0-9.5 QB ALA 22 - QD1 LEU 14 far 0 96 0 - 9.0-9.5 HG2 LYS 20 - QD1 LEU 14 far 0 62 0 - 9.2-11.9 HD2 LYS 82 - QD1 LEU 14 far 0 58 0 - 9.4-9.8 HG LEU 29 - QD1 LEU 14 far 0 96 0 - 9.6-10.3 HG13 ILE 52 - QD1 LEU 42 far 0 60 0 - 9.6-10.4 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 16 assignments used, quality = 1.00: HG12 ILE 7 + QD2 LEU 14 OK 100 100 100 100 2.8-3.5 10273=99, 2.1/10272=81...(15) HG LEU 29 - QD2 LEU 6 far 0 57 0 - 4.5-5.0 HB2 LEU 38 - QD2 LEU 6 far 0 35 0 - 5.4-6.1 HG LEU 38 - QD2 LEU 6 far 0 31 0 - 5.5-5.9 QB ALA 22 - QD2 LEU 6 far 0 57 0 - 6.8-7.2 QB ALA 71 - QD2 LEU 6 far 0 61 0 - 7.0-7.2 HG12 ILE 7 - QD2 LEU 6 far 0 63 0 - 7.1-7.3 HG2 LYS 12 - QD2 LEU 14 far 0 85 0 - 7.2-7.7 HG LEU 29 - QD2 LEU 14 far 0 96 0 - 7.6-8.3 HG2 LYS 13 - QD2 LEU 14 far 0 98 0 - 7.7-8.2 QB ALA 22 - QD2 LEU 14 far 0 96 0 - 7.9-8.3 HG2 LYS 20 - QD2 LEU 14 far 0 63 0 - 8.5-11.1 HB2 LEU 27 - QD2 LEU 6 far 0 33 0 - 8.7-9.5 HG3 LYS 39 - QD2 LEU 6 far 0 52 0 - 8.8-9.4 HG13 ILE 52 - QD2 LEU 6 far 0 33 0 - 9.0-9.6 HD2 LYS 82 - QD2 LEU 14 far 0 59 0 - 9.7-10.3 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 2.3-3.0 3.6/8411=54, 3.8/8424=42...(31) HD2 PRO 86 + QD1 LEU 14 OK 99 99 100 100 3.5-4.0 3.6/8411=54, 3.8/8424=42...(30) HA GLU 69 - QD1 LEU 42 far 0 76 0 - 6.8-7.3 HA GLU 75 - QD1 LEU 42 far 0 66 0 - 7.4-7.8 HA GLU 44 - QD1 LEU 42 far 0 57 0 - 8.6-8.8 Violated in 0 structures by 0.00 A. Peak 12018 from cnoeabs.peaks (3.98, 0.71, 24.40 ppm; 5.56 A increased from 4.68 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 86 + QD2 LEU 14 OK 100 100 100 100 5.0-5.4 3.6/8412=77, 9884/4.0=71...(26) HD2 PRO 86 - QD2 LEU 14 far 0 100 0 - 6.2-6.5 Violated in 0 structures by 0.00 A. Peak 12020 from cnoeabs.peaks (0.71, 3.26, 65.90 ppm; 3.40 A): 1 out of 7 assignments used, quality = 0.99: QD2 LEU 14 + HA ILE 15 OK 99 100 100 100 2.9-3.3 8413=58, 6215/3.0=50...(22) QD1 LEU 14 - HA ILE 15 far 0 70 0 - 5.2-5.5 QG1 VAL 5 - HA ILE 15 far 0 95 0 - 6.8-7.3 HG13 ILE 93 - HA ILE 15 far 0 70 0 - 8.4-9.1 QD2 LEU 6 - HA ILE 15 far 0 86 0 - 8.4-9.0 QD1 ILE 8 - HA ILE 15 far 0 100 0 - 9.1-9.4 QG1 VAL 58 - HA ILE 15 far 0 98 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 12021 from cnoeabs.peaks (0.68, 3.26, 65.90 ppm; 3.98 A): 1 out of 7 assignments used, quality = 0.79: QD2 LEU 14 + HA ILE 15 OK 79 79 100 100 2.9-3.3 8413=69, 6214/3.0=60...(22) QD2 LEU 29 - HA ILE 15 far 0 60 0 - 4.7-5.4 QD1 LEU 29 - HA ILE 15 far 0 81 0 - 4.8-5.6 QD1 LEU 14 - HA ILE 15 far 0 100 0 - 5.2-5.5 QD2 LEU 6 - HA ILE 15 far 0 99 0 - 8.4-9.0 QD1 ILE 8 - HA ILE 15 far 0 78 0 - 9.1-9.4 QG1 VAL 58 - HA ILE 15 far 0 56 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 12024 from cnoeabs.peaks (0.88, 1.69, 29.40 ppm; 5.23 A): 1 out of 13 assignments used, quality = 0.94: HG13 ILE 7 + HG12 ILE 15 OK 94 94 100 100 3.5-4.6 10118/1.8=87...(13) QD1 LEU 2 - HD3 LYS 47 far 0 95 0 - 6.9-9.8 QG2 ILE 76 - HD2 LYS 47 far 0 93 0 - 7.4-9.9 HG13 ILE 8 - HG12 ILE 15 far 0 98 0 - 7.4-8.8 QD1 LEU 2 - HD2 LYS 47 far 0 94 0 - 7.7-9.7 QG1 VAL 32 - HG12 ILE 15 far 0 74 0 - 7.8-9.2 QD1 LEU 103 - HB3 ARG 91 far 0 92 0 - 7.9-21.9 QG2 ILE 76 - HD3 LYS 47 far 0 94 0 - 8.0-9.6 HG13 ILE 7 - HD3 LYS 90 far 0 92 0 - 8.2-12.5 HG13 ILE 7 - HD2 LYS 12 far 0 61 0 - 9.1-11.6 HG13 ILE 7 - HD3 LYS 12 far 0 61 0 - 9.2-11.1 HG13 ILE 7 - HD2 LYS 20 far 0 75 0 - 9.2-12.8 HG13 ILE 7 - HD3 LYS 20 far 0 71 0 - 9.4-13.8 Violated in 0 structures by 0.00 A. Peak 12025 from cnoeabs.peaks (1.42, 1.69, 29.40 ppm; 3.50 A): 5 out of 30 assignments used, quality = 0.98: HG3 ARG 91 + HB3 ARG 91 OK 65 65 100 100 2.3-3.0 2.8=100 HG2 LYS 12 + HD2 LYS 12 OK 53 53 100 100 2.3-3.0 3.0=100 HG2 LYS 12 + HD3 LYS 12 OK 53 53 100 100 2.3-3.0 3.0=100 HG2 LYS 20 + HD2 LYS 20 OK 45 45 100 100 2.2-3.0 2.8=100 HG2 LYS 20 + HD3 LYS 20 OK 42 42 100 100 2.4-2.9 2.8=100 HG12 ILE 7 - HG12 ILE 15 far 0 100 0 - 5.0-5.8 HG2 LYS 12 - HG12 ILE 15 far 0 85 0 - 5.7-6.4 QB ALA 22 - HD3 LYS 20 far 0 71 0 - 5.8-8.6 HG2 LYS 20 - HD3 LYS 90 far 0 61 0 - 6.0-10.5 QB ALA 22 - HD2 LYS 20 far 0 75 0 - 6.8-8.7 HG2 LYS 13 - HD3 LYS 12 far 0 67 0 - 6.9-8.9 HG2 LYS 13 - HD2 LYS 12 far 0 67 0 - 7.4-9.5 HG LEU 29 - HG12 ILE 15 far 0 96 0 - 7.6-9.0 HG13 ILE 76 - HD2 LYS 47 far 0 87 0 - 7.9-11.4 HG2 LYS 13 - HD2 LYS 20 far 0 79 0 - 7.9-10.6 QB ALA 22 - HD3 LYS 90 far 0 94 0 - 8.3-9.6 HG3 ARG 91 - HD3 LYS 90 far 0 71 0 - 8.3-9.8 HG2 LYS 13 - HD3 LYS 20 far 0 75 0 - 8.5-12.2 QB ALA 22 - HG12 ILE 15 far 0 96 0 - 8.5-9.5 HG13 ILE 76 - HD3 LYS 47 far 0 88 0 - 8.7-11.2 HG13 ILE 52 - HD3 LYS 47 far 0 56 0 - 8.7-11.3 HG2 LYS 13 - HG12 ILE 15 far 0 98 0 - 8.9-10.6 HG2 LYS 12 - HD2 LYS 20 far 0 64 0 - 8.9-11.4 HG12 ILE 7 - HD3 LYS 90 far 0 99 0 - 9.0-11.4 HG2 LYS 12 - HD3 LYS 20 far 0 60 0 - 9.0-13.0 HG LEU 29 - HD3 LYS 20 far 0 71 0 - 9.3-12.8 HG2 LYS 20 - HD2 LYS 12 far 0 37 0 - 9.4-13.7 HG2 LYS 13 - HD3 LYS 90 far 0 97 0 - 9.5-12.5 HG2 LYS 20 - HD3 LYS 12 far 0 37 0 - 9.7-14.1 HG2 LYS 20 - HG12 ILE 15 far 0 63 0 - 9.8-11.9 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 5 assignments used, quality = 0.98: HG2 LYS 90 + HB2 GLU 17 OK 79 79 100 100 2.2-3.1 1.8/12027=96, ~10433=78...(18) QB ALA 89 + HB2 GLU 17 OK 76 88 100 87 3.8-4.9 9940/742=55...(5) HG LEU 14 + HB2 GLU 17 OK 55 69 90 89 5.1-6.2 4.3/735=50, 10410/742=32...(5) HG2 LYS 94 - HB2 GLU 17 far 0 88 0 - 9.5-12.7 QB ALA 25 - HB2 GLU 17 far 0 88 0 - 9.5-10.3 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 = 1.00: HG3 LYS 90 + HB2 GLU 17 OK 100 100 100 100 2.5-3.4 12029/1.8=77, ~10433=60...(19) HG2 ARG 19 - HB2 GLU 17 far 0 100 0 - 7.6-9.8 HD3 LYS 94 - HB2 GLU 17 far 0 94 0 - 9.0-12.4 HG2 LYS 24 - HB2 GLU 17 far 0 100 0 - 9.5-12.6 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 6 assignments used, quality = 1.00: HG2 LYS 90 + HB3 GLU 17 OK 100 100 100 100 3.2-4.2 2.9/10433=96...(23) HG2 ARG 30 - HB2 GLU 44 far 3 62 5 - 6.0-7.6 HG LEU 3 - HB3 GLU 99 far 0 33 0 - 6.8-10.1 HB3 LEU 42 - HB2 GLU 44 far 0 58 0 - 7.0-7.4 HG2 ARG 30 - HB3 GLU 44 far 0 62 0 - 7.0-8.8 HB3 LEU 42 - HB3 GLU 44 far 0 58 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 12029 from cnoeabs.peaks (1.58, 2.01, 29.00 ppm; 4.99 A increased from 4.69 A): 1 out of 13 assignments used, quality = 1.00: HG3 LYS 90 + HB3 GLU 17 OK 100 100 100 100 3.8-5.0 2.9/10433=87...(17) HG LEU 103 - HB3 GLU 99 poor 7 35 20 - 2.4-12.5 HD3 LYS 53 - HB3 GLU 99 poor 5 23 20 - 4.6-8.7 HB2 LEU 103 - HB3 GLU 99 far 0 34 0 - 5.3-14.4 HD2 LYS 66 - HB2 GLU 35 far 0 50 0 - 5.4-8.6 HG2 ARG 19 - HB3 GLU 17 far 0 100 0 - 6.7-9.1 HB2 ARG 79 - HB3 GLU 99 far 0 28 0 - 6.9-10.3 HB2 ARG 30 - HB2 GLU 44 far 0 49 0 - 7.8-8.4 HB2 LEU 3 - HB3 GLU 99 far 0 24 0 - 8.2-11.3 HB3 GLU 28 - HB2 GLU 44 far 0 55 0 - 8.5-9.6 HB2 ARG 30 - HB3 GLU 44 far 0 49 0 - 8.9-9.6 HB3 GLU 28 - HB3 GLU 44 far 0 55 0 - 9.5-10.8 HD3 LYS 94 - HB3 GLU 99 far 0 29 0 - 10.0-12.8 Violated in 1 structures by 0.00 A. Peak 12030 from cnoeabs.peaks (1.34, 3.77, 55.00 ppm; 4.30 A): 1 out of 6 assignments used, quality = 0.94: QB ALA 89 + HA ALA 18 OK 94 99 100 95 2.9-3.6 9932/8480=77...(7) HG LEU 14 - HA ALA 18 far 0 98 0 - 5.8-6.4 QB ALA 25 - HA ALA 18 far 0 99 0 - 6.9-7.7 HG3 LYS 94 - HA ALA 18 far 0 56 0 - 8.1-11.3 HG2 LYS 94 - HA ALA 18 far 0 99 0 - 8.3-11.3 HB3 LEU 27 - HA ALA 18 far 0 99 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 12031 from cnoeabs.peaks (0.71, 1.23, 18.00 ppm; 4.03 A increased from 3.23 A): 3 out of 13 assignments used, quality = 1.00: QD2 LEU 14 + QB ALA 18 OK 100 100 100 100 3.4-4.0 12013=92, 10272/8278=72...(14) HG13 ILE 93 + QB ALA 18 OK 59 71 85 99 3.6-4.4 2.1/10020=88, ~8480=52...(8) QG1 VAL 5 + QB ALA 18 OK 41 95 100 44 3.4-4.1 10198/10023=22...(4) QD1 LEU 14 - QB ALA 18 far 0 71 0 - 4.6-5.1 QD2 LEU 6 - QB ALA 18 far 0 86 0 - 6.8-7.2 QG1 VAL 58 - QB ALA 18 far 0 98 0 - 7.7-8.1 QD1 ILE 8 - QB ALA 18 far 0 100 0 - 7.8-8.2 HG3 ARG 81 - QB ALA 18 far 0 78 0 - 8.4-10.3 QG2 VAL 58 - QB ALA 18 far 0 67 0 - 8.4-8.8 QD2 LEU 27 - QB ALA 18 far 0 92 0 - 8.8-9.3 QD1 ILE 56 - QB ALA 18 far 0 100 0 - 9.3-9.7 HG13 ILE 56 - QB ALA 18 far 0 100 0 - 9.3-9.8 QD1 LEU 64 - QB ALA 18 far 0 74 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 12032 from cnoeabs.peaks (0.68, 1.23, 18.00 ppm; 3.03 A): 1 out of 11 assignments used, quality = 0.72: QD1 LEU 29 + QB ALA 18 OK 72 81 100 89 1.9-2.5 8672=58, 8691/6283=21...(15) QD2 LEU 29 - QB ALA 18 poor 18 61 30 - 3.0-3.7 QD2 LEU 14 - QB ALA 18 far 0 80 0 - 3.4-4.0 QD1 LEU 14 - QB ALA 18 far 0 100 0 - 4.6-5.1 QD2 LEU 6 - QB ALA 18 far 0 99 0 - 6.8-7.2 QG1 VAL 58 - QB ALA 18 far 0 56 0 - 7.7-8.1 QD1 ILE 8 - QB ALA 18 far 0 78 0 - 7.8-8.2 QG2 VAL 58 - QB ALA 18 far 0 100 0 - 8.4-8.8 QD1 ILE 56 - QB ALA 18 far 0 81 0 - 9.3-9.7 HG13 ILE 56 - QB ALA 18 far 0 69 0 - 9.3-9.8 QG2 VAL 54 - QB ALA 18 far 0 83 0 - 9.5-10.2 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 2 assignments used, quality = 1.00: HE ARG 19 + HG2 ARG 19 OK 100 100 100 100 2.2-3.6 3.6=100 HE22 GLN 72 - HD2 LYS 66 far 0 90 0 - 9.8-12.0 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 2.2-4.0 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 4 assignments used, quality = 0.00: HE21 GLN 50 - QD2 LEU 2 far 5 100 5 - 5.1-9.7 QE PHE 96 - QD2 LEU 103 far 0 29 0 - 7.3-11.4 QE PHE 96 - QD2 LEU 2 far 0 61 0 - 8.0-8.9 HE21 GLN 50 - QD2 LEU 103 far 0 59 0 - 8.7-19.3 Violated in 19 structures by 1.51 A. Peak 12039 from cnoeabs.peaks (1.46, 0.88, 24.80 ppm; 3.69 A increased from 3.47 A): 1 out of 13 assignments used, quality = 0.98: HG13 ILE 52 + QD1 LEU 2 OK 98 100 100 99 2.2-3.6 2.1/10640=61...(21) HG3 LYS 53 - QD1 LEU 2 far 0 99 0 - 5.1-6.8 HD2 LYS 53 - QD1 LEU 103 far 0 68 0 - 5.3-10.4 HG2 LYS 53 - QD1 LEU 2 far 0 100 0 - 5.4-7.0 HG2 LYS 53 - QD1 LEU 103 far 0 68 0 - 5.9-12.5 HG3 ARG 91 - QD1 LEU 103 far 0 66 0 - 6.3-20.4 HG3 LYS 53 - QD1 LEU 103 far 0 66 0 - 6.6-12.1 HD2 LYS 53 - QD1 LEU 2 far 0 100 0 - 6.6-8.5 HG2 LYS 47 - QD1 LEU 2 far 0 75 0 - 6.7-8.6 HG13 ILE 76 - QD1 LEU 2 far 0 87 0 - 8.7-9.9 HB2 ARG 91 - QD1 LEU 103 far 0 50 0 - 8.7-22.4 HG13 ILE 52 - QD1 LEU 103 far 0 68 0 - 9.6-16.5 HB2 LEU 27 - QD1 LEU 2 far 0 100 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 12040 from cnoeabs.peaks (1.46, 0.81, 23.50 ppm; 3.42 A): 0 out of 12 assignments used, quality = 0.00: HG13 ILE 52 - QD2 LEU 2 far 0 100 0 - 3.8-4.5 HD2 LYS 53 - QD2 LEU 103 far 0 59 0 - 5.4-9.3 HG3 LYS 53 - QD2 LEU 2 far 0 99 0 - 6.5-7.4 HG3 LYS 53 - QD2 LEU 103 far 0 57 0 - 6.9-10.7 HG2 LYS 47 - QD2 LEU 2 far 0 75 0 - 7.1-9.9 HG3 ARG 91 - QD2 LEU 103 far 0 57 0 - 7.1-19.4 HG2 LYS 53 - QD2 LEU 2 far 0 100 0 - 7.2-8.0 HG2 LYS 53 - QD2 LEU 103 far 0 58 0 - 7.3-11.3 HD2 LYS 53 - QD2 LEU 2 far 0 100 0 - 7.8-9.1 HB2 LEU 27 - QD2 LEU 2 far 0 100 0 - 9.0-10.4 HG13 ILE 76 - QD2 LEU 2 far 0 87 0 - 9.5-12.3 HB2 ARG 91 - QD2 LEU 103 far 0 43 0 - 9.6-21.0 Violated in 20 structures by 0.58 A. Peak 12041 from cnoeabs.peaks (1.45, 2.93, 31.90 ppm; 6.45 A): 1 out of 7 assignments used, quality = 0.93: QB ALA 22 + HG2 MET 21 OK 93 93 100 100 6.1-6.3 12043/3.0=89...(20) HG2 LYS 20 - HG2 MET 21 far 14 96 15 - 5.3-8.7 HB2 ARG 91 - HG2 MET 21 far 9 59 15 - 6.4-7.3 HG3 ARG 91 - HG2 MET 21 far 0 97 0 - 7.5-9.0 HB2 LEU 27 - HG2 MET 21 far 0 96 0 - 9.0-10.2 HG12 ILE 7 - HG2 MET 21 far 0 80 0 - 9.7-10.7 HG LEU 29 - HG2 MET 21 far 0 93 0 - 9.9-10.6 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 99 4.2-5.4 2.9/8557=81, 5.2/3920=63...(13) HG3 LYS 20 - HG2 MET 21 far 15 100 15 - 4.9-8.3 HD2 LYS 24 - HG2 MET 21 far 13 85 15 - 5.5-8.4 HD3 LYS 24 - HG2 MET 21 far 8 84 10 - 5.1-8.0 HD3 LYS 20 - HG2 MET 21 far 0 100 0 - 6.0-9.1 HB3 ARG 91 - HG2 MET 21 far 0 98 0 - 6.9-7.5 HD2 LYS 20 - HG2 MET 21 far 0 100 0 - 6.9-9.4 HG2 PRO 86 - HG2 MET 21 far 0 90 0 - 9.3-10.6 Violated in 1 structures by 0.00 A. Peak 12043 from cnoeabs.peaks (1.44, 2.40, 31.90 ppm; 5.24 A): 1 out of 10 assignments used, quality = 0.97: QB ALA 22 + HB3 MET 21 OK 97 97 100 100 4.1-4.3 6353/4.6=81, ~6347=74...(18) HG2 LYS 20 - HG3 MET 21 far 14 94 15 - 4.1-7.5 HG2 LYS 20 - HB3 MET 21 far 14 90 15 - 5.1-8.4 QB ALA 22 - HG3 MET 21 far 0 100 0 - 6.2-6.3 HB2 LEU 27 - HB3 MET 21 far 0 90 0 - 6.6-7.6 HG LEU 29 - HB3 MET 21 far 0 97 0 - 8.1-8.6 HG3 ARG 91 - HB3 MET 21 far 0 94 0 - 8.8-10.0 HG3 ARG 91 - HG3 MET 21 far 0 98 0 - 9.0-10.6 HG12 ILE 7 - HB3 MET 21 far 0 91 0 - 9.3-10.0 HB2 LEU 27 - HG3 MET 21 far 0 94 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 12044 from cnoeabs.peaks (1.68, 2.40, 31.90 ppm; 5.96 A increased from 5.30 A): 5 out of 15 assignments used, quality = 0.99: HD3 LYS 90 + HG3 MET 21 OK 91 91 100 100 5.1-6.0 12042/1.8=93, ~8557=71...(18) HD2 LYS 24 + HG3 MET 21 OK 47 92 85 61 3.9-7.2 8564/3.9=47, 1116/5.1=8...(5) HD3 LYS 20 + HG3 MET 21 OK 42 100 60 70 4.9-7.8 3.5/12166=61, 6327/5.1=23 HD2 LYS 24 + HB3 MET 21 OK 42 87 55 88 5.2-7.6 8564/3.0=52, ~8564=30...(6) HD3 LYS 24 + HG3 MET 21 OK 35 91 75 51 3.7-6.6 8564/3.9=34, 1127/5.1=7...(5) HG3 LYS 20 - HG3 MET 21 poor 20 100 20 - 3.4-7.1 HD2 LYS 20 - HG3 MET 21 poor 20 100 20 - 5.7-8.1 HD3 LYS 24 - HB3 MET 21 poor 19 86 25 91 4.9-7.6 ~11063=49, ~8564=41...(6) HG3 LYS 20 - HB3 MET 21 far 15 98 15 - 5.2-8.1 HD3 LYS 90 - HB3 MET 21 far 0 86 0 - 6.7-7.1 HD3 LYS 20 - HB3 MET 21 far 0 98 0 - 6.9-9.2 HD2 LYS 20 - HB3 MET 21 far 0 98 0 - 7.2-9.3 HB3 ARG 91 - HB3 MET 21 far 0 97 0 - 8.3-8.8 HB3 ARG 91 - HG3 MET 21 far 0 100 0 - 8.4-9.2 HG2 PRO 86 - HG3 MET 21 far 0 95 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 12046 from cnoeabs.peaks (7.47, 4.36, 54.30 ppm; 6.10 A): 1 out of 1 assignment used, quality = 1.00: HD22 ASN 26 + HA ASN 26 OK 100 100 100 100 2.0-4.8 4.4=100 Violated in 0 structures by 0.00 A. Peak 12048 from cnoeabs.peaks (3.96, 1.60, 26.50 ppm; 6.50 A): 2 out of 2 assignments used, quality = 1.00: HB2 SER 97 + HG LEU 27 OK 97 97 100 100 2.8-3.7 1.8/10072=99, 10077=96...(15) HB3 SER 97 + HG LEU 27 OK 90 90 100 100 3.3-5.1 1.8/10077=100, 10072=87...(16) 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 - 6.2-6.5 H VAL 32 - QD1 LEU 29 far 0 91 0 - 7.0-7.3 H ARG 79 - QD1 LEU 29 far 0 100 0 - 9.7-10.5 H VAL 54 - QD1 LEU 29 far 0 98 0 - 9.8-10.6 Violated in 20 structures by 0.97 A. Peak 12050 from cnoeabs.peaks (8.50, 0.64, 24.70 ppm; 4.18 A increased from 3.93 A): 1 out of 2 assignments used, quality = 0.97: H THR 31 + QD2 LEU 29 OK 97 100 100 98 3.8-4.2 6501/8731=72...(8) H VAL 32 - QD2 LEU 29 far 0 92 0 - 5.6-6.3 Violated in 1 structures by 0.00 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 99 2.6-4.2 10093=69, 1.8/10089=62...(12) HA2 GLY 101 - QD1 LEU 3 far 5 100 5 - 3.4-6.8 HA3 GLY 101 - QD1 LEU 3 far 4 89 5 - 1.9-6.4 HB2 SER 102 - QD1 LEU 3 far 4 88 5 - 3.7-10.9 HA LYS 94 - QD1 LEU 3 far 0 100 0 - 7.0-8.0 Violated in 1 structures by 0.00 A. Peak 12053 from cnoeabs.peaks (3.87, 0.26, 24.10 ppm; 4.63 A): 3 out of 5 assignments used, quality = 1.00: HA2 GLY 100 + QD2 LEU 3 OK 100 100 100 100 2.7-4.6 12051/2.1=84...(15) HA3 GLY 101 + QD2 LEU 3 OK 85 89 100 96 3.5-4.7 10108=43, ~10104=38...(17) HA2 GLY 101 + QD2 LEU 3 OK 84 100 90 93 4.0-5.3 1.8/10108=41, ~10104=38...(16) HB2 SER 102 - QD2 LEU 3 far 0 88 0 - 6.0-9.4 HA LYS 94 - QD2 LEU 3 far 0 100 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 12055 from cnoeabs.peaks (4.61, 1.94, 34.50 ppm; 4.35 A): 1 out of 6 assignments used, quality = 1.00: HA ILE 8 + HB VAL 32 OK 100 100 100 100 3.3-3.6 10163/2.1=61...(8) HB THR 34 - HB2 LYS 33 far 0 63 0 - 5.1-5.2 HB THR 34 - HB3 LYS 33 far 0 59 0 - 6.1-6.3 HA ILE 8 - HB3 LYS 33 far 0 65 0 - 6.5-6.8 HA ILE 8 - HB2 LYS 33 far 0 70 0 - 7.1-7.4 HB THR 34 - HB VAL 32 far 0 96 0 - 8.2-8.5 Violated in 0 structures by 0.00 A. Peak 12056 from cnoeabs.peaks (0.79, 1.94, 34.50 ppm; 4.04 A): 2 out of 28 assignments used, quality = 1.00: QG2 ILE 8 + HB VAL 32 OK 100 100 100 100 2.7-4.0 3.0/12200=68...(12) QD2 LEU 38 + HB VAL 32 OK 67 73 100 91 2.4-2.7 3.1/10158=34...(14) QD1 LEU 6 - HB VAL 32 far 0 92 0 - 4.7-5.1 QG2 ILE 7 - HB VAL 32 far 0 99 0 - 4.7-5.1 QG2 ILE 8 - HB3 LYS 33 far 0 64 0 - 5.2-6.0 QG2 ILE 8 - HB2 LYS 33 far 0 69 0 - 5.7-6.5 QD1 ILE 15 - HB3 LYS 33 far 0 41 0 - 6.2-6.9 QD1 LEU 70 - HB VAL 32 far 0 85 0 - 6.6-7.6 QD1 ILE 15 - HB VAL 32 far 0 75 0 - 7.1-7.8 QG1 VAL 54 - HB VAL 32 far 0 79 0 - 7.1-7.5 QD1 ILE 15 - HB2 LYS 33 far 0 45 0 - 7.3-7.9 QD2 LEU 38 - HB2 LYS 33 far 0 44 0 - 7.3-7.9 QG2 ILE 15 - HB VAL 32 far 0 93 0 - 7.3-7.9 QG2 ILE 7 - HB3 LYS 33 far 0 63 0 - 7.5-7.9 QD2 LEU 57 - HB VAL 32 far 0 100 0 - 7.7-8.5 HG13 ILE 15 - HB VAL 32 far 0 65 0 - 7.7-9.3 QD2 LEU 38 - HB3 LYS 33 far 0 40 0 - 7.8-8.3 QG2 ILE 15 - HB3 LYS 33 far 0 55 0 - 7.9-8.6 QG2 ILE 7 - HB2 LYS 33 far 0 68 0 - 8.0-8.3 QD2 LEU 42 - HB VAL 32 far 0 87 0 - 8.0-8.4 QG2 ILE 15 - HB2 LYS 33 far 0 60 0 - 8.6-9.2 HG13 ILE 15 - HB3 LYS 33 far 0 35 0 - 8.7-9.9 QD2 LEU 70 - HB VAL 32 far 0 95 0 - 8.7-9.9 QD1 LEU 57 - HB VAL 32 far 0 63 0 - 9.1-9.5 QD1 LEU 70 - HB2 LYS 33 far 0 53 0 - 9.3-10.2 QD1 LEU 6 - HB2 LYS 33 far 0 59 0 - 9.5-10.0 HG13 ILE 15 - HB2 LYS 33 far 0 38 0 - 9.7-11.0 QD1 LEU 70 - HB3 LYS 33 far 0 49 0 - 10.0-10.9 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 3.2-3.6 8941/3.6=42...(13) H LEU 38 - HA LYS 40 far 0 56 0 - 6.7-6.8 H ILE 76 - HA GLU 43 far 0 72 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 12058 from cnoeabs.peaks (1.68, 2.08, 29.40 ppm; 3.72 A increased from 3.50 A): 1 out of 29 assignments used, quality = 0.73: HD2 LYS 20 + HB2 GLU 16 OK 73 90 100 80 3.5-3.6 12146=46, 916/3.0=21...(16) HD2 LYS 24 - HB2 GLU 23 poor 16 78 20 - 3.7-8.3 HD3 LYS 20 - HB2 GLU 16 far 13 90 15 - 3.9-5.2 HG3 LYS 20 - HB2 GLU 16 far 9 90 10 - 4.0-6.4 HD2 LYS 13 - HB2 GLU 16 far 0 79 0 - 4.3-7.9 HD3 LYS 13 - HB2 GLU 16 far 0 76 0 - 4.3-7.6 HB3 LYS 40 - HB3 GLU 43 far 0 83 0 - 4.7-5.7 HD3 LYS 24 - HB2 GLU 23 far 0 77 0 - 5.2-9.0 HG LEU 70 - HB3 GLU 35 far 0 94 0 - 5.4-6.5 HD2 LYS 47 - HB3 GLU 43 far 0 83 0 - 5.4-8.0 HD3 LYS 12 - HB2 GLU 16 far 0 79 0 - 5.4-8.7 HD3 LYS 66 - HB3 GLU 35 far 0 91 0 - 5.5-7.5 HB2 LYS 40 - HB3 GLU 43 far 0 51 0 - 5.6-6.4 HD3 LYS 47 - HB3 GLU 43 far 0 83 0 - 5.7-7.5 HD2 LYS 12 - HB2 GLU 16 far 0 79 0 - 5.8-8.8 HD2 LYS 39 - HB3 GLU 35 far 0 84 0 - 6.3-8.4 HB3 LEU 70 - HB3 GLU 35 far 0 67 0 - 6.7-7.9 HD3 LYS 20 - HB2 GLU 23 far 0 84 0 - 6.8-10.0 HG3 LYS 20 - HB2 GLU 23 far 0 84 0 - 7.1-8.8 HD2 LYS 39 - HB3 GLU 43 far 0 63 0 - 7.1-9.0 HG2 PRO 86 - HB2 GLU 16 far 0 86 0 - 7.2-8.5 HD3 LYS 39 - HB3 GLU 43 far 0 43 0 - 7.3-8.2 HG12 ILE 15 - HB2 GLU 16 far 0 86 0 - 7.4-8.4 HD3 LYS 90 - HB2 GLU 16 far 0 83 0 - 7.5-9.9 HD3 LYS 39 - HB3 GLU 35 far 0 59 0 - 8.0-9.6 HD2 LYS 20 - HB2 GLU 23 far 0 85 0 - 8.5-9.7 HB2 LYS 40 - HB3 GLU 35 far 0 69 0 - 9.2-9.9 HB3 LEU 70 - HB3 GLU 43 far 0 49 0 - 9.5-10.6 HB3 LYS 40 - HB3 GLU 35 far 0 100 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 12060 from cnoeabs.peaks (1.80, 2.20, 36.40 ppm; 4.99 A): 5 out of 19 assignments used, quality = 1.00: HB2 LYS 39 + HG2 GLU 35 OK 99 100 100 99 3.1-5.1 10576=79, 10537/10534=65...(11) HB2 LEU 42 + HG2 GLU 43 OK 90 92 100 98 3.5-4.4 6687/1554=76...(7) HB2 LYS 66 + HG3 GLU 35 OK 62 69 100 90 2.5-4.9 3.6/12308=70...(10) HB2 LYS 66 + HG2 GLU 35 OK 41 69 75 79 3.2-6.1 ~12162=20, ~12161=20...(10) HB2 LYS 39 + HG3 GLU 35 OK 35 100 40 88 3.6-6.2 10576/1.8=68, 10576=20...(10) HG3 ARG 46 - HG2 GLU 43 poor 18 89 20 - 4.6-8.6 HB2 LYS 39 - HG2 GLU 43 far 9 93 10 - 5.1-6.6 HG2 ARG 46 - HG3 GLU 75 far 0 33 0 - 6.2-8.9 HB2 GLU 104 - HG2 GLU 99 far 0 38 0 - 6.2-17.2 HG2 ARG 46 - HG2 GLU 43 far 0 75 0 - 6.2-8.3 HG3 ARG 46 - HG3 GLU 75 far 0 41 0 - 6.3-9.6 HG2 ARG 46 - HG2 GLU 75 far 0 30 0 - 6.4-9.4 HG3 ARG 46 - HG2 GLU 75 far 0 37 0 - 6.6-9.4 HB2 LEU 42 - HG2 GLU 35 far 0 99 0 - 7.7-9.6 HB2 LEU 42 - HG3 GLU 35 far 0 99 0 - 7.8-9.9 HB3 GLU 63 - HG3 GLU 35 far 0 89 0 - 9.0-11.5 HB ILE 93 - HG2 GLU 99 far 0 39 0 - 9.5-12.3 HB3 GLU 63 - HG2 GLU 35 far 0 89 0 - 9.5-12.2 HB ILE 93 - HG2 GLU 98 far 0 47 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 12061 from cnoeabs.peaks (1.80, 2.20, 36.40 ppm; 4.99 A): 5 out of 19 assignments used, quality = 1.00: HB2 LYS 39 + HG2 GLU 35 OK 99 100 100 99 3.1-5.1 10576=79, 10537/10534=65...(11) HB2 LEU 42 + HG2 GLU 43 OK 90 92 100 98 3.5-4.4 6687/1554=76...(7) HB2 LYS 66 + HG3 GLU 35 OK 62 69 100 90 2.5-4.9 3.6/12308=70...(10) HB2 LYS 66 + HG2 GLU 35 OK 41 69 75 79 3.2-6.1 ~12162=20, ~12161=20...(10) HB2 LYS 39 + HG3 GLU 35 OK 35 100 40 88 3.6-6.2 10576/1.8=68, 10576=20...(10) HG3 ARG 46 - HG2 GLU 43 poor 18 89 20 - 4.6-8.6 HB2 LYS 39 - HG2 GLU 43 far 9 93 10 - 5.1-6.6 HG2 ARG 46 - HG3 GLU 75 far 0 33 0 - 6.2-8.9 HB2 GLU 104 - HG2 GLU 99 far 0 38 0 - 6.2-17.2 HG2 ARG 46 - HG2 GLU 43 far 0 75 0 - 6.2-8.3 HG3 ARG 46 - HG3 GLU 75 far 0 41 0 - 6.3-9.6 HG2 ARG 46 - HG2 GLU 75 far 0 30 0 - 6.4-9.4 HG3 ARG 46 - HG2 GLU 75 far 0 37 0 - 6.6-9.4 HB2 LEU 42 - HG2 GLU 35 far 0 99 0 - 7.7-9.6 HB2 LEU 42 - HG3 GLU 35 far 0 99 0 - 7.8-9.9 HB3 GLU 63 - HG3 GLU 35 far 0 89 0 - 9.0-11.5 HB ILE 93 - HG2 GLU 99 far 0 39 0 - 9.5-12.3 HB3 GLU 63 - HG2 GLU 35 far 0 89 0 - 9.5-12.2 HB ILE 93 - HG2 GLU 98 far 0 47 0 - 9.5-10.8 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 = 0.97: HG2 GLU 35 + HB2 LEU 38 OK 89 94 100 95 3.5-5.3 8954/6598=44...(9) HG3 GLU 35 + HB2 LEU 38 OK 74 94 95 83 3.4-6.2 4.1/1627=39...(8) HB2 GLU 63 - HB2 LEU 38 far 0 93 0 - 7.3-8.8 HG2 GLU 43 - HB2 LEU 38 far 0 99 0 - 8.3-9.5 Violated in 0 structures by 0.00 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 3.9-4.2 2.5/10548=74...(17) QE TYR 41 - QD1 LEU 38 far 0 85 0 - 5.6-5.9 HE21 GLN 72 - QD1 LEU 38 far 0 89 0 - 9.2-11.1 Violated in 0 structures by 0.00 A. Peak 12068 from cnoeabs.peaks (1.90, 0.86, 23.60 ppm; 3.81 A): 1 out of 9 assignments used, quality = 0.98: HG LEU 42 + QD1 LEU 38 OK 98 100 100 98 2.2-2.6 8921=55, 6675/8912=39...(14) HB3 LYS 39 - QD1 LEU 38 far 0 61 0 - 4.1-5.4 HB VAL 54 - QD1 LEU 38 far 0 96 0 - 5.3-5.9 HB3 LYS 66 - QD1 LEU 38 far 0 59 0 - 6.1-6.8 HB3 LYS 68 - QD1 LEU 38 far 0 79 0 - 6.6-7.2 HB ILE 8 - QD1 LEU 38 far 0 100 0 - 6.7-7.4 HB2 GLU 43 - QD1 LEU 38 far 0 100 0 - 8.6-9.0 HB VAL 5 - QD1 LEU 38 far 0 59 0 - 9.1-9.7 HB2 LYS 33 - QD1 LEU 38 far 0 95 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 12069 from cnoeabs.peaks (1.90, 0.82, 25.50 ppm; 4.28 A): 3 out of 27 assignments used, quality = 0.99: HG LEU 42 + QD2 LEU 38 OK 98 100 100 98 4.1-4.5 12068/2.1=83...(12) HB3 LYS 66 + QD1 LEU 70 OK 38 39 100 97 3.4-3.8 4.0/9506=36, 4.7/9519=36...(16) HB3 LYS 39 + QD1 LEU 70 OK 31 41 80 96 2.8-5.3 ~10569=40, ~10822=36...(14) HB ILE 8 - QD2 LEU 38 far 10 100 10 - 4.5-5.1 HB VAL 5 - QD2 LEU 57 far 2 35 5 - 4.4-6.5 HG LEU 42 - QD1 LEU 70 far 0 77 0 - 5.2-6.3 HB VAL 54 - QD2 LEU 38 far 0 96 0 - 6.1-6.8 HB3 LYS 66 - QD2 LEU 38 far 0 58 0 - 6.1-6.9 HB3 LYS 39 - QD2 LEU 38 far 0 61 0 - 6.2-7.0 HB ILE 8 - QD2 LEU 57 far 0 70 0 - 6.2-6.8 HB3 LYS 68 - QD1 LEU 70 far 0 54 0 - 7.0-7.7 HB VAL 54 - QD2 LEU 57 far 0 64 0 - 7.0-7.5 HB2 LYS 33 - QD2 LEU 38 far 0 94 0 - 7.3-7.9 HB3 LYS 68 - QD2 LEU 38 far 0 78 0 - 7.6-8.2 HB3 LYS 68 - QD2 LEU 57 far 0 49 0 - 7.6-8.9 HB3 LYS 33 - QD2 LEU 38 far 0 96 0 - 7.8-8.3 HB ILE 8 - QD1 LEU 70 far 0 77 0 - 7.9-8.7 HB VAL 5 - QD2 LEU 38 far 0 58 0 - 8.0-8.5 HB VAL 54 - QD1 LEU 70 far 0 71 0 - 8.8-9.6 HB2 LYS 94 - QD2 LEU 57 far 0 57 0 - 9.0-10.6 HB2 LYS 33 - QD1 LEU 70 far 0 69 0 - 9.3-10.2 HB3 LEU 14 - QD2 LEU 57 far 0 71 0 - 9.4-10.1 HG LEU 42 - QD2 LEU 57 far 0 70 0 - 9.5-10.3 HB3 ARG 19 - QD2 LEU 57 far 0 49 0 - 9.7-11.7 HB2 GLU 43 - QD1 LEU 70 far 0 76 0 - 9.9-10.7 HB2 ARG 19 - QD2 LEU 57 far 0 69 0 - 9.9-12.0 HB3 LYS 33 - QD1 LEU 70 far 0 71 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 12070 from cnoeabs.peaks (1.68, 0.86, 23.60 ppm; 4.33 A): 1 out of 15 assignments used, quality = 0.56: HB3 LEU 6 + QD1 LEU 38 OK 56 79 100 71 4.0-4.4 12071/2.1=27, ~10229=25...(8) HB3 LEU 70 - QD1 LEU 38 poor 18 61 100 29 3.6-4.2 ~1631=9, ~1647=5...(6) HG LEU 70 - QD1 LEU 38 far 0 90 0 - 4.8-5.9 HD2 LYS 39 - QD1 LEU 38 far 0 88 0 - 5.6-6.9 HB ILE 76 - QD1 LEU 38 far 0 71 0 - 6.1-6.5 HB2 LYS 40 - QD1 LEU 38 far 0 75 0 - 6.2-6.5 HD3 LYS 39 - QD1 LEU 38 far 0 65 0 - 6.5-7.3 HB3 LYS 40 - QD1 LEU 38 far 0 100 0 - 7.1-7.6 HG2 LYS 68 - QD1 LEU 38 far 0 67 0 - 7.1-7.7 HD3 LYS 66 - QD1 LEU 38 far 0 87 0 - 7.6-8.5 HD2 LYS 73 - QD1 LEU 38 far 0 99 0 - 7.9-10.2 HD3 LYS 68 - QD1 LEU 38 far 0 84 0 - 8.4-9.6 HD2 LYS 68 - QD1 LEU 38 far 0 85 0 - 8.6-9.7 HB3 ARG 79 - QD1 LEU 38 far 0 88 0 - 9.0-9.7 HD3 LYS 73 - QD1 LEU 38 far 0 98 0 - 9.1-10.4 Violated in 3 structures by 0.01 A. Peak 12071 from cnoeabs.peaks (1.65, 0.82, 25.50 ppm; 4.26 A): 3 out of 29 assignments used, quality = 0.94: HB3 LEU 6 + QD2 LEU 38 OK 85 100 100 85 2.4-2.9 10672/10674=42...(8) HB3 ARG 79 + QD2 LEU 57 OK 45 70 85 75 4.2-5.5 9252/9272=67...(3) HD2 LYS 39 + QD1 LEU 70 OK 26 77 35 95 3.8-5.6 ~10569=40, ~11009=32...(16) HD3 LYS 39 - QD1 LEU 70 far 0 75 0 - 5.3-6.2 HB3 LEU 6 - QD2 LEU 57 far 0 71 0 - 5.4-6.4 HD2 LYS 73 - QD1 LEU 70 far 0 69 0 - 6.2-7.7 HB2 LYS 40 - QD2 LEU 38 far 0 100 0 - 6.4-6.8 HG2 LYS 68 - QD1 LEU 70 far 0 76 0 - 6.4-6.9 HD3 LYS 73 - QD1 LEU 70 far 0 71 0 - 6.7-8.1 HB2 LYS 40 - QD1 LEU 70 far 0 77 0 - 7.1-8.0 HB3 LEU 6 - QD1 LEU 70 far 0 77 0 - 7.3-8.4 HB3 ARG 91 - QD2 LEU 57 far 0 44 0 - 7.5-7.9 HB3 LYS 40 - QD1 LEU 70 far 0 48 0 - 7.5-8.9 HB3 LYS 40 - QD2 LEU 38 far 0 71 0 - 7.6-8.1 HD2 LYS 39 - QD2 LEU 38 far 0 100 0 - 7.6-8.6 HB ILE 76 - QD1 LEU 70 far 0 76 0 - 7.9-8.9 HG2 LYS 68 - QD2 LEU 38 far 0 99 0 - 8.1-8.7 HB ILE 76 - QD2 LEU 38 far 0 99 0 - 8.2-8.7 HD3 LYS 68 - QD2 LEU 57 far 0 71 0 - 8.3-10.3 HD2 LYS 68 - QD1 LEU 70 far 0 77 0 - 8.3-9.0 HD3 LYS 68 - QD1 LEU 70 far 0 78 0 - 8.4-9.1 HD2 LYS 68 - QD2 LEU 57 far 0 71 0 - 8.6-11.3 HB3 LYS 53 - QD2 LEU 57 far 0 40 0 - 8.6-9.2 HD3 LYS 39 - QD2 LEU 38 far 0 99 0 - 8.7-9.3 HG2 LYS 68 - QD2 LEU 57 far 0 69 0 - 9.1-10.3 HD3 LYS 68 - QD2 LEU 38 far 0 100 0 - 9.2-10.5 HB3 ARG 79 - QD2 LEU 38 far 0 100 0 - 9.3-10.0 HD2 LYS 68 - QD2 LEU 38 far 0 100 0 - 9.3-10.8 HD2 LYS 94 - QD2 LEU 57 far 0 52 0 - 9.8-12.0 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 1.9-2.3 9602/1.8=96...(18) HB2 ARG 46 - HG2 LYS 39 far 0 65 0 - 7.2-9.7 HB2 GLU 35 - HG2 LYS 39 far 0 100 0 - 7.7-8.7 HB2 GLU 37 - HG2 LYS 39 far 0 71 0 - 9.2-9.6 QE MET 74 - HG3 LYS 68 far 0 64 0 - 9.3-10.7 HB2 GLU 44 - HG2 LYS 39 far 0 98 0 - 9.4-10.7 HB3 GLU 44 - HG2 LYS 39 far 0 98 0 - 9.8-11.4 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 10 assignments used, quality = 0.97: QE MET 74 + HG3 LYS 39 OK 97 98 100 100 2.0-3.4 9602=96, 12193/1.8=46...(18) HB3 MET 74 - HG3 LYS 39 far 0 84 0 - 5.4-7.9 HB2 LYS 73 - HG3 LYS 39 far 0 75 0 - 5.9-10.7 HB2 GLU 35 - HG3 LYS 39 far 0 93 0 - 7.0-8.8 HB3 LYS 73 - HG3 LYS 39 far 0 73 0 - 7.2-10.5 HB2 ARG 46 - HG3 LYS 39 far 0 97 0 - 7.5-10.3 HB3 ARG 46 - HG3 LYS 39 far 0 79 0 - 8.0-9.6 HB2 GLU 37 - HG3 LYS 39 far 0 98 0 - 8.7-9.4 HB2 GLU 44 - HG3 LYS 39 far 0 98 0 - 9.2-11.3 HB3 GLU 44 - HG3 LYS 39 far 0 98 0 - 9.3-11.9 Violated in 0 structures by 0.00 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 3.9-4.5 12077/1.8=92...(9) 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 3.3-3.9 2.2/8127=82...(9) 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 3.3-3.9 2.2/8127=82...(9) Violated in 0 structures by 0.00 A. Peak 12082 from cnoeabs.peaks (1.46, 0.69, 25.60 ppm; 4.12 A increased from 3.66 A): 3 out of 22 assignments used, quality = 0.99: HG LEU 38 + QD1 LEU 42 OK 90 100 95 94 4.1-4.4 ~12068=49, ~8921=30...(12) HB2 LEU 38 + QD1 LEU 42 OK 88 100 90 98 3.7-5.0 6600/625=45...(15) HG3 LYS 39 + QD1 LEU 42 OK 32 92 35 99 3.6-5.0 1.8/10570=80...(9) HG12 ILE 7 - QD1 LEU 14 far 0 57 0 - 4.7-5.3 HG13 ILE 76 - QD1 LEU 42 far 0 86 0 - 5.0-5.4 HG2 LYS 73 - QD1 LEU 42 far 0 73 0 - 5.7-6.8 HG2 LYS 13 - QD1 LEU 14 far 0 68 0 - 7.2-8.0 HG3 LYS 13 - QD1 LEU 14 far 0 55 0 - 7.4-7.9 HD2 LYS 40 - QD1 LEU 42 far 0 100 0 - 8.4-9.2 HD3 LYS 40 - QD1 LEU 42 far 0 100 0 - 8.5-9.4 HG3 LYS 66 - QD1 LEU 42 far 0 71 0 - 8.5-9.4 HG2 LYS 66 - QD1 LEU 42 far 0 75 0 - 8.8-9.6 HB2 ARG 91 - QD1 LEU 14 far 0 74 0 - 8.9-9.7 HG2 LYS 12 - QD1 LEU 14 far 0 88 0 - 9.0-9.5 QB ALA 22 - QD1 LEU 14 far 0 76 0 - 9.0-9.5 HG2 LYS 47 - QD1 LEU 42 far 0 75 0 - 9.1-10.6 HG2 LYS 20 - QD1 LEU 14 far 0 94 0 - 9.2-11.9 HD2 LYS 82 - QD1 LEU 14 far 0 94 0 - 9.4-9.8 HG LEU 64 - QD1 LEU 42 far 0 91 0 - 9.5-10.2 HG LEU 29 - QD1 LEU 14 far 0 76 0 - 9.6-10.3 HG13 ILE 52 - QD1 LEU 42 far 0 100 0 - 9.6-10.4 HB3 LEU 64 - QD1 LEU 14 far 0 68 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 12083 from cnoeabs.peaks (1.46, 0.77, 21.90 ppm; 4.58 A increased from 3.86 A): 1 out of 13 assignments used, quality = 0.86: HG13 ILE 76 + QD2 LEU 42 OK 86 86 100 100 4.0-4.4 1.8/10599=85, ~9667=53...(18) HG LEU 38 - QD2 LEU 42 far 0 100 0 - 5.2-5.9 HB2 LEU 38 - QD2 LEU 42 far 0 99 0 - 5.6-6.7 HG3 LYS 39 - QD2 LEU 42 far 0 92 0 - 6.0-7.2 HG13 ILE 52 - QD2 LEU 42 far 0 100 0 - 7.0-7.8 HG2 LYS 73 - QD2 LEU 42 far 0 72 0 - 7.6-8.6 HG2 LYS 47 - QD2 LEU 42 far 0 74 0 - 7.8-9.3 HG2 LYS 53 - QD2 LEU 42 far 0 100 0 - 7.9-8.9 HG3 LYS 53 - QD2 LEU 42 far 0 99 0 - 8.8-9.7 HD3 LYS 40 - QD2 LEU 42 far 0 99 0 - 9.3-10.0 HD2 LYS 40 - QD2 LEU 42 far 0 100 0 - 9.4-10.1 HG LEU 29 - QD2 LEU 42 far 0 84 0 - 9.7-10.3 HD2 LYS 53 - QD2 LEU 42 far 0 100 0 - 9.7-10.8 Violated in 0 structures by 0.00 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 3.9-5.1 1.8/10171=96, 10170=92...(9) HD2 ARG 46 - HA LYS 40 far 0 96 0 - 8.8-10.0 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 3.0-4.4 10171=99, 1.8/12084=72...(10) HB3 TRP 92 - HA ARG 91 far 0 98 0 - 6.5-6.6 HD3 ARG 46 - HA LYS 40 far 0 87 0 - 7.6-9.4 Violated in 0 structures by 0.00 A. Peak 12086 from cnoeabs.peaks (1.82, 3.88, 59.10 ppm; 4.33 A increased from 3.85 A): 5 out of 14 assignments used, quality = 1.00: HB2 LEU 42 + HA GLU 43 OK 95 97 100 98 4.4-4.5 6687/2.9=71, ~6688=46...(12) HB2 LYS 90 + HA ARG 91 OK 95 97 100 98 4.1-4.3 7433/3.0=60, 3.0/9956=48...(12) HB3 LYS 90 + HA ARG 91 OK 92 94 100 98 4.3-4.6 3.0/9956=48...(12) HB2 LYS 39 + HA LYS 40 OK 53 73 75 98 4.3-5.5 6620/2.9=65, ~6621=44...(13) HG3 ARG 46 + HA GLU 43 OK 24 71 35 98 3.0-5.8 3.0/10171=62...(10) HG2 ARG 46 - HA GLU 43 far 5 100 5 - 4.6-5.5 HB2 LYS 39 - HA GLU 35 far 0 82 0 - 4.7-6.1 HB2 LEU 42 - HA LYS 40 far 0 82 0 - 4.9-5.2 HB ILE 93 - HA ARG 91 far 0 91 0 - 5.3-5.8 HB2 LYS 39 - HA GLU 43 far 0 89 0 - 7.8-8.4 HB2 GLU 88 - HA ARG 91 far 0 96 0 - 7.8-8.2 HG3 ARG 46 - HA LYS 40 far 0 56 0 - 7.8-11.2 HB2 LEU 42 - HA GLU 35 far 0 92 0 - 8.4-9.1 HG2 ARG 46 - HA LYS 40 far 0 86 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 12087 from cnoeabs.peaks (1.79, 3.88, 59.10 ppm; 4.27 A increased from 3.80 A): 4 out of 16 assignments used, quality = 1.00: HB2 LEU 42 + HA GLU 43 OK 92 95 100 98 4.4-4.5 6687/2.9=68, ~6688=44...(12) HB2 LYS 90 + HA ARG 91 OK 84 86 100 98 4.1-4.3 7433/3.0=53, 10561=48...(11) HB2 LYS 39 + HA LYS 40 OK 63 85 75 98 4.3-5.5 6620/2.9=71, ~6621=43...(13) HG3 ARG 46 + HA GLU 43 OK 34 100 35 98 3.0-5.8 3.0/10171=60...(10) HB2 LYS 66 - HA GLU 35 far 4 80 5 - 4.5-5.6 HG2 ARG 46 - HA GLU 43 far 0 67 0 - 4.6-5.5 HB2 LYS 39 - HA GLU 35 far 0 94 0 - 4.7-6.1 HB2 LEU 42 - HA LYS 40 far 0 78 0 - 4.9-5.2 HB ILE 93 - HA ARG 91 far 0 95 0 - 5.3-5.8 HB2 LYS 39 - HA GLU 43 far 0 99 0 - 7.8-8.4 HB2 GLU 88 - HA ARG 91 far 0 89 0 - 7.8-8.2 HG3 ARG 46 - HA LYS 40 far 0 87 0 - 7.8-11.2 HB2 LEU 42 - HA GLU 35 far 0 88 0 - 8.4-9.1 HB3 GLU 63 - HA GLU 35 far 0 92 0 - 8.6-9.9 HG2 ARG 46 - HA LYS 40 far 0 52 0 - 9.6-10.9 HB ILE 56 - HA GLU 35 far 0 75 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 12088 from cnoeabs.peaks (1.49, 3.92, 58.90 ppm; 4.11 A): 1 out of 4 assignments used, quality = 0.90: HG2 LYS 47 + HA GLU 44 OK 90 90 100 100 2.2-3.0 1.8/12089=70...(19) HD3 LYS 40 - HA GLU 44 far 0 71 0 - 8.8-10.2 HG13 ILE 52 - HA GLU 44 far 0 58 0 - 8.9-9.7 HD2 LYS 40 - HA GLU 44 far 0 70 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 12089 from cnoeabs.peaks (1.62, 3.92, 58.90 ppm; 4.34 A): 1 out of 2 assignments used, quality = 0.90: HG3 LYS 47 + HA GLU 44 OK 90 90 100 100 2.3-4.2 1.8/12088=83, 10615=65...(17) HB2 LYS 40 - HA GLU 44 far 0 70 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 12090 from cnoeabs.peaks (1.68, 3.92, 58.90 ppm; 3.91 A): 2 out of 5 assignments used, quality = 0.95: HD3 LYS 47 + HA GLU 44 OK 89 90 100 98 2.4-3.8 3.0/12088=55...(17) HD2 LYS 47 + HA GLU 44 OK 57 90 65 98 2.3-4.7 3.0/12088=55...(16) HB3 LYS 40 - HA GLU 44 far 0 90 0 - 8.5-9.5 HB ILE 52 - HA GLU 44 far 0 87 0 - 8.8-9.3 HB2 LYS 40 - HA GLU 44 far 0 57 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 12091 from cnoeabs.peaks (1.68, 3.92, 58.90 ppm; 3.91 A): 2 out of 5 assignments used, quality = 0.95: HD3 LYS 47 + HA GLU 44 OK 89 90 100 98 2.4-3.8 3.0/12088=55...(17) HD2 LYS 47 + HA GLU 44 OK 57 90 65 98 2.3-4.7 3.0/12088=55...(16) HB3 LYS 40 - HA GLU 44 far 0 90 0 - 8.5-9.5 HB ILE 52 - HA GLU 44 far 0 87 0 - 8.8-9.3 HB2 LYS 40 - HA GLU 44 far 0 57 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 12097 from cnoeabs.peaks (1.53, 6.14, 127.50 ppm; 6.50 A): 3 out of 7 assignments used, quality = 1.00: HG LEU 6 + HZ PHE 45 OK 100 100 100 100 3.3-4.2 2.1/8214=100...(14) HG3 ARG 30 + HZ PHE 45 OK 100 100 100 100 2.8-5.0 1.8/8701=97, 3.0/8707=86...(6) HB3 GLU 28 + HZ PHE 45 OK 21 71 100 29 5.7-6.7 8146/8127=18, 8143/14691=12 HG12 ILE 56 - HZ PHE 45 far 0 100 0 - 7.9-9.1 HG2 LYS 47 - HZ PHE 45 far 0 59 0 - 9.0-10.4 HB ILE 7 - HZ PHE 45 far 0 99 0 - 9.7-10.4 HB2 LEU 3 - HZ PHE 45 far 0 88 0 - 10.0-10.6 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 7 assignments used, quality = 1.00: QG2 ILE 76 + HB2 PHE 45 OK 100 100 100 100 3.0-3.7 3452/9669=93...(18) QG2 ILE 76 + HB3 PHE 45 OK 94 94 100 100 3.4-4.0 9632/2.5=78, ~9669=70...(18) QD1 LEU 2 + HB3 PHE 45 OK 23 94 35 70 5.3-6.6 10640/9174=40...(3) QD1 LEU 38 - HB2 PHE 45 far 0 91 0 - 6.4-6.9 QD1 LEU 2 - HB2 PHE 45 far 0 100 0 - 6.6-8.0 QD1 LEU 38 - HB3 PHE 45 far 0 83 0 - 7.4-7.9 QG1 VAL 32 - HB2 PHE 45 far 0 82 0 - 9.9-10.4 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 7 assignments used, quality = 1.00: QG2 ILE 76 + HB3 PHE 45 OK 100 100 100 100 3.4-4.0 9632/2.5=79, ~9669=71...(18) QG2 ILE 76 + HB2 PHE 45 OK 94 94 100 100 3.0-3.7 3452/9669=94...(18) QD1 LEU 2 + HB3 PHE 45 OK 26 100 35 76 5.3-6.6 10640/9174=43...(3) QD1 LEU 38 - HB2 PHE 45 far 0 83 0 - 6.4-6.9 QD1 LEU 2 - HB2 PHE 45 far 0 94 0 - 6.6-8.0 QD1 LEU 38 - HB3 PHE 45 far 0 91 0 - 7.4-7.9 QG1 VAL 32 - HB2 PHE 45 far 0 73 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 12105 from cnoeabs.peaks (3.92, 2.97, 41.80 ppm; 5.29 A increased from 4.23 A): 2 out of 13 assignments used, quality = 0.98: HA GLU 44 + HE2 LYS 47 OK 90 95 95 100 2.0-5.7 12088/3.8=77...(12) HA GLU 44 + HE3 LYS 47 OK 81 95 85 100 3.3-6.0 12088/3.8=77...(13) HA GLU 43 - HE2 LYS 47 far 3 61 5 - 5.5-9.0 HA GLU 43 - HE3 LYS 47 far 0 61 0 - 5.7-8.8 HA TYR 41 - HE2 LYS 47 far 0 99 0 - 7.6-11.6 HB3 SER 9 - HE3 LYS 12 far 0 99 0 - 7.6-11.7 HA ARG 91 - HE2 LYS 24 far 0 68 0 - 8.5-14.1 HA TYR 41 - HE3 LYS 47 far 0 99 0 - 8.6-11.9 HA GLU 35 - HE3 LYS 73 far 0 44 0 - 9.3-14.2 HA GLU 43 - HE3 LYS 73 far 0 38 0 - 9.3-14.9 HA GLU 35 - HE2 LYS 73 far 0 52 0 - 9.3-14.6 HB2 SER 97 - HE2 LYS 24 far 0 75 0 - 9.5-12.5 HA ARG 91 - HE3 LYS 24 far 0 68 0 - 9.7-14.1 Violated in 0 structures by 0.00 A. Peak 12106 from cnoeabs.peaks (3.92, 2.97, 41.80 ppm; 5.29 A increased from 4.23 A): 2 out of 13 assignments used, quality = 0.98: HA GLU 44 + HE2 LYS 47 OK 90 95 95 100 2.0-5.7 12088/3.8=77...(12) HA GLU 44 + HE3 LYS 47 OK 81 95 85 100 3.3-6.0 12088/3.8=77...(13) HA GLU 43 - HE2 LYS 47 far 3 61 5 - 5.5-9.0 HA GLU 43 - HE3 LYS 47 far 0 61 0 - 5.7-8.8 HA TYR 41 - HE2 LYS 47 far 0 99 0 - 7.6-11.6 HB3 SER 9 - HE3 LYS 12 far 0 99 0 - 7.6-11.7 HA ARG 91 - HE2 LYS 24 far 0 68 0 - 8.5-14.1 HA TYR 41 - HE3 LYS 47 far 0 99 0 - 8.6-11.9 HA GLU 35 - HE3 LYS 73 far 0 44 0 - 9.3-14.2 HA GLU 43 - HE3 LYS 73 far 0 38 0 - 9.3-14.9 HA GLU 35 - HE2 LYS 73 far 0 52 0 - 9.3-14.6 HB2 SER 97 - HE2 LYS 24 far 0 75 0 - 9.5-12.5 HA ARG 91 - HE3 LYS 24 far 0 68 0 - 9.7-14.1 Violated in 0 structures by 0.00 A. Peak 12107 from cnoeabs.peaks (8.63, 0.73, 20.80 ppm; 5.04 A): 1 out of 3 assignments used, quality = 0.98: H LEU 55 + QG1 VAL 5 OK 98 98 100 100 3.4-4.0 6909/2.1=95, 9295/3.2=89...(15) H LEU 55 - QG2 VAL 78 far 0 70 0 - 5.8-6.4 H ALA 18 - QG1 VAL 5 far 0 76 0 - 6.6-7.4 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 2.8-3.5 6909=92, 9295/3.2=83...(14) H ALA 18 - QG2 VAL 5 far 0 84 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 12109 from cnoeabs.peaks (4.24, 0.78, 17.80 ppm; 6.05 A): 1 out of 2 assignments used, quality = 1.00: HA SER 49 + QG2 ILE 52 OK 100 100 100 100 1.8-2.4 9053/2.1=98, 3.0/9066=97...(26) HB THR 31 - QG2 ILE 8 far 10 66 15 - 5.8-6.9 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 2.1-3.7 8027/1.8=93...(22) HB3 MET 1 - HD2 LYS 53 far 0 89 0 - 6.4-7.5 HB2 MET 1 - HD2 LYS 53 far 0 59 0 - 6.7-7.5 HG3 GLU 88 - HB2 ARG 91 far 0 33 0 - 6.9-7.9 HB2 GLU 17 - HB2 ARG 91 far 0 31 0 - 8.6-9.4 HB3 GLU 17 - HB2 ARG 91 far 0 47 0 - 9.7-10.6 Violated in 0 structures by 0.00 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 3.3-4.3 12114/1.8=91, 8027=85...(21) HB2 MET 1 - HD3 LYS 53 far 0 59 0 - 7.6-9.0 HB3 MET 1 - HD3 LYS 53 far 0 89 0 - 7.6-9.0 Violated in 0 structures by 0.00 A. Peak 12116 from cnoeabs.peaks (1.98, 2.83, 41.80 ppm; 4.19 A increased from 3.72 A): 3 out of 12 assignments used, quality = 0.97: QE MET 1 + HE2 LYS 53 OK 79 100 80 98 2.1-4.9 8027/3.0=62, 8029=54...(13) QE MET 1 + HE3 LYS 53 OK 78 100 80 98 1.9-4.6 8027/3.0=62...(13) HB2 GLU 17 + HE2 LYS 90 OK 43 44 100 98 2.0-4.5 ~10433=45, ~9045=36...(23) HB3 GLU 17 - HE2 LYS 90 far 6 65 10 - 3.2-5.9 HB3 MET 1 - HE3 LYS 53 far 0 89 0 - 5.9-10.0 HB2 MET 1 - HE3 LYS 53 far 0 59 0 - 6.3-10.0 HB3 MET 1 - HE2 LYS 53 far 0 90 0 - 6.9-10.4 HG3 GLU 88 - HE3 LYS 82 far 0 25 0 - 7.4-9.2 HB2 MET 1 - HE2 LYS 53 far 0 59 0 - 7.4-10.3 HB2 LYS 24 - HE2 LYS 90 far 0 75 0 - 8.0-10.6 HG3 GLU 88 - HE2 LYS 90 far 0 47 0 - 8.2-11.0 HB3 LYS 24 - HE2 LYS 90 far 0 75 0 - 8.9-11.7 Violated in 0 structures by 0.00 A. Peak 12117 from cnoeabs.peaks (1.98, 2.83, 41.80 ppm; 4.19 A increased from 3.72 A): 3 out of 12 assignments used, quality = 0.97: QE MET 1 + HE2 LYS 53 OK 79 100 80 98 2.1-4.9 8027/3.0=62, 8029=54...(13) QE MET 1 + HE3 LYS 53 OK 78 100 80 98 1.9-4.6 8027/3.0=62...(13) HB2 GLU 17 + HE2 LYS 90 OK 43 44 100 98 2.0-4.5 ~10433=45, ~9045=36...(23) HB3 GLU 17 - HE2 LYS 90 far 6 65 10 - 3.2-5.9 HB3 MET 1 - HE3 LYS 53 far 0 89 0 - 5.9-10.0 HB2 MET 1 - HE3 LYS 53 far 0 59 0 - 6.3-10.0 HB3 MET 1 - HE2 LYS 53 far 0 90 0 - 6.9-10.4 HG3 GLU 88 - HE3 LYS 82 far 0 25 0 - 7.4-9.2 HB2 MET 1 - HE2 LYS 53 far 0 59 0 - 7.4-10.3 HB2 LYS 24 - HE2 LYS 90 far 0 75 0 - 8.0-10.6 HG3 GLU 88 - HE2 LYS 90 far 0 47 0 - 8.2-11.0 HB3 LYS 24 - HE2 LYS 90 far 0 75 0 - 8.9-11.7 Violated in 0 structures by 0.00 A. Peak 12119 from cnoeabs.peaks (3.89, 2.83, 41.80 ppm; 6.11 A): 4 out of 15 assignments used, quality = 1.00: HA3 GLY 101 + HE3 LYS 53 OK 98 100 100 98 2.1-6.3 12004=51, 10101/3.0=43...(18) HA3 GLY 101 + HE2 LYS 53 OK 93 100 95 98 2.0-8.0 12004=49, 12004/1.8=43...(18) HA2 GLY 101 + HE2 LYS 53 OK 78 85 95 96 2.6-9.1 1.8/12004=41, ~12004=35...(16) HA2 GLY 101 + HE3 LYS 53 OK 77 85 95 95 2.2-7.3 1.8/12004=43, ~12004=34...(15) HB2 SER 102 - HE3 LYS 53 poor 20 100 20 - 5.3-10.1 HA2 GLY 100 - HE2 LYS 53 far 9 85 10 - 4.6-8.9 HA2 GLY 100 - HE3 LYS 53 far 8 85 10 - 3.1-8.8 HB2 SER 102 - HE2 LYS 53 lone 2 100 30 6 4.9-9.2 4.0/3990=4 HA ARG 91 - HE2 LYS 90 far 0 85 0 - 7.0-8.5 HA ALA 89 - HE2 LYS 90 far 0 82 0 - 7.2-8.9 HB2 SER 85 - HE2 LYS 90 far 0 81 0 - 8.2-10.5 HB2 SER 85 - HE3 LYS 82 far 0 45 0 - 8.9-11.5 HB3 SER 49 - HE2 LYS 53 far 0 70 0 - 9.7-12.4 HA LYS 94 - HE2 LYS 90 far 0 66 0 - 9.8-11.5 HB3 SER 49 - HE3 LYS 53 far 0 69 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 12121 from cnoeabs.peaks (3.89, 2.83, 41.80 ppm; 6.11 A): 4 out of 15 assignments used, quality = 1.00: HA3 GLY 101 + HE3 LYS 53 OK 98 100 100 98 2.1-6.3 12004=51, 10101/3.0=43...(18) HA3 GLY 101 + HE2 LYS 53 OK 93 100 95 98 2.0-8.0 12004=49, 12004/1.8=43...(18) HA2 GLY 101 + HE2 LYS 53 OK 78 85 95 96 2.6-9.1 1.8/12004=41, ~12004=35...(16) HA2 GLY 101 + HE3 LYS 53 OK 77 85 95 95 2.2-7.3 1.8/12004=43, ~12004=34...(15) HB2 SER 102 - HE3 LYS 53 poor 20 100 20 - 5.3-10.1 HA2 GLY 100 - HE2 LYS 53 far 9 85 10 - 4.6-8.9 HA2 GLY 100 - HE3 LYS 53 far 8 85 10 - 3.1-8.8 HB2 SER 102 - HE2 LYS 53 lone 2 100 30 6 4.9-9.2 4.0/3990=4 HA ARG 91 - HE2 LYS 90 far 0 85 0 - 7.0-8.5 HA ALA 89 - HE2 LYS 90 far 0 82 0 - 7.2-8.9 HB2 SER 85 - HE2 LYS 90 far 0 81 0 - 8.2-10.5 HB2 SER 85 - HE3 LYS 82 far 0 45 0 - 8.9-11.5 HB3 SER 49 - HE2 LYS 53 far 0 70 0 - 9.7-12.4 HA LYS 94 - HE2 LYS 90 far 0 66 0 - 9.8-11.5 HB3 SER 49 - HE3 LYS 53 far 0 69 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 12122 from cnoeabs.peaks (3.21, 1.46, 25.00 ppm; 4.68 A): 1 out of 7 assignments used, quality = 1.00: HB2 ASP 77 + HG2 LYS 53 OK 100 100 100 100 2.9-4.7 9674=89, 9673/3.9=60...(8) HB2 ASP 77 - HG3 LYS 53 far 15 99 15 - 4.7-6.4 HD3 ARG 19 - HG2 LYS 12 far 0 58 0 - 6.0-9.6 HD3 ARG 19 - HG2 LYS 20 far 0 66 0 - 6.1-8.7 HD2 ARG 19 - HG2 LYS 12 far 0 58 0 - 6.3-9.8 HD2 ARG 19 - HG2 LYS 20 far 0 66 0 - 7.1-8.8 HB2 HIS 106 - HG2 LYS 53 far 0 83 0 - 9.1-20.4 Violated in 1 structures by 0.00 A. Peak 12123 from cnoeabs.peaks (2.63, 1.46, 25.00 ppm; 5.64 A): 1 out of 2 assignments used, quality = 1.00: HB3 ASP 77 + HG2 LYS 53 OK 100 100 100 100 4.1-5.4 1.8/12122=97...(5) HB3 ASP 77 - HG3 LYS 53 far 5 98 5 - 5.7-7.2 Violated in 0 structures by 0.00 A. Peak 12124 from cnoeabs.peaks (3.21, 1.47, 25.00 ppm; 4.74 A): 1 out of 11 assignments used, quality = 0.98: HB2 ASP 77 + HG2 LYS 53 OK 98 99 100 99 2.9-4.7 9674=70, 9673/3.9=61...(8) HB2 ASP 77 - HG3 LYS 53 far 15 100 15 - 4.7-6.4 HD3 ARG 46 - HG2 LYS 47 far 0 72 0 - 5.9-8.3 HD3 ARG 19 - HG2 LYS 12 far 0 42 0 - 6.0-9.6 HD3 ARG 19 - HG2 LYS 20 far 0 58 0 - 6.1-8.7 HD2 ARG 19 - HG2 LYS 12 far 0 42 0 - 6.3-9.8 HD2 ARG 19 - HG2 LYS 20 far 0 58 0 - 7.1-8.8 HD3 ARG 46 - HG2 LYS 73 far 0 70 0 - 8.3-11.2 HB2 HIS 106 - HG2 LYS 53 far 0 81 0 - 9.1-20.4 HD2 ARG 19 - HG3 LYS 13 far 0 38 0 - 9.5-13.8 HD3 ARG 19 - HG3 LYS 13 far 0 38 0 - 9.7-13.7 Violated in 0 structures by 0.00 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 4.1-5.4 1.8/12124=100...(6) HG3 MET 74 + HG2 LYS 73 OK 68 77 90 99 4.4-6.9 7229/7219=70, ~12187=39...(9) HB3 ASP 77 + HG3 LYS 53 OK 60 100 60 100 5.7-7.2 ~9674=94, ~12122=91...(6) HB3 ASP 65 - HG2 LYS 73 far 0 75 0 - 9.2-10.7 HG3 MET 74 - HG2 LYS 47 far 0 79 0 - 9.6-13.2 HB3 TYR 41 - HG2 LYS 47 far 0 79 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 12126 from cnoeabs.peaks (0.71, 1.89, 35.50 ppm; 3.14 A): 1 out of 12 assignments used, quality = 0.59: QG1 VAL 78 + HB VAL 54 OK 59 66 100 89 1.9-2.1 10350=43, 2.1/10349=39...(11) QG2 VAL 78 - HB VAL 54 far 0 98 0 - 3.6-4.1 QD1 ILE 56 - HB VAL 54 far 0 100 0 - 3.7-4.1 HG13 ILE 56 - HB VAL 54 far 0 99 0 - 4.2-4.9 QD1 LEU 42 - HB VAL 54 far 0 88 0 - 5.2-5.8 QD1 ILE 52 - HB VAL 54 far 0 95 0 - 5.3-6.7 QD2 LEU 6 - HB VAL 54 far 0 86 0 - 6.1-6.7 QG1 VAL 5 - HB VAL 54 far 0 95 0 - 6.6-7.0 QD1 ILE 8 - HB VAL 54 far 0 100 0 - 8.2-8.6 QG1 VAL 58 - HB VAL 54 far 0 98 0 - 8.7-9.1 QD1 LEU 64 - HB VAL 54 far 0 74 0 - 9.2-10.0 QD2 LEU 27 - HB VAL 54 far 0 92 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 12127 from cnoeabs.peaks (5.11, 0.76, 21.40 ppm; 4.07 A): 1 out of 8 assignments used, quality = 0.98: HA VAL 5 + QG1 VAL 54 OK 98 100 100 98 2.7-3.1 6059/6068=70...(13) HA TYR 4 - QG1 VAL 54 far 0 71 0 - 4.5-5.1 HA LEU 3 - QG1 VAL 54 far 0 94 0 - 5.9-6.5 HA VAL 5 - QG1 VAL 78 far 0 84 0 - 6.4-6.7 HA ILE 7 - QG1 VAL 54 far 0 91 0 - 6.5-7.0 HA LEU 3 - QG1 VAL 78 far 0 74 0 - 6.9-7.9 HA TYR 4 - QG1 VAL 78 far 0 53 0 - 7.6-8.3 HA ILE 7 - QG1 VAL 78 far 0 71 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 12128 from cnoeabs.peaks (5.11, 0.65, 22.10 ppm; 5.22 A increased from 4.40 A): 3 out of 4 assignments used, quality = 1.00: HA VAL 5 + QG2 VAL 54 OK 99 100 100 100 4.7-5.3 12127/2.1=96...(8) HA LEU 3 + QG2 VAL 54 OK 79 93 100 84 4.5-5.3 3.6/9227=71...(5) HA TYR 4 + QG2 VAL 54 OK 70 70 100 100 4.4-5.2 3.0/9239=88, 3.0/9238=82...(19) HA ILE 7 - QG2 VAL 54 far 0 90 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 12131 from cnoeabs.peaks (0.93, 5.39, 52.10 ppm; 4.34 A): 2 out of 6 assignments used, quality = 0.79: QG2 VAL 83 + HA LEU 57 OK 68 69 100 100 3.3-3.6 2.1/9797=62, 9819/2.9=47...(16) HB2 ARG 81 + HA LEU 57 OK 32 100 35 93 4.3-5.3 1.8/12132=60...(6) HG LEU 55 - HA LEU 57 poor 13 67 20 - 4.5-4.7 HG13 ILE 7 - HA LEU 57 far 0 63 0 - 6.2-7.1 QG2 VAL 5 - HA LEU 57 far 0 94 0 - 7.1-7.7 QG1 VAL 32 - HA LEU 57 far 0 87 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 12132 from cnoeabs.peaks (1.06, 5.39, 52.10 ppm; 5.05 A): 1 out of 3 assignments used, quality = 0.97: HB3 ARG 81 + HA LEU 57 OK 97 100 100 98 3.4-4.0 7316/11122=76, 12209=49...(7) HB3 LEU 55 - HA LEU 57 far 0 72 0 - 6.2-7.5 HG2 LYS 82 - HA LEU 57 far 0 100 0 - 6.3-6.6 Violated in 0 structures by 0.00 A. Peak 12133 from cnoeabs.peaks (0.89, 1.82, 42.40 ppm; 4.80 A): 1 out of 6 assignments used, quality = 0.99: HG13 ILE 7 + HB3 LEU 57 OK 99 99 100 100 3.9-4.5 8285=100, 1.8/8284=86...(12) HG13 ILE 8 - HB3 LEU 57 far 10 99 10 - 4.9-7.7 QG1 VAL 32 - HB3 LEU 57 far 0 94 0 - 8.3-8.7 QD1 LEU 38 - HB3 LEU 57 far 0 76 0 - 8.3-8.8 QD2 LEU 64 - HB3 LEU 57 far 0 79 0 - 9.1-9.6 QD1 LEU 103 - HB3 LEU 57 far 0 82 0 - 9.9-22.1 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 4 assignments used, quality = 0.99: HG12 ILE 7 + HB3 LEU 57 OK 99 99 100 100 2.5-3.1 8284=98, 2.1/8287=79...(13) HG LEU 29 - HB3 LEU 57 far 0 95 0 - 6.6-7.3 QB ALA 22 - HB3 LEU 57 far 0 95 0 - 7.7-8.0 HG LEU 38 - HB3 LEU 57 far 0 58 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 12135 from cnoeabs.peaks (1.34, 1.82, 42.40 ppm; 5.33 A): 1 out of 6 assignments used, quality = 0.99: QB ALA 89 + HB3 LEU 57 OK 99 100 100 100 4.0-4.5 ~10698=60, ~9541=60...(13) HG12 ILE 8 - HB3 LEU 57 far 9 88 10 - 5.5-6.4 HG LEU 14 - HB3 LEU 57 far 0 98 0 - 6.7-7.3 QB ALA 67 - HB3 LEU 57 far 0 99 0 - 7.0-7.2 HB2 LYS 82 - HB3 LEU 57 far 0 100 0 - 9.0-9.2 HB3 ARG 30 - HB3 LEU 57 far 0 76 0 - 9.2-9.8 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 51 assignments used, quality = 0.99: HB2 GLU 16 + HD2 LYS 20 OK 98 98 100 100 3.5-3.6 12058=100, 3.0/905=22...(16) HB3 PRO 86 + HD3 LYS 90 OK 58 68 95 91 2.3-4.7 9944/7422=29...(13) HB2 PRO 86 + HD3 LYS 90 OK 33 44 85 88 3.8-6.4 2.3/3810=26...(16) HB2 GLU 16 - HD3 LYS 20 far 15 97 15 - 3.9-5.2 HB2 GLU 16 - HD2 LYS 13 far 0 46 0 - 4.3-7.9 HB2 GLU 16 - HD3 LYS 13 far 0 43 0 - 4.3-7.6 HB3 GLU 88 - HB3 ARG 91 far 0 100 0 - 4.4-4.9 HB2 LEU 64 - HD2 LYS 68 far 0 31 0 - 4.5-7.6 HB2 LEU 64 - HD3 LYS 68 far 0 29 0 - 4.8-7.3 HB2 MET 21 - HD3 LYS 20 far 0 72 0 - 5.3-7.6 HB2 MET 21 - HD3 LYS 90 far 0 59 0 - 5.4-6.2 HB3 GLU 43 - HD2 LYS 47 far 0 95 0 - 5.4-8.0 HB2 GLU 16 - HD3 LYS 12 far 0 69 0 - 5.4-8.7 HB2 MET 21 - HD2 LYS 20 far 0 73 0 - 5.6-7.8 HB3 GLU 48 - HD3 LYS 47 far 0 71 0 - 5.6-8.4 HB2 PRO 86 - HD2 LYS 13 far 0 22 0 - 5.7-8.2 HB3 GLU 43 - HD3 LYS 47 far 0 95 0 - 5.7-7.5 HB2 GLU 16 - HD2 LYS 12 far 0 69 0 - 5.8-8.8 HB3 LEU 38 - HD2 LYS 39 far 0 65 0 - 6.1-8.3 HB3 PRO 86 - HD2 LYS 13 far 0 35 0 - 6.2-9.0 HB3 GLU 35 - HD2 LYS 39 far 0 67 0 - 6.3-8.4 QE MET 21 - HD3 LYS 90 far 0 75 0 - 6.4-7.2 HB3 PRO 86 - HD3 LYS 20 far 0 82 0 - 6.6-9.7 HB3 PRO 86 - HD3 LYS 13 far 0 33 0 - 6.6-9.2 QE MET 21 - HB3 ARG 91 far 0 94 0 - 6.6-7.4 HB2 MET 74 - HD2 LYS 39 far 0 58 0 - 6.7-9.0 HB3 GLU 48 - HD2 LYS 47 far 0 71 0 - 6.7-8.1 HB2 GLU 23 - HD3 LYS 20 far 0 97 0 - 6.8-10.0 HB3 PRO 86 - HD2 LYS 20 far 0 83 0 - 6.8-9.1 HB2 PRO 86 - HG12 ILE 15 far 0 48 0 - 7.0-9.2 HB2 PRO 86 - HD2 LYS 20 far 0 56 0 - 7.1-9.2 HB VAL 83 - HB3 ARG 91 far 0 73 0 - 7.1-7.7 QE MET 21 - HD3 LYS 20 far 0 89 0 - 7.1-9.2 HB3 GLU 43 - HD2 LYS 39 far 0 60 0 - 7.1-9.0 HB2 PRO 86 - HD3 LYS 20 far 0 55 0 - 7.1-9.9 HB2 GLU 16 - HG12 ILE 15 far 0 90 0 - 7.4-8.4 HB2 GLU 16 - HD3 LYS 90 far 0 84 0 - 7.5-9.9 HB3 GLU 88 - HD3 LYS 90 far 0 85 0 - 7.6-8.8 QE MET 21 - HD2 LYS 20 far 0 90 0 - 7.7-9.2 HB VAL 83 - HD3 LYS 90 far 0 56 0 - 8.2-9.8 HB2 MET 74 - HD2 LYS 47 far 0 94 0 - 8.4-12.5 HB3 PRO 86 - HG12 ILE 15 far 0 73 0 - 8.5-10.5 HB2 GLU 23 - HD2 LYS 20 far 0 98 0 - 8.5-9.7 HB3 PRO 86 - HB3 ARG 91 far 0 86 0 - 8.6-9.1 HB2 MET 21 - HB3 ARG 91 far 0 77 0 - 8.6-9.2 HG3 GLU 37 - HD2 LYS 39 far 0 46 0 - 8.7-11.9 HB2 MET 74 - HD3 LYS 47 far 0 94 0 - 8.7-12.0 HB VAL 83 - HG12 ILE 15 far 0 60 0 - 9.6-11.4 HB3 GLU 62 - HD2 LYS 68 far 0 49 0 - 9.7-12.2 HB2 PRO 86 - HB3 ARG 91 far 0 59 0 - 9.7-10.1 HB2 PRO 86 - HD3 LYS 12 far 0 34 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 12146 from cnoeabs.peaks (2.08, 1.68, 29.30 ppm; 3.88 A): 3 out of 51 assignments used, quality = 0.99: HB2 GLU 16 + HD2 LYS 20 OK 98 98 100 100 3.5-3.6 12058=100, 3.0/905=22...(16) HB3 PRO 86 + HD3 LYS 90 OK 58 68 95 91 2.3-4.7 9944/7422=29...(13) HB2 PRO 86 + HD3 LYS 90 OK 33 44 85 88 3.8-6.4 2.3/3810=26...(16) HB2 GLU 16 - HD3 LYS 20 far 15 97 15 - 3.9-5.2 HB2 GLU 16 - HD2 LYS 13 far 0 46 0 - 4.3-7.9 HB2 GLU 16 - HD3 LYS 13 far 0 43 0 - 4.3-7.6 HB3 GLU 88 - HB3 ARG 91 far 0 100 0 - 4.4-4.9 HB2 LEU 64 - HD2 LYS 68 far 0 31 0 - 4.5-7.6 HB2 LEU 64 - HD3 LYS 68 far 0 29 0 - 4.8-7.3 HB2 MET 21 - HD3 LYS 20 far 0 72 0 - 5.3-7.6 HB2 MET 21 - HD3 LYS 90 far 0 59 0 - 5.4-6.2 HB3 GLU 43 - HD2 LYS 47 far 0 95 0 - 5.4-8.0 HB2 GLU 16 - HD3 LYS 12 far 0 69 0 - 5.4-8.7 HB2 MET 21 - HD2 LYS 20 far 0 73 0 - 5.6-7.8 HB3 GLU 48 - HD3 LYS 47 far 0 71 0 - 5.6-8.4 HB2 PRO 86 - HD2 LYS 13 far 0 22 0 - 5.7-8.2 HB3 GLU 43 - HD3 LYS 47 far 0 95 0 - 5.7-7.5 HB2 GLU 16 - HD2 LYS 12 far 0 69 0 - 5.8-8.8 HB3 LEU 38 - HD2 LYS 39 far 0 65 0 - 6.1-8.3 HB3 PRO 86 - HD2 LYS 13 far 0 35 0 - 6.2-9.0 HB3 GLU 35 - HD2 LYS 39 far 0 67 0 - 6.3-8.4 QE MET 21 - HD3 LYS 90 far 0 75 0 - 6.4-7.2 HB3 PRO 86 - HD3 LYS 20 far 0 82 0 - 6.6-9.7 HB3 PRO 86 - HD3 LYS 13 far 0 33 0 - 6.6-9.2 QE MET 21 - HB3 ARG 91 far 0 94 0 - 6.6-7.4 HB2 MET 74 - HD2 LYS 39 far 0 58 0 - 6.7-9.0 HB3 GLU 48 - HD2 LYS 47 far 0 71 0 - 6.7-8.1 HB2 GLU 23 - HD3 LYS 20 far 0 97 0 - 6.8-10.0 HB3 PRO 86 - HD2 LYS 20 far 0 83 0 - 6.8-9.1 HB2 PRO 86 - HG12 ILE 15 far 0 48 0 - 7.0-9.2 HB2 PRO 86 - HD2 LYS 20 far 0 56 0 - 7.1-9.2 HB VAL 83 - HB3 ARG 91 far 0 73 0 - 7.1-7.7 QE MET 21 - HD3 LYS 20 far 0 89 0 - 7.1-9.2 HB3 GLU 43 - HD2 LYS 39 far 0 60 0 - 7.1-9.0 HB2 PRO 86 - HD3 LYS 20 far 0 55 0 - 7.1-9.9 HB2 GLU 16 - HG12 ILE 15 far 0 90 0 - 7.4-8.4 HB2 GLU 16 - HD3 LYS 90 far 0 84 0 - 7.5-9.9 HB3 GLU 88 - HD3 LYS 90 far 0 85 0 - 7.6-8.8 QE MET 21 - HD2 LYS 20 far 0 90 0 - 7.7-9.2 HB VAL 83 - HD3 LYS 90 far 0 56 0 - 8.2-9.8 HB2 MET 74 - HD2 LYS 47 far 0 94 0 - 8.4-12.5 HB3 PRO 86 - HG12 ILE 15 far 0 73 0 - 8.5-10.5 HB2 GLU 23 - HD2 LYS 20 far 0 98 0 - 8.5-9.7 HB3 PRO 86 - HB3 ARG 91 far 0 86 0 - 8.6-9.1 HB2 MET 21 - HB3 ARG 91 far 0 77 0 - 8.6-9.2 HG3 GLU 37 - HD2 LYS 39 far 0 46 0 - 8.7-11.9 HB2 MET 74 - HD3 LYS 47 far 0 94 0 - 8.7-12.0 HB VAL 83 - HG12 ILE 15 far 0 60 0 - 9.6-11.4 HB3 GLU 62 - HD2 LYS 68 far 0 49 0 - 9.7-12.2 HB2 PRO 86 - HB3 ARG 91 far 0 59 0 - 9.7-10.1 HB2 PRO 86 - HD3 LYS 12 far 0 34 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 12153 from cnoeabs.peaks (2.13, 2.90, 41.80 ppm; 5.29 A increased from 4.70 A): 15 out of 42 assignments used, quality = 1.00: HB2 GLU 69 + HE2 LYS 66 OK 58 99 65 89 3.9-6.2 2883/6.1=43...(13) HB3 GLU 16 + HE2 LYS 20 OK 53 60 90 98 2.0-7.3 ~12058=69, ~12146=35...(16) HB3 GLU 16 + HE3 LYS 20 OK 49 59 85 98 2.7-8.2 ~12058=69, ~12146=35...(16) HB2 GLU 69 + HE3 LYS 66 OK 49 100 55 89 3.8-6.7 2883/6.1=43...(13) QE MET 21 + HE3 LYS 94 OK 47 67 75 94 3.6-6.1 995/4.8=55, 12250/3.0=51...(7) HG2 GLU 69 + HE2 LYS 68 OK 42 97 45 97 4.4-7.6 ~12281=80, 10799/3.6=62...(12) HG2 GLU 69 + HE3 LYS 68 OK 41 98 45 93 2.8-7.1 10799/3.6=62...(13) HB3 GLU 69 + HE2 LYS 66 OK 39 99 50 78 4.4-7.0 ~10802=24, ~12288=19...(11) HG2 GLU 69 + HE2 LYS 66 OK 36 99 45 81 3.4-7.0 10797/2.9=29, ~10802=18...(12) HB3 GLU 69 + HE3 LYS 66 OK 35 100 45 77 4.3-7.5 ~10802=24, ~12288=19...(11) QE MET 21 + HE2 LYS 94 OK 33 54 65 94 3.9-6.1 995/4.8=55, 12250/3.0=51...(7) HB2 LEU 64 + HE3 LYS 68 OK 32 91 35 100 4.6-8.1 ~10264=51, ~11010=48...(25) HB2 GLU 69 + HE3 LYS 68 OK 29 98 35 84 4.9-7.6 3.0/12281=50...(9) HB2 LEU 64 + HE2 LYS 68 OK 27 89 30 99 4.5-8.0 ~10264=51, ~11010=48...(23) HG2 GLU 69 + HE3 LYS 66 OK 20 100 25 81 2.9-7.4 10797/2.9=29, ~10802=18...(12) HB3 GLU 95 - HE2 LYS 94 poor 12 60 20 - 5.2-8.9 HB3 GLU 95 - HE3 LYS 94 far 11 74 15 - 3.8-9.1 HB3 GLU 23 - HE3 LYS 20 far 4 79 5 - 5.3-9.4 HB3 GLU 69 - HE3 LYS 68 far 0 98 0 - 5.8-8.4 HB3 PRO 86 - HE2 LYS 20 far 0 76 0 - 5.9-10.1 HB2 GLN 72 - HE3 LYS 68 far 0 68 0 - 6.0-9.5 HB2 GLN 72 - HE2 LYS 68 far 0 66 0 - 6.2-9.9 HB2 GLU 69 - HE2 LYS 68 far 0 97 0 - 6.2-7.9 HB2 PRO 86 - HE2 LYS 20 far 0 93 0 - 6.8-10.6 QE MET 21 - HE2 LYS 20 far 0 66 0 - 6.8-10.1 HB3 GLU 69 - HE2 LYS 68 far 0 97 0 - 6.8-8.9 HB3 GLU 23 - HE2 LYS 20 far 0 81 0 - 7.0-9.1 HB2 LEU 64 - HE3 LYS 66 far 0 94 0 - 7.1-10.7 HB3 PRO 86 - HE3 LYS 20 far 0 75 0 - 7.1-10.7 QE MET 21 - HE3 LYS 20 far 0 65 0 - 7.1-9.9 HB3 GLU 69 - HE2 LYS 39 far 0 60 0 - 7.6-10.3 HB2 PRO 86 - HE3 LYS 20 far 0 91 0 - 7.7-11.2 HB2 GLU 69 - HE2 LYS 39 far 0 60 0 - 8.1-10.7 HB3 GLU 69 - HE3 LYS 39 far 0 75 0 - 8.1-11.0 HB2 GLU 69 - HE3 LYS 39 far 0 75 0 - 8.3-11.3 HG3 GLU 37 - HE3 LYS 39 far 0 63 0 - 8.4-11.0 HB2 LEU 64 - HE2 LYS 66 far 0 93 0 - 8.6-10.6 HG3 GLU 37 - HE2 LYS 39 far 0 49 0 - 8.8-12.6 HB3 GLU 37 - HE3 LYS 39 far 0 75 0 - 9.0-10.6 HB3 GLU 37 - HE2 LYS 39 far 0 59 0 - 9.4-11.7 HB2 GLN 72 - HE2 LYS 66 far 0 70 0 - 10.0-13.0 HG2 GLU 88 - HE3 LYS 94 far 0 94 0 - 10.0-15.3 Violated in 0 structures by 0.00 A. Peak 12155 from cnoeabs.peaks (2.01, 1.49, 24.60 ppm; 4.43 A): 3 out of 25 assignments used, quality = 0.86: HB2 GLU 62 + HG2 LYS 66 OK 66 100 85 78 3.5-5.0 10767/10778=27...(11) HB2 GLU 62 + HG3 LYS 66 OK 46 100 70 67 3.8-5.2 ~12158=19, ~12156=19...(10) QE MET 1 + HG3 LYS 53 OK 21 21 100 98 2.0-3.0 8027/3.0=41, 3.3/8016=36...(16) HB3 GLU 44 - HG2 LYS 47 poor 19 55 35 - 4.5-5.1 HB2 ARG 46 - HG2 LYS 47 far 5 31 15 - 4.3-6.9 HB2 GLU 44 - HG2 LYS 47 far 0 55 0 - 4.9-5.9 QE MET 74 - HG2 LYS 73 far 0 55 0 - 5.1-7.0 HB2 GLU 35 - HG3 LYS 66 far 0 100 0 - 5.3-7.0 HB2 GLU 37 - HG3 LYS 33 far 0 46 0 - 5.3-5.8 HB3 LYS 94 - HG3 LYS 24 far 0 41 0 - 5.4-9.5 HB3 GLU 48 - HG2 LYS 47 far 0 29 0 - 5.7-6.9 HB3 MET 1 - HG3 LYS 53 far 0 37 0 - 6.1-7.1 HB3 GLU 99 - HG3 LYS 53 far 0 26 0 - 6.7-10.7 HB2 GLU 35 - HG2 LYS 66 far 0 100 0 - 7.0-8.7 QE MET 74 - HG2 LYS 47 far 0 55 0 - 7.0-9.0 HB2 GLU 99 - HG3 LYS 53 far 0 22 0 - 7.2-9.6 HB3 MET 1 - HG2 LYS 53 far 0 30 0 - 7.2-8.7 HB3 GLU 99 - HG2 LYS 53 far 0 21 0 - 7.6-11.7 HB3 GLU 17 - HG3 LYS 13 far 0 55 0 - 7.6-8.5 HB2 GLN 50 - HG3 LYS 53 far 0 35 0 - 9.3-10.7 HB2 GLN 50 - HG2 LYS 53 far 0 28 0 - 9.3-10.1 HG12 ILE 93 - HG3 LYS 24 far 0 30 0 - 9.5-11.9 HB2 GLU 35 - HG2 LYS 73 far 0 57 0 - 9.9-11.5 QE MET 74 - HG3 LYS 66 far 0 99 0 - 9.9-11.1 HB2 GLN 50 - HG2 LYS 47 far 0 53 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 12156 from cnoeabs.peaks (2.08, 1.49, 24.60 ppm; 5.34 A increased from 4.50 A): 3 out of 25 assignments used, quality = 0.98: HB3 GLU 35 + HG3 LYS 66 OK 88 100 100 88 4.0-5.5 ~12308=50, 2.9/12160=31...(10) HB3 GLU 62 + HG2 LYS 66 OK 84 99 90 93 5.0-5.8 1.8/12155=48, ~12157=27...(12) QE MET 21 + HG3 LYS 24 OK 24 37 70 90 3.3-5.8 8540/3.7=53...(5) HB2 GLU 23 - HG3 LYS 24 poor 17 43 40 - 4.6-7.7 HB2 GLU 16 - HG3 LYS 13 far 8 54 15 - 5.5-6.9 HG3 GLU 37 - HG3 LYS 33 far 8 52 15 - 4.6-6.7 HB3 GLU 43 - HG2 LYS 47 far 5 51 10 - 5.4-7.3 HB3 GLU 62 - HG3 LYS 66 far 5 99 5 - 5.5-6.3 HB2 MET 21 - HG3 LYS 24 far 1 28 5 - 5.4-8.4 HB3 GLU 35 - HG2 LYS 66 far 0 100 0 - 5.7-7.0 HB3 GLU 48 - HG2 LYS 47 far 0 34 0 - 5.7-6.9 HB2 MET 74 - HG2 LYS 73 far 0 49 0 - 6.3-8.1 HG3 GLU 104 - HG2 LYS 53 far 0 26 0 - 6.6-16.2 HB2 LEU 64 - HG2 LYS 66 far 0 73 0 - 6.7-7.4 HB2 PRO 86 - HG3 LYS 13 far 0 26 0 - 7.0-7.8 HG3 GLU 104 - HG3 LYS 53 far 0 33 0 - 7.7-15.5 HB3 LEU 38 - HG3 LYS 66 far 0 99 0 - 7.7-8.5 HB3 GLU 48 - HG3 LYS 53 far 0 22 0 - 7.9-9.3 HB2 LEU 64 - HG3 LYS 66 far 0 73 0 - 8.1-8.6 HB3 LEU 38 - HG3 LYS 33 far 0 73 0 - 8.2-10.1 HB3 PRO 86 - HG3 LYS 13 far 0 42 0 - 8.3-9.2 HB3 LEU 38 - HG2 LYS 66 far 0 99 0 - 8.5-9.5 HB2 MET 74 - HG2 LYS 47 far 0 49 0 - 8.7-11.5 HB3 LEU 38 - HG2 LYS 73 far 0 55 0 - 8.9-11.8 HB3 GLU 35 - HG2 LYS 73 far 0 57 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 12157 from cnoeabs.peaks (2.01, 1.49, 24.60 ppm; 4.43 A): 3 out of 25 assignments used, quality = 0.86: HB2 GLU 62 + HG2 LYS 66 OK 66 100 85 78 3.5-5.0 10767/10778=27...(11) HB2 GLU 62 + HG3 LYS 66 OK 46 100 70 67 3.8-5.2 ~12158=19, ~12156=19...(10) QE MET 1 + HG3 LYS 53 OK 21 21 100 98 2.0-3.0 8027/3.0=41, 3.3/8016=36...(16) HB3 GLU 44 - HG2 LYS 47 poor 19 55 35 - 4.5-5.1 HB2 ARG 46 - HG2 LYS 47 far 5 31 15 - 4.3-6.9 HB2 GLU 44 - HG2 LYS 47 far 0 55 0 - 4.9-5.9 QE MET 74 - HG2 LYS 73 far 0 55 0 - 5.1-7.0 HB2 GLU 35 - HG3 LYS 66 far 0 100 0 - 5.3-7.0 HB2 GLU 37 - HG3 LYS 33 far 0 46 0 - 5.3-5.8 HB3 LYS 94 - HG3 LYS 24 far 0 41 0 - 5.4-9.5 HB3 GLU 48 - HG2 LYS 47 far 0 29 0 - 5.7-6.9 HB3 MET 1 - HG3 LYS 53 far 0 37 0 - 6.1-7.1 HB3 GLU 99 - HG3 LYS 53 far 0 26 0 - 6.7-10.7 HB2 GLU 35 - HG2 LYS 66 far 0 100 0 - 7.0-8.7 QE MET 74 - HG2 LYS 47 far 0 55 0 - 7.0-9.0 HB2 GLU 99 - HG3 LYS 53 far 0 22 0 - 7.2-9.6 HB3 MET 1 - HG2 LYS 53 far 0 30 0 - 7.2-8.7 HB3 GLU 99 - HG2 LYS 53 far 0 21 0 - 7.6-11.7 HB3 GLU 17 - HG3 LYS 13 far 0 55 0 - 7.6-8.5 HB2 GLN 50 - HG3 LYS 53 far 0 35 0 - 9.3-10.7 HB2 GLN 50 - HG2 LYS 53 far 0 28 0 - 9.3-10.1 HG12 ILE 93 - HG3 LYS 24 far 0 30 0 - 9.5-11.9 HB2 GLU 35 - HG2 LYS 73 far 0 57 0 - 9.9-11.5 QE MET 74 - HG3 LYS 66 far 0 99 0 - 9.9-11.1 HB2 GLN 50 - HG2 LYS 47 far 0 53 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 12158 from cnoeabs.peaks (2.08, 1.49, 24.60 ppm; 5.34 A increased from 4.50 A): 3 out of 25 assignments used, quality = 0.98: HB3 GLU 35 + HG3 LYS 66 OK 88 100 100 88 4.0-5.5 ~12308=50, 2.9/12160=31...(10) HB3 GLU 62 + HG2 LYS 66 OK 84 99 90 93 5.0-5.8 1.8/12155=48, ~12157=27...(12) QE MET 21 + HG3 LYS 24 OK 24 37 70 90 3.3-5.8 8540/3.7=53...(5) HB2 GLU 23 - HG3 LYS 24 poor 17 43 40 - 4.6-7.7 HB2 GLU 16 - HG3 LYS 13 far 8 54 15 - 5.5-6.9 HG3 GLU 37 - HG3 LYS 33 far 8 52 15 - 4.6-6.7 HB3 GLU 43 - HG2 LYS 47 far 5 51 10 - 5.4-7.3 HB3 GLU 62 - HG3 LYS 66 far 5 99 5 - 5.5-6.3 HB2 MET 21 - HG3 LYS 24 far 1 28 5 - 5.4-8.4 HB3 GLU 35 - HG2 LYS 66 far 0 100 0 - 5.7-7.0 HB3 GLU 48 - HG2 LYS 47 far 0 34 0 - 5.7-6.9 HB2 MET 74 - HG2 LYS 73 far 0 49 0 - 6.3-8.1 HG3 GLU 104 - HG2 LYS 53 far 0 26 0 - 6.6-16.2 HB2 LEU 64 - HG2 LYS 66 far 0 73 0 - 6.7-7.4 HB2 PRO 86 - HG3 LYS 13 far 0 26 0 - 7.0-7.8 HG3 GLU 104 - HG3 LYS 53 far 0 33 0 - 7.7-15.5 HB3 LEU 38 - HG3 LYS 66 far 0 99 0 - 7.7-8.5 HB3 GLU 48 - HG3 LYS 53 far 0 22 0 - 7.9-9.3 HB2 LEU 64 - HG3 LYS 66 far 0 73 0 - 8.1-8.6 HB3 LEU 38 - HG3 LYS 33 far 0 73 0 - 8.2-10.1 HB3 PRO 86 - HG3 LYS 13 far 0 42 0 - 8.3-9.2 HB3 LEU 38 - HG2 LYS 66 far 0 99 0 - 8.5-9.5 HB2 MET 74 - HG2 LYS 47 far 0 49 0 - 8.7-11.5 HB3 LEU 38 - HG2 LYS 73 far 0 55 0 - 8.9-11.8 HB3 GLU 35 - HG2 LYS 73 far 0 57 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 12159 from cnoeabs.peaks (2.20, 1.49, 24.60 ppm; 4.49 A): 2 out of 26 assignments used, quality = 0.58: HG2 MET 1 + HG3 LYS 53 OK 38 38 100 99 3.7-4.3 8016=57, 1.8/8019=48...(15) HG3 GLU 35 + HG3 LYS 66 OK 33 100 40 83 3.8-6.4 12308/2.9=67...(8) HB3 GLN 72 - HG2 LYS 73 poor 18 32 65 88 4.1-5.7 4.6/7207=51, ~10845=39...(6) HG2 GLU 35 - HG3 LYS 66 far 5 100 5 - 4.5-7.1 HB2 GLN 72 - HG2 LYS 73 far 3 29 10 - 4.7-6.3 HG2 MET 1 - HG2 LYS 53 far 0 30 0 - 4.8-5.9 HB3 GLU 16 - HG3 LYS 13 far 0 30 0 - 4.8-8.3 HG3 GLU 35 - HG2 LYS 66 far 0 100 0 - 5.2-7.6 HG2 GLU 35 - HG2 LYS 66 far 0 100 0 - 5.8-8.5 HB2 GLU 63 - HG2 LYS 66 far 0 100 0 - 6.4-7.4 HB2 GLU 63 - HG3 LYS 66 far 0 100 0 - 6.5-7.4 HG3 PRO 86 - HG3 LYS 13 far 0 54 0 - 6.7-9.5 HG2 GLU 43 - HG2 LYS 47 far 0 54 0 - 7.0-9.1 HG2 GLU 75 - HG2 LYS 73 far 0 39 0 - 7.5-9.9 HG2 GLU 35 - HG2 LYS 73 far 0 57 0 - 7.5-9.1 HG3 GLU 35 - HG2 LYS 73 far 0 57 0 - 7.6-9.1 HG3 GLU 75 - HG2 LYS 73 far 0 41 0 - 7.7-9.9 HG2 GLU 99 - HG3 LYS 53 far 0 30 0 - 8.0-11.4 HB3 GLN 50 - HG2 LYS 53 far 0 22 0 - 8.7-9.4 HB3 GLU 75 - HG2 LYS 73 far 0 54 0 - 8.8-9.9 HB3 GLN 50 - HG3 LYS 53 far 0 27 0 - 8.8-9.5 HG2 GLU 98 - HG3 LYS 24 far 0 39 0 - 8.9-12.9 HG2 GLU 99 - HG2 LYS 53 far 0 24 0 - 9.1-12.5 HG2 GLU 43 - HG2 LYS 73 far 0 53 0 - 9.1-11.9 HB3 GLN 50 - HG2 LYS 47 far 0 42 0 - 9.8-10.7 HB3 GLU 16 - HG3 LYS 24 far 0 24 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 12160 from cnoeabs.peaks (2.20, 1.49, 24.60 ppm; 4.49 A): 2 out of 26 assignments used, quality = 0.58: HG2 MET 1 + HG3 LYS 53 OK 38 38 100 99 3.7-4.3 8016=57, 1.8/8019=48...(15) HG3 GLU 35 + HG3 LYS 66 OK 33 100 40 83 3.8-6.4 12308/2.9=67...(8) HB3 GLN 72 - HG2 LYS 73 poor 18 32 65 88 4.1-5.7 4.6/7207=51, ~10845=39...(6) HG2 GLU 35 - HG3 LYS 66 far 5 100 5 - 4.5-7.1 HB2 GLN 72 - HG2 LYS 73 far 3 29 10 - 4.7-6.3 HG2 MET 1 - HG2 LYS 53 far 0 30 0 - 4.8-5.9 HB3 GLU 16 - HG3 LYS 13 far 0 30 0 - 4.8-8.3 HG3 GLU 35 - HG2 LYS 66 far 0 100 0 - 5.2-7.6 HG2 GLU 35 - HG2 LYS 66 far 0 100 0 - 5.8-8.5 HB2 GLU 63 - HG2 LYS 66 far 0 100 0 - 6.4-7.4 HB2 GLU 63 - HG3 LYS 66 far 0 100 0 - 6.5-7.4 HG3 PRO 86 - HG3 LYS 13 far 0 54 0 - 6.7-9.5 HG2 GLU 43 - HG2 LYS 47 far 0 54 0 - 7.0-9.1 HG2 GLU 75 - HG2 LYS 73 far 0 39 0 - 7.5-9.9 HG2 GLU 35 - HG2 LYS 73 far 0 57 0 - 7.5-9.1 HG3 GLU 35 - HG2 LYS 73 far 0 57 0 - 7.6-9.1 HG3 GLU 75 - HG2 LYS 73 far 0 41 0 - 7.7-9.9 HG2 GLU 99 - HG3 LYS 53 far 0 30 0 - 8.0-11.4 HB3 GLN 50 - HG2 LYS 53 far 0 22 0 - 8.7-9.4 HB3 GLU 75 - HG2 LYS 73 far 0 54 0 - 8.8-9.9 HB3 GLN 50 - HG3 LYS 53 far 0 27 0 - 8.8-9.5 HG2 GLU 98 - HG3 LYS 24 far 0 39 0 - 8.9-12.9 HG2 GLU 99 - HG2 LYS 53 far 0 24 0 - 9.1-12.5 HG2 GLU 43 - HG2 LYS 73 far 0 53 0 - 9.1-11.9 HB3 GLN 50 - HG2 LYS 47 far 0 42 0 - 9.8-10.7 HB3 GLU 16 - HG3 LYS 24 far 0 24 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 12161 from cnoeabs.peaks (2.20, 1.49, 24.60 ppm; 4.49 A): 2 out of 26 assignments used, quality = 0.58: HG2 MET 1 + HG3 LYS 53 OK 38 38 100 99 3.7-4.3 8016=57, 1.8/8019=48...(15) HG3 GLU 35 + HG3 LYS 66 OK 33 100 40 83 3.8-6.4 12308/2.9=67...(8) HB3 GLN 72 - HG2 LYS 73 poor 18 32 65 88 4.1-5.7 4.6/7207=51, ~10845=39...(6) HG2 GLU 35 - HG3 LYS 66 far 5 100 5 - 4.5-7.1 HB2 GLN 72 - HG2 LYS 73 far 3 29 10 - 4.7-6.3 HG2 MET 1 - HG2 LYS 53 far 0 30 0 - 4.8-5.9 HB3 GLU 16 - HG3 LYS 13 far 0 30 0 - 4.8-8.3 HG3 GLU 35 - HG2 LYS 66 far 0 100 0 - 5.2-7.6 HG2 GLU 35 - HG2 LYS 66 far 0 100 0 - 5.8-8.5 HB2 GLU 63 - HG2 LYS 66 far 0 100 0 - 6.4-7.4 HB2 GLU 63 - HG3 LYS 66 far 0 100 0 - 6.5-7.4 HG3 PRO 86 - HG3 LYS 13 far 0 54 0 - 6.7-9.5 HG2 GLU 43 - HG2 LYS 47 far 0 54 0 - 7.0-9.1 HG2 GLU 75 - HG2 LYS 73 far 0 39 0 - 7.5-9.9 HG2 GLU 35 - HG2 LYS 73 far 0 57 0 - 7.5-9.1 HG3 GLU 35 - HG2 LYS 73 far 0 57 0 - 7.6-9.1 HG3 GLU 75 - HG2 LYS 73 far 0 41 0 - 7.7-9.9 HG2 GLU 99 - HG3 LYS 53 far 0 30 0 - 8.0-11.4 HB3 GLN 50 - HG2 LYS 53 far 0 22 0 - 8.7-9.4 HB3 GLU 75 - HG2 LYS 73 far 0 54 0 - 8.8-9.9 HB3 GLN 50 - HG3 LYS 53 far 0 27 0 - 8.8-9.5 HG2 GLU 98 - HG3 LYS 24 far 0 39 0 - 8.9-12.9 HG2 GLU 99 - HG2 LYS 53 far 0 24 0 - 9.1-12.5 HG2 GLU 43 - HG2 LYS 73 far 0 53 0 - 9.1-11.9 HB3 GLN 50 - HG2 LYS 47 far 0 42 0 - 9.8-10.7 HB3 GLU 16 - HG3 LYS 24 far 0 24 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 12162 from cnoeabs.peaks (2.20, 1.49, 24.60 ppm; 4.49 A): 2 out of 26 assignments used, quality = 0.58: HG2 MET 1 + HG3 LYS 53 OK 38 38 100 99 3.7-4.3 8016=57, 1.8/8019=48...(15) HG3 GLU 35 + HG3 LYS 66 OK 33 100 40 83 3.8-6.4 12308/2.9=67...(8) HB3 GLN 72 - HG2 LYS 73 poor 18 32 65 88 4.1-5.7 4.6/7207=51, ~10845=39...(6) HG2 GLU 35 - HG3 LYS 66 far 5 100 5 - 4.5-7.1 HB2 GLN 72 - HG2 LYS 73 far 3 29 10 - 4.7-6.3 HG2 MET 1 - HG2 LYS 53 far 0 30 0 - 4.8-5.9 HB3 GLU 16 - HG3 LYS 13 far 0 30 0 - 4.8-8.3 HG3 GLU 35 - HG2 LYS 66 far 0 100 0 - 5.2-7.6 HG2 GLU 35 - HG2 LYS 66 far 0 100 0 - 5.8-8.5 HB2 GLU 63 - HG2 LYS 66 far 0 100 0 - 6.4-7.4 HB2 GLU 63 - HG3 LYS 66 far 0 100 0 - 6.5-7.4 HG3 PRO 86 - HG3 LYS 13 far 0 54 0 - 6.7-9.5 HG2 GLU 43 - HG2 LYS 47 far 0 54 0 - 7.0-9.1 HG2 GLU 75 - HG2 LYS 73 far 0 39 0 - 7.5-9.9 HG2 GLU 35 - HG2 LYS 73 far 0 57 0 - 7.5-9.1 HG3 GLU 35 - HG2 LYS 73 far 0 57 0 - 7.6-9.1 HG3 GLU 75 - HG2 LYS 73 far 0 41 0 - 7.7-9.9 HG2 GLU 99 - HG3 LYS 53 far 0 30 0 - 8.0-11.4 HB3 GLN 50 - HG2 LYS 53 far 0 22 0 - 8.7-9.4 HB3 GLU 75 - HG2 LYS 73 far 0 54 0 - 8.8-9.9 HB3 GLN 50 - HG3 LYS 53 far 0 27 0 - 8.8-9.5 HG2 GLU 98 - HG3 LYS 24 far 0 39 0 - 8.9-12.9 HG2 GLU 99 - HG2 LYS 53 far 0 24 0 - 9.1-12.5 HG2 GLU 43 - HG2 LYS 73 far 0 53 0 - 9.1-11.9 HB3 GLN 50 - HG2 LYS 47 far 0 42 0 - 9.8-10.7 HB3 GLU 16 - HG3 LYS 24 far 0 24 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 12163 from cnoeabs.peaks (8.26, 3.81, 60.00 ppm; 4.04 A increased from 3.80 A): 2 out of 4 assignments used, quality = 0.98: H ALA 71 + HA LYS 68 OK 92 99 100 93 3.6-4.0 7157/7142=42...(10) H GLU 23 + HA ARG 19 OK 76 95 85 94 3.8-4.7 6354/786=50, 6363/787=43...(8) H LEU 27 - HA ARG 19 far 0 93 0 - 7.7-8.2 H LYS 94 - HA ARG 19 far 0 100 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 12164 from cnoeabs.peaks (2.42, 1.84, 32.20 ppm; 5.52 A): 5 out of 11 assignments used, quality = 1.00: HG2 GLN 72 + HB2 LYS 68 OK 100 100 100 100 4.8-5.2 ~9563=64, 7174/9557=60...(16) HG3 MET 21 + HB3 LYS 90 OK 86 86 100 100 2.8-3.4 ~3920=72, ~8546=67...(35) HB3 MET 21 + HB3 LYS 90 OK 85 85 100 100 4.2-4.5 ~9948=71, ~3920=55...(32) HG3 MET 21 + HB2 LYS 90 OK 49 49 100 100 4.5-5.1 ~3920=72, ~8546=67...(34) HB3 MET 21 + HB2 LYS 90 OK 46 48 95 100 5.7-5.8 ~9948=71, ~3920=55...(31) HG3 GLU 17 - HB3 LYS 90 far 0 95 0 - 6.0-8.2 HG3 GLU 17 - HB2 LYS 90 far 0 57 0 - 6.2-8.2 HB2 ASP 11 - HB3 LYS 12 far 0 56 0 - 6.4-6.6 HB2 ASP 11 - HB2 LYS 12 far 0 60 0 - 7.2-7.6 HG3 GLU 17 - HB2 LYS 12 far 0 62 0 - 7.7-10.1 HG3 GLU 17 - HB3 LYS 12 far 0 57 0 - 8.5-10.9 Violated in 0 structures by 0.00 A. Peak 12166 from cnoeabs.peaks (2.42, 1.87, 32.20 ppm; 5.90 A): 1 out of 8 assignments used, quality = 0.49: HG3 MET 21 + HB2 LYS 20 OK 49 73 95 71 4.7-6.2 5.1/6324=67, 12044/3.5=9 HB3 MET 21 - HB2 LYS 20 far 4 72 5 - 6.0-7.2 HB2 ASP 11 - HB3 LYS 12 far 0 89 0 - 6.4-6.6 HG2 GLN 72 - HB3 LYS 68 far 0 100 0 - 6.4-6.8 HG3 GLU 17 - HB2 LYS 20 far 0 82 0 - 6.5-8.6 HB2 ASP 11 - HB2 LYS 12 far 0 88 0 - 7.2-7.6 HG3 GLU 17 - HB2 LYS 12 far 0 90 0 - 7.7-10.1 HG3 GLU 17 - HB3 LYS 12 far 0 91 0 - 8.5-10.9 Violated in 3 structures by 0.04 A. Peak 12167 from cnoeabs.peaks (2.54, 1.87, 32.20 ppm; 5.43 A increased from 5.11 A): 2 out of 5 assignments used, quality = 1.00: HG3 GLN 72 + HB3 LYS 68 OK 100 100 100 100 4.8-5.1 9563=87, 12324/3.0=52...(16) HG2 MET 74 + HB3 LYS 39 OK 28 95 30 100 5.5-7.4 ~9602=52, ~12073=50...(15) HB3 ASP 36 - HB3 LYS 39 far 7 66 10 - 5.2-7.4 HB2 ASP 36 - HB3 LYS 39 far 6 64 10 - 5.6-7.4 HB2 ASP 61 - HB3 LYS 68 far 0 75 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 12172 from cnoeabs.peaks (1.34, 0.62, 13.70 ppm; 3.83 A): 2 out of 7 assignments used, quality = 1.00: HG LEU 14 + QD1 ILE 7 OK 99 99 100 100 2.5-3.9 2.1/10272=85, 11079=46...(13) QB ALA 89 + QD1 ILE 7 OK 70 100 90 78 2.6-4.2 9818/10373=30...(8) HG12 ILE 8 - QD1 ILE 7 far 0 89 0 - 4.6-6.4 QB ALA 67 - QD1 ILE 7 far 0 100 0 - 7.6-8.8 HB3 ARG 30 - QD1 ILE 7 far 0 77 0 - 8.2-8.5 QB ALA 25 - QD1 ILE 7 far 0 100 0 - 8.7-10.6 HB2 LYS 82 - QD1 ILE 7 far 0 100 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 12173 from cnoeabs.peaks (2.01, 3.85, 55.10 ppm; 4.59 A): 2 out of 9 assignments used, quality = 0.99: QE MET 74 + HA ALA 71 OK 98 98 100 100 3.1-4.3 3.4/9551=59...(20) HG12 ILE 93 + HA ALA 22 OK 30 32 95 98 4.2-4.9 ~10327=61, ~11004=41...(12) HB2 ARG 46 - HA ALA 71 far 0 64 0 - 6.2-9.2 HB3 LYS 94 - HA ALA 22 far 0 42 0 - 6.5-7.5 QE MET 74 - HA ALA 67 far 0 74 0 - 6.6-7.8 HB2 GLU 35 - HA ALA 67 far 0 76 0 - 7.8-8.6 HB2 GLU 37 - HA ALA 67 far 0 47 0 - 8.7-9.7 HB2 GLU 62 - HA ALA 67 far 0 75 0 - 8.8-9.3 HB3 GLU 17 - HA ALA 22 far 0 45 0 - 10.0-10.7 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 3.6-4.4 12298=99, 7175/7170=92...(12) HG2 MET 74 + QB ALA 71 OK 63 98 65 100 5.0-5.8 9613/2.1=78...(15) 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 12 assignments used, quality = 0.99: QD1 ILE 76 + QB ALA 71 OK 98 100 100 98 2.9-3.6 3.2/10834=45, 3454=32...(19) QD2 LEU 42 + QB ALA 71 OK 67 69 100 96 2.1-2.7 2.1/12014=69...(14) QG1 VAL 54 - QB ALA 71 far 0 59 0 - 4.5-5.0 QD1 LEU 70 - QB ALA 71 far 0 96 0 - 4.6-5.1 QD1 LEU 6 - QB ALA 71 far 0 77 0 - 4.8-5.1 QD2 LEU 38 - QB ALA 71 far 0 89 0 - 5.2-5.6 QD2 LEU 70 - QB ALA 71 far 0 100 0 - 5.5-5.7 QG2 ILE 52 - QB ALA 71 far 0 89 0 - 6.2-7.1 QG2 VAL 32 - QB ALA 71 far 0 75 0 - 7.0-7.3 QD2 LEU 57 - QB ALA 71 far 0 100 0 - 7.7-8.0 QG2 ILE 8 - QB ALA 71 far 0 97 0 - 8.8-9.1 QD1 LEU 57 - QB ALA 71 far 0 82 0 - 8.9-9.9 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 2 assignments used, quality = 1.00: HE22 GLN 72 + HB2 GLN 72 OK 100 100 100 100 2.7-4.5 4.4=100 HE ARG 46 - HB2 GLN 72 far 0 80 0 - 9.6-13.2 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 2 assignments used, quality = 0.99: HE22 GLN 72 + HB3 GLN 72 OK 99 99 100 100 2.0-3.9 4.4=100 HE ARG 46 - HB3 GLN 72 far 0 79 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 12181 from cnoeabs.peaks (2.16, 1.49, 25.00 ppm; 4.91 A): 6 out of 25 assignments used, quality = 0.98: HG2 GLU 44 + HG2 LYS 47 OK 58 84 70 99 4.2-5.8 4.0/12088=67...(9) HB3 GLU 69 + HG2 LYS 73 OK 55 69 100 79 3.4-4.9 4.6/10819=49, 10461=20...(8) HB2 GLN 72 + HG2 LYS 73 OK 54 100 55 98 4.7-6.3 7198/7207=76...(6) HB3 GLU 23 + HG3 LYS 24 OK 43 85 70 73 3.6-6.8 1034/6386=60...(4) HG2 MET 1 + HG3 LYS 53 OK 40 41 100 98 3.7-4.3 1.8/8019=55, ~8027=38...(15) HB2 GLU 69 + HG2 LYS 73 OK 35 69 65 78 4.9-6.0 4.6/10819=49...(8) HB3 GLU 16 - HG3 LYS 13 far 10 99 10 - 4.8-8.3 HG2 MET 1 - HG2 LYS 53 poor 8 33 25 - 4.8-5.9 HB3 GLU 37 - HG3 LYS 33 far 0 52 0 - 5.7-6.2 HG2 GLU 69 - HG2 LYS 73 far 0 69 0 - 6.1-7.6 HG3 PRO 86 - HG3 LYS 13 far 0 65 0 - 6.7-9.5 HG2 GLU 43 - HG2 LYS 47 far 0 81 0 - 7.0-9.1 HG2 GLU 75 - HG2 LYS 73 far 0 98 0 - 7.5-9.9 HG2 GLU 35 - HG2 LYS 73 far 0 65 0 - 7.5-9.1 HG3 GLU 35 - HG2 LYS 73 far 0 65 0 - 7.6-9.1 HG3 GLU 75 - HG2 LYS 73 far 0 97 0 - 7.7-9.9 HG2 GLU 104 - HG2 LYS 53 far 0 61 0 - 8.2-17.4 HB3 GLN 50 - HG2 LYS 53 far 0 60 0 - 8.7-9.4 HB3 GLU 75 - HG2 LYS 73 far 0 79 0 - 8.8-9.9 HB3 GLN 50 - HG3 LYS 53 far 0 72 0 - 8.8-9.5 HG2 GLU 104 - HG3 LYS 53 far 0 73 0 - 9.1-16.8 HG2 GLU 43 - HG2 LYS 73 far 0 80 0 - 9.1-11.9 HB2 GLU 75 - HG2 LYS 73 far 0 85 0 - 9.7-10.3 HB3 GLN 50 - HG2 LYS 47 far 0 97 0 - 9.8-10.7 HB3 GLU 16 - HG3 LYS 24 far 0 86 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 12182 from cnoeabs.peaks (2.23, 1.49, 25.00 ppm; 4.80 A): 2 out of 11 assignments used, quality = 0.82: HB3 GLN 72 + HG2 LYS 73 OK 64 100 65 98 4.1-5.7 7199/7207=72...(6) HG2 MET 1 + HG3 LYS 53 OK 50 50 100 99 3.7-4.3 1.8/8019=54, 8016=43...(15) HG2 GLU 37 - HG3 LYS 33 poor 19 64 30 - 4.4-6.5 HG2 MET 1 - HG2 LYS 53 far 4 41 10 - 4.8-5.9 HG2 GLU 17 - HG3 LYS 13 far 0 95 0 - 6.2-8.8 HG3 PRO 86 - HG3 LYS 13 far 0 65 0 - 6.7-9.5 HG2 GLU 35 - HG2 LYS 73 far 0 69 0 - 7.5-9.1 HG3 GLU 35 - HG2 LYS 73 far 0 69 0 - 7.6-9.1 HG2 GLU 99 - HG3 LYS 53 far 0 76 0 - 8.0-11.4 HG2 GLU 98 - HG3 LYS 24 far 0 80 0 - 8.9-12.9 HG2 GLU 99 - HG2 LYS 53 far 0 63 0 - 9.1-12.5 Violated in 0 structures by 0.00 A. Peak 12183 from cnoeabs.peaks (2.16, 1.60, 25.00 ppm; 5.99 A increased from 5.64 A): 4 out of 20 assignments used, quality = 1.00: HB2 GLN 72 + HG3 LYS 73 OK 100 100 100 100 3.7-5.8 10845=97, 7198/7208=97...(14) HB3 GLU 23 + HG2 LYS 24 OK 76 92 95 88 3.7-6.5 1034/6385=81...(4) HB3 GLU 69 + HG3 LYS 73 OK 39 69 100 57 4.1-6.0 10461/1.8=21...(7) HG2 GLU 44 + HG3 LYS 47 OK 26 59 45 99 4.3-7.1 ~10186=79, 4.0/12089=75...(7) HB2 GLU 69 - HG3 LYS 73 poor 18 69 45 59 5.6-7.0 3.0/9581=21, ~10461=18...(5) HG2 GLU 75 - HG3 LYS 73 far 10 98 10 - 6.1-8.5 HG3 GLU 75 - HG3 LYS 73 far 5 97 5 - 6.2-8.8 HG2 GLU 69 - HG3 LYS 73 far 0 69 0 - 6.5-8.7 HG3 PRO 86 - HG3 LYS 90 far 0 37 0 - 6.8-7.6 HB3 GLU 16 - HG3 LYS 12 far 0 99 0 - 6.9-8.6 HB3 GLU 75 - HG3 LYS 73 far 0 79 0 - 7.1-9.2 HG2 GLU 43 - HG3 LYS 47 far 0 56 0 - 7.2-8.6 HB3 GLU 16 - HG3 LYS 90 far 0 65 0 - 8.1-9.1 HG2 GLU 43 - HG3 LYS 73 far 0 80 0 - 8.3-13.0 HB2 GLU 75 - HG3 LYS 73 far 0 85 0 - 8.3-9.4 HG2 GLU 35 - HG3 LYS 73 far 0 65 0 - 8.5-10.8 HG3 GLU 35 - HG3 LYS 73 far 0 65 0 - 8.5-10.8 HG2 GLU 88 - HG3 LYS 90 far 0 56 0 - 8.9-10.6 HB3 GLU 23 - HG3 LYS 90 far 0 64 0 - 9.4-10.0 HB3 GLN 50 - HG3 LYS 47 far 0 72 0 - 9.7-10.7 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 = 0.96: HG2 MET 74 + HB3 LYS 73 OK 82 100 85 97 4.0-5.4 7228/4.6=63, 9612/3.0=49...(12) HG2 MET 74 + HB2 LYS 73 OK 78 100 80 97 3.0-5.6 7228/4.6=63, 9612/3.0=49...(11) HG3 GLU 23 - HB3 LYS 20 far 0 31 0 - 6.2-7.6 HG3 GLU 23 - HB2 LYS 24 far 0 45 0 - 6.3-7.0 HG3 GLN 72 - HB2 LYS 73 far 0 99 0 - 6.6-7.4 HG3 GLU 23 - HB3 LYS 24 far 0 45 0 - 7.0-8.1 HG3 GLN 72 - HB3 LYS 73 far 0 99 0 - 8.0-8.4 Violated in 1 structures by 0.00 A. Peak 12186 from cnoeabs.peaks (2.62, 1.96, 32.30 ppm; 6.14 A increased from 5.46 A): 2 out of 2 assignments used, quality = 1.00: HG3 MET 74 + HB2 LYS 73 OK 99 100 100 100 3.7-6.4 7229/4.6=84, ~9612=60...(9) HG3 MET 74 + HB3 LYS 73 OK 99 100 100 100 4.1-6.1 7229/4.6=84, ~9612=60...(10) 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 = 0.96: HG2 MET 74 + HB3 LYS 73 OK 82 100 85 97 4.0-5.4 7228/4.6=63, 9612/3.0=49...(12) HG2 MET 74 + HB2 LYS 73 OK 78 100 80 97 3.0-5.6 7228/4.6=63, 9612/3.0=49...(11) HG3 GLU 23 - HB3 LYS 20 far 0 31 0 - 6.2-7.6 HG3 GLU 23 - HB2 LYS 24 far 0 45 0 - 6.3-7.0 HG3 GLN 72 - HB2 LYS 73 far 0 99 0 - 6.6-7.4 HG3 GLU 23 - HB3 LYS 24 far 0 45 0 - 7.0-8.1 HG3 GLN 72 - HB3 LYS 73 far 0 99 0 - 8.0-8.4 Violated in 1 structures by 0.00 A. Peak 12188 from cnoeabs.peaks (2.62, 1.96, 32.30 ppm; 6.14 A increased from 5.46 A): 2 out of 2 assignments used, quality = 1.00: HG3 MET 74 + HB2 LYS 73 OK 99 100 100 100 3.7-6.4 7229/4.6=84, ~9612=60...(9) HG3 MET 74 + HB3 LYS 73 OK 99 100 100 100 4.1-6.1 7229/4.6=84, ~9612=60...(10) 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 = 0.84: HG2 LYS 39 + QE MET 74 OK 79 79 100 100 1.9-2.3 1.8/9602=85, 12072=50...(19) QB ALA 71 + QE MET 74 OK 22 53 45 91 4.0-5.0 2.1/12173=46, ~9551=29...(11) HB2 LEU 70 - QE MET 74 far 10 98 10 - 4.3-5.2 HG3 LYS 40 - QE MET 74 far 0 95 0 - 6.5-7.5 QB ALA 67 - QE MET 74 far 0 65 0 - 6.9-7.9 HG3 LYS 68 - QE MET 74 far 0 85 0 - 9.3-10.7 HB3 ARG 30 - QE MET 74 far 0 98 0 - 9.9-10.3 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 3 assignments used, quality = 0.98: HD2 ARG 79 + HA VAL 78 OK 89 100 90 98 3.1-6.7 12197=75, 5.8/7284=74...(6) HD3 ARG 79 + HA VAL 78 OK 83 100 85 98 4.6-6.8 5.8/7284=74...(6) HB2 PHE 96 - HA VAL 78 far 0 80 0 - 9.4-10.7 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 3 assignments used, quality = 0.98: HD2 ARG 79 + HA VAL 78 OK 89 100 90 98 3.1-6.7 12197=75, 5.8/7284=74...(6) HD3 ARG 79 + HA VAL 78 OK 83 100 85 98 4.6-6.8 5.8/7284=74...(6) HB2 PHE 96 - HA VAL 78 far 0 80 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 12196 from cnoeabs.peaks (5.19, 3.07, 43.10 ppm; 5.26 A increased from 4.95 A): 2 out of 4 assignments used, quality = 0.88: HA VAL 78 + HD2 ARG 79 OK 84 100 90 93 3.1-6.7 7284/3541=63...(6) HA VAL 78 + HD3 ARG 79 OK 28 100 30 92 4.6-6.8 7284/5.8=58, 9690/3.8=40...(6) HA VAL 54 - HD2 ARG 79 far 4 75 5 - 4.7-9.8 HA VAL 54 - HD3 ARG 79 far 4 75 5 - 5.0-9.7 Violated in 0 structures by 0.00 A. Peak 12197 from cnoeabs.peaks (5.19, 3.07, 43.10 ppm; 5.26 A increased from 4.95 A): 2 out of 4 assignments used, quality = 0.88: HA VAL 78 + HD2 ARG 79 OK 84 100 90 93 3.1-6.7 7284/3541=63...(6) HA VAL 78 + HD3 ARG 79 OK 28 100 30 92 4.6-6.8 7284/5.8=58, 9690/3.8=40...(6) HA VAL 54 - HD2 ARG 79 far 4 75 5 - 4.7-9.8 HA VAL 54 - HD3 ARG 79 far 4 75 5 - 5.0-9.7 Violated in 0 structures by 0.00 A. Peak 12198 from cnoeabs.peaks (4.67, 1.53, 26.80 ppm; 4.31 A): 0 out of 6 assignments used, quality = 0.00: HA LEU 55 - HG3 ARG 79 far 5 99 5 - 2.0-5.9 HA LEU 55 - HG2 ARG 79 far 5 100 5 - 3.3-5.7 HA LEU 55 - HG LEU 6 far 0 91 0 - 6.8-7.1 HA LEU 27 - HG LEU 2 far 0 82 0 - 9.0-9.9 HA LEU 27 - HG3 ARG 30 far 0 57 0 - 9.1-11.1 HA LYS 82 - HG3 ARG 79 far 0 73 0 - 9.6-11.6 Violated in 19 structures by 0.35 A. Peak 12199 from cnoeabs.peaks (4.67, 1.53, 26.80 ppm; 4.31 A): 0 out of 6 assignments used, quality = 0.00: HA LEU 55 - HG3 ARG 79 far 5 99 5 - 2.0-5.9 HA LEU 55 - HG2 ARG 79 far 5 100 5 - 3.3-5.7 HA LEU 55 - HG LEU 6 far 0 91 0 - 6.8-7.1 HA LEU 27 - HG LEU 2 far 0 82 0 - 9.0-9.9 HA LEU 27 - HG3 ARG 30 far 0 57 0 - 9.1-11.1 HA LYS 82 - HG3 ARG 79 far 0 73 0 - 9.6-11.6 Violated in 19 structures by 0.35 A. Peak 12200 from cnoeabs.peaks (1.94, 0.71, 13.70 ppm; 3.61 A): 1 out of 12 assignments used, quality = 0.99: HB VAL 32 + QD1 ILE 8 OK 99 100 100 99 2.4-3.2 12204/2.1=62...(13) HB2 GLU 37 - QD1 ILE 8 far 0 63 0 - 5.5-6.0 HB VAL 32 - QD1 ILE 56 far 0 98 0 - 6.3-6.7 HB3 MET 74 - QD1 ILE 56 far 0 85 0 - 6.7-7.4 HB2 LYS 33 - QD1 ILE 8 far 0 88 0 - 7.1-7.6 HB3 LYS 33 - QD1 ILE 8 far 0 85 0 - 7.1-7.6 HB2 LYS 73 - QD1 ILE 56 far 0 91 0 - 8.1-9.3 HB2 GLU 37 - QD1 ILE 56 far 0 59 0 - 8.3-8.7 HB2 ARG 46 - QD1 ILE 56 far 0 65 0 - 8.3-11.0 HB3 ARG 46 - QD1 ILE 56 far 0 89 0 - 9.5-10.8 HB3 LYS 73 - QD1 ILE 56 far 0 92 0 - 9.6-10.3 HB3 LEU 14 - QD1 ILE 8 far 0 61 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 12201 from cnoeabs.peaks (1.46, 0.71, 13.70 ppm; 3.79 A): 2 out of 27 assignments used, quality = 0.96: HG LEU 38 + QD1 ILE 8 OK 94 100 100 94 2.8-3.3 3.0/8857=42, 2.1/324=33...(11) HG LEU 38 + QD1 ILE 56 OK 39 98 100 39 3.1-3.7 ~10674=23, 2.1/326=9...(5) HB2 LEU 38 - QD1 ILE 8 far 10 100 10 - 3.3-4.8 HB2 LEU 38 - QD1 ILE 56 far 0 97 0 - 4.8-5.5 HB3 LEU 64 - QD1 ILE 8 far 0 77 0 - 5.8-6.4 HG LEU 64 - QD1 ILE 56 far 0 88 0 - 6.3-6.8 HG12 ILE 7 - QD1 ILE 8 far 0 65 0 - 6.3-6.7 HG3 LYS 66 - QD1 ILE 8 far 0 71 0 - 6.6-7.1 HG2 LYS 66 - QD1 ILE 8 far 0 75 0 - 6.9-7.5 HB3 LEU 64 - QD1 ILE 56 far 0 73 0 - 6.9-7.3 HG LEU 64 - QD1 ILE 8 far 0 92 0 - 7.0-7.6 HG3 LYS 39 - QD1 ILE 56 far 0 89 0 - 7.2-9.2 HG13 ILE 76 - QD1 ILE 56 far 0 82 0 - 7.4-7.9 HD2 LYS 82 - QD1 ILE 8 far 0 100 0 - 8.1-9.1 HG2 LYS 73 - QD1 ILE 56 far 0 69 0 - 8.2-8.8 HG2 LYS 66 - QD1 ILE 56 far 0 71 0 - 8.2-8.7 HG3 LYS 66 - QD1 ILE 56 far 0 67 0 - 8.5-8.9 HG LEU 29 - QD1 ILE 8 far 0 85 0 - 8.5-9.1 HG3 LYS 39 - QD1 ILE 8 far 0 93 0 - 8.6-10.3 HG12 ILE 7 - QD1 ILE 56 far 0 61 0 - 8.8-9.0 HG LEU 29 - QD1 ILE 56 far 0 81 0 - 9.1-9.8 HG2 LYS 53 - QD1 ILE 56 far 0 98 0 - 9.2-10.1 HD2 LYS 40 - QD1 ILE 8 far 0 100 0 - 9.4-11.4 HG13 ILE 52 - QD1 ILE 56 far 0 98 0 - 9.4-10.4 HD3 LYS 40 - QD1 ILE 8 far 0 100 0 - 9.5-11.3 HD2 LYS 82 - QD1 ILE 56 far 0 98 0 - 9.6-10.7 HG3 LYS 53 - QD1 ILE 56 far 0 97 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 12202 from cnoeabs.peaks (2.07, 0.71, 13.70 ppm; 5.07 A): 1 out of 8 assignments used, quality = 1.00: HB3 LEU 38 + QD1 ILE 8 OK 100 100 100 100 3.2-4.6 8857=100, 3.0/8855=64...(12) HB3 LEU 38 - QD1 ILE 56 poor 15 98 25 60 4.9-5.7 ~10674=32, 3.0/12201=26...(5) HB3 GLU 35 - QD1 ILE 8 far 0 99 0 - 5.7-6.6 HG3 GLU 37 - QD1 ILE 8 far 0 59 0 - 7.1-7.9 HB3 GLU 62 - QD1 ILE 8 far 0 94 0 - 7.7-8.8 HB2 MET 74 - QD1 ILE 56 far 0 97 0 - 7.8-8.7 HB3 GLU 35 - QD1 ILE 56 far 0 96 0 - 8.1-8.9 HB3 GLU 43 - QD1 ILE 56 far 0 97 0 - 9.8-10.6 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 1.9-3.7 12204/1.8=80...(13) HB2 GLU 37 - HG13 ILE 8 far 0 63 0 - 5.7-8.3 HB3 LYS 33 - HG13 ILE 8 far 0 85 0 - 6.7-9.5 HB2 LYS 33 - HG13 ILE 8 far 0 88 0 - 6.8-9.7 HB3 LEU 14 - HG13 ILE 8 far 0 61 0 - 10.0-11.0 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 2.0-3.0 12200/2.1=74...(13) HB2 GLU 37 - HG12 ILE 8 far 0 63 0 - 6.6-7.5 HB3 LYS 33 - HG12 ILE 8 far 0 85 0 - 7.9-8.9 HB2 LYS 33 - HG12 ILE 8 far 0 88 0 - 8.0-9.1 HB3 LEU 14 - HG12 ILE 8 far 0 61 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 12205 from cnoeabs.peaks (1.94, 0.79, 17.50 ppm; 3.93 A increased from 3.31 A): 2 out of 23 assignments used, quality = 1.00: HB VAL 32 + QG2 ILE 8 OK 99 100 100 100 2.7-4.0 12200/3.0=65...(12) HB3 ARG 19 + QG2 ILE 15 OK 71 71 100 99 3.6-4.2 8516=63, 1.8/8514=50...(13) QE MET 1 - QG2 ILE 52 far 0 40 0 - 5.2-5.7 HB3 LYS 33 - QG2 ILE 8 far 0 84 0 - 5.2-6.0 HB3 LYS 47 - QG2 ILE 52 far 0 65 0 - 5.3-6.1 HB2 ARG 46 - QG2 ILE 52 far 0 43 0 - 5.3-6.0 HB3 LEU 14 - QG2 ILE 15 far 0 39 0 - 5.5-5.7 HB3 ARG 46 - QG2 ILE 52 far 0 62 0 - 5.6-6.3 HB2 GLU 37 - QG2 ILE 8 far 0 62 0 - 5.6-6.7 HB2 LYS 33 - QG2 ILE 8 far 0 87 0 - 5.7-6.5 HB2 LYS 47 - QG2 ILE 52 far 0 52 0 - 6.3-7.4 HB3 LYS 20 - QG2 ILE 15 far 0 74 0 - 7.2-8.8 HB3 MET 74 - QG2 ILE 52 far 0 59 0 - 7.2-8.7 HB2 GLU 17 - QG2 ILE 15 far 0 75 0 - 7.2-7.5 HB2 LYS 13 - QG2 ILE 15 far 0 58 0 - 7.3-7.6 HB VAL 32 - QG2 ILE 15 far 0 75 0 - 7.3-7.9 HB3 LYS 13 - QG2 ILE 15 far 0 56 0 - 7.6-7.9 HB3 LEU 14 - QG2 ILE 8 far 0 60 0 - 7.7-8.2 HB3 LYS 33 - QG2 ILE 15 far 0 57 0 - 7.9-8.6 HB2 MET 1 - QG2 ILE 52 far 0 73 0 - 8.6-9.0 HB2 LYS 33 - QG2 ILE 15 far 0 60 0 - 8.6-9.2 HB2 GLU 43 - QG2 ILE 52 far 0 43 0 - 9.1-9.5 HB2 GLU 37 - QG2 ILE 15 far 0 40 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 12206 from cnoeabs.peaks (1.53, 0.98, 22.10 ppm; 3.99 A increased from 3.76 A): 1 out of 10 assignments used, quality = 1.00: HG12 ILE 56 + QG2 THR 80 OK 100 100 100 100 3.6-3.9 2.1/10682=77...(23) HG3 ARG 79 - QG2 THR 80 far 0 100 0 - 5.0-6.8 HG2 ARG 79 - QG2 THR 80 far 0 100 0 - 6.1-7.5 HG LEU 57 - QG2 THR 80 far 0 78 0 - 7.0-7.5 HG2 LYS 66 - QG2 THR 80 far 0 59 0 - 7.1-7.7 HD3 LYS 82 - QG2 THR 80 far 0 65 0 - 7.4-8.7 HG LEU 6 - QG2 THR 80 far 0 100 0 - 7.7-8.3 HG3 LYS 66 - QG2 THR 80 far 0 63 0 - 7.9-8.3 HG2 LYS 73 - QG2 THR 80 far 0 61 0 - 9.0-10.1 HB ILE 7 - QG2 THR 80 far 0 99 0 - 9.0-9.3 Violated in 0 structures by 0.00 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 3.4-4.0 12132=100, 11122/7316=95...(7) 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 2.2-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 12214 from cnoeabs.peaks (3.08, 0.43, 25.90 ppm; 6.50 A increased from 6.32 A): 3 out of 4 assignments used, quality = 0.68: HD3 ARG 79 + HG2 ARG 81 OK 33 100 65 52 6.0-9.9 3.8/9694=20...(6) HD2 ARG 79 + HG2 ARG 81 OK 32 100 60 53 5.4-9.9 3.8/9694=20...(6) HB2 TRP 92 + HG2 ARG 81 OK 30 87 35 99 4.5-7.7 1.8/12215=86...(10) HB2 PHE 96 - HG2 ARG 81 far 0 89 0 - 8.5-10.0 Violated in 0 structures by 0.00 A. Peak 12215 from cnoeabs.peaks (3.19, 0.43, 25.90 ppm; 6.41 A): 1 out of 1 assignment used, quality = 0.97: HB3 TRP 92 + HG2 ARG 81 OK 97 100 100 97 4.0-6.4 ~12216=49, 9358/9747=39...(11) Violated in 3 structures by 0.00 A. Peak 12216 from cnoeabs.peaks (3.10, 0.74, 25.90 ppm; 6.50 A): 2 out of 4 assignments used, quality = 0.98: HB2 TRP 92 + HG3 ARG 81 OK 97 100 100 97 5.5-6.5 ~12215=71, 5.3/10001=60...(8) HD3 ARG 79 + HG3 ARG 81 OK 23 82 45 62 6.0-11.0 ~12214=23, 12214/1.8=22...(6) HD2 ARG 79 - HG3 ARG 81 poor 15 79 30 62 6.0-10.9 ~12214=25, 12214/1.8=21...(6) HB2 PHE 96 - HG3 ARG 81 far 0 100 0 - 7.3-10.6 Violated in 0 structures by 0.00 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 3.8-4.5 3.1/10252=100...(13) HB VAL 83 - HB2 LYS 82 far 0 100 0 - 7.6-7.8 HB3 GLU 88 - HB2 LYS 82 far 0 71 0 - 8.7-9.3 HG2 GLU 88 - HB2 LYS 82 far 0 75 0 - 8.8-11.2 HB3 GLU 62 - HB2 LYS 82 far 0 89 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 12221 from cnoeabs.peaks (1.52, 2.19, 27.30 ppm; 5.73 A increased from 5.09 A): 1 out of 4 assignments used, quality = 1.00: HB2 LEU 14 + HG3 PRO 86 OK 100 100 100 100 4.6-5.7 12011=86, 3.0/9890=79...(29) HG3 LYS 13 - HG3 PRO 86 far 0 87 0 - 6.7-9.5 HG2 LYS 73 - HB3 GLU 75 far 0 71 0 - 8.8-9.9 HB2 ARG 91 - HG3 PRO 86 far 0 68 0 - 9.0-11.1 Violated in 2 structures by 0.00 A. Peak 12222 from cnoeabs.peaks (4.80, 1.81, 30.10 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: HA VAL 83 + HB2 GLU 88 OK 100 100 100 100 3.7-4.1 12223/1.8=80...(18) HA TRP 92 - HB2 GLU 88 far 0 93 0 - 7.2-7.8 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 3.7-4.3 12222/1.8=77...(23) HA TRP 92 - HB3 GLU 88 far 0 93 0 - 6.2-6.7 Violated in 0 structures by 0.00 A. Peak 12224 from cnoeabs.peaks (6.87, 1.81, 30.10 ppm; 5.70 A): 1 out of 1 assignment used, quality = 1.00: HD1 TRP 92 + HB2 GLU 88 OK 100 100 100 100 3.0-3.8 9796/9813=95...(15) 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 2.4-3.1 12224/1.8=93, ~9974=83...(17) 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 1 assignment used, quality = 1.00: HE1 TRP 92 + HB2 GLU 88 OK 100 100 100 100 3.6-4.4 9974=99, 9998/9813=91...(13) 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 2.2-3.0 9974/1.8=100...(14) Violated in 0 structures by 0.00 A. Peak 12228 from cnoeabs.peaks (1.48, 3.90, 55.60 ppm; 5.42 A): 1 out of 4 assignments used, quality = 0.85: HG LEU 57 + HA ALA 89 OK 85 85 100 100 3.0-3.6 2.1/10698=98...(10) HB2 ARG 91 - HA ALA 89 far 0 99 0 - 6.6-7.1 HG3 ARG 91 - HA ALA 89 far 0 87 0 - 6.7-8.0 HG2 LYS 20 - HA ALA 89 far 0 93 0 - 9.8-13.6 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 = 0.96: HB3 SER 59 + HB2 SER 9 OK 96 100 100 96 3.9-5.8 9405/3.0=83, ~9404=49...(5) HA GLU 16 - HB2 SER 9 far 0 100 0 - 8.7-10.0 Violated in 1 structures by 0.00 A. Peak 12232 from cnoeabs.peaks (2.43, 1.74, 29.40 ppm; 5.86 A increased from 5.21 A): 2 out of 3 assignments used, quality = 0.99: HG3 GLU 17 + HD2 LYS 90 OK 95 100 95 100 4.6-6.3 9045/3.0=89, ~10433=79...(43) HG3 MET 21 + HD2 LYS 90 OK 76 77 100 100 5.2-6.0 ~12042=73, ~8557=69...(18) HB3 MET 21 - HD2 LYS 90 far 0 75 0 - 6.7-7.2 Violated in 0 structures by 0.00 A. Peak 12233 from cnoeabs.peaks (2.24, 1.70, 29.40 ppm; 5.70 A): 4 out of 11 assignments used, quality = 1.00: HG2 GLU 17 + HD3 LYS 90 OK 99 99 100 100 2.2-5.3 748/10433=96...(39) HG2 GLU 95 + HB3 ARG 91 OK 30 55 65 83 5.1-7.1 ~10040=60, ~4018=17...(7) HG2 GLU 17 + HD2 LYS 20 OK 23 63 90 41 3.6-7.2 6257/661=15, 10436=11...(5) HB2 GLU 95 + HB3 ARG 91 OK 21 47 55 83 5.2-7.6 ~10040=49, ~4018=14...(10) HG2 GLU 17 - HD3 LYS 20 poor 12 56 85 26 3.7-7.6 10436/1.8=11, 3.9/2877=8...(4) HG2 GLU 23 - HD3 LYS 20 far 4 37 10 - 4.7-8.2 HG2 GLU 23 - HD2 LYS 20 far 0 42 0 - 6.3-7.4 HG2 GLU 17 - HG12 ILE 15 far 0 99 0 - 7.5-10.7 HG2 GLU 17 - HD3 LYS 12 far 0 75 0 - 8.7-12.9 HG2 GLU 17 - HD2 LYS 12 far 0 75 0 - 9.1-12.3 HG2 GLU 17 - HB3 ARG 91 far 0 82 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 12234 from cnoeabs.peaks (2.42, 1.71, 29.40 ppm; 4.72 A): 1 out of 14 assignments used, quality = 0.86: HG3 GLU 17 + HD3 LYS 90 OK 86 91 95 100 3.0-6.7 3.0/10433=74...(42) HG3 GLU 17 - HD2 LYS 90 poor 12 62 20 - 4.6-6.3 HG3 MET 21 - HD3 LYS 90 far 0 74 0 - 5.1-6.0 HG3 MET 21 - HD2 LYS 90 far 0 48 0 - 5.2-6.0 HB2 ASP 11 - HG12 ILE 15 far 0 85 0 - 5.7-7.4 HB2 ASP 11 - HD3 LYS 12 far 0 67 0 - 6.0-9.1 HB2 ASP 11 - HD2 LYS 12 far 0 67 0 - 6.0-9.6 HB3 MET 21 - HD3 LYS 90 far 0 73 0 - 6.7-7.1 HB3 MET 21 - HD2 LYS 90 far 0 47 0 - 6.7-7.2 HB3 MET 21 - HB3 ARG 91 far 0 42 0 - 8.3-8.8 HG3 GLU 17 - HG12 ILE 15 far 0 86 0 - 8.3-10.7 HG3 MET 21 - HB3 ARG 91 far 0 43 0 - 8.4-9.2 HG3 GLU 17 - HD3 LYS 12 far 0 68 0 - 8.8-13.1 HG3 GLU 17 - HD2 LYS 12 far 0 68 0 - 9.5-12.6 Violated in 1 structures by 0.10 A. Peak 12236 from cnoeabs.peaks (2.42, 2.81, 41.80 ppm; 5.16 A increased from 4.58 A): 1 out of 9 assignments used, quality = 0.98: HG3 GLU 17 + HE2 LYS 90 OK 98 98 100 100 2.4-5.2 9045/1.8=87...(35) HG3 MET 21 - HE2 LYS 90 poor 19 94 25 80 3.7-6.1 ~12042=48, 12232/3.0=24...(6) HG3 MET 1 - HE2 LYS 53 far 5 90 5 - 5.4-8.1 HG3 MET 1 - HE3 LYS 53 far 4 85 5 - 4.5-7.9 HB3 MET 21 - HE2 LYS 90 far 0 94 0 - 5.9-8.2 HG3 GLU 99 - HE2 LYS 53 far 0 77 0 - 6.1-11.0 HG3 GLU 99 - HE3 LYS 53 far 0 72 0 - 7.2-11.7 HG2 GLN 72 - HE2 LYS 53 far 0 89 0 - 9.9-13.7 HG3 GLN 50 - HE2 LYS 53 far 0 85 0 - 9.9-14.0 Violated in 1 structures by 0.00 A. Peak 12237 from cnoeabs.peaks (2.91, 3.89, 59.20 ppm; 6.17 A increased from 5.48 A): 4 out of 15 assignments used, quality = 0.97: HG2 MET 21 + HA ARG 91 OK 69 76 100 91 4.9-6.1 8546/9956=52, ~8539=46...(7) HE3 LYS 94 + HA ARG 91 OK 68 100 75 90 2.2-7.2 7.3/4021=33, 4.8/4196=30...(10) HE2 LYS 94 + HA ARG 91 OK 62 98 70 90 2.9-7.2 7.3/4021=33, 4.8/4196=30...(10) HE3 LYS 39 + HA GLU 35 OK 24 70 55 63 6.0-7.8 10564/4.9=24...(6) HE2 LYS 66 - HA GLU 35 far 14 95 15 - 6.2-10.1 HE3 LYS 39 - HA LYS 40 poor 13 33 40 - 5.3-7.3 HE2 LYS 39 - HA GLU 35 poor 12 58 20 - 5.9-8.0 HE3 LYS 90 - HA ARG 91 far 4 83 5 - 6.4-8.6 HE3 LYS 66 - HA GLU 35 far 0 99 0 - 6.5-9.6 HE2 LYS 39 - HA LYS 40 far 0 27 0 - 6.6-8.0 HE2 LYS 39 - HA GLU 43 far 0 55 0 - 8.0-9.6 HE3 LYS 39 - HA GLU 43 far 0 66 0 - 8.4-9.9 HE3 LYS 73 - HA GLU 35 far 0 64 0 - 9.3-14.2 HE3 LYS 73 - HA GLU 43 far 0 61 0 - 9.3-14.9 HE3 LYS 73 - HA LYS 40 far 0 30 0 - 9.4-16.3 Violated in 0 structures by 0.00 A. Peak 12238 from cnoeabs.peaks (2.92, 3.89, 59.20 ppm; 6.17 A increased from 5.48 A): 3 out of 10 assignments used, quality = 0.98: HG2 MET 21 + HA ARG 91 OK 87 91 100 95 4.9-6.1 3920/9956=68, ~8539=46...(7) HE3 LYS 94 + HA ARG 91 OK 67 99 75 90 2.2-7.2 7.3/4021=33, 4.8/4196=30...(10) HE2 LYS 94 + HA ARG 91 OK 63 100 70 90 2.9-7.2 7.3/4021=33, 4.8/4196=30...(10) HE2 LYS 66 - HA GLU 35 far 13 84 15 - 6.2-10.1 HE3 LYS 90 - HA ARG 91 far 5 95 5 - 6.4-8.6 HE3 LYS 66 - HA GLU 35 far 0 92 0 - 6.5-9.6 HE3 LYS 73 - HA GLU 35 far 0 83 0 - 9.3-14.2 HE3 LYS 73 - HA GLU 43 far 0 79 0 - 9.3-14.9 HE2 LYS 73 - HA GLU 35 far 0 74 0 - 9.3-14.6 HE3 LYS 73 - HA LYS 40 far 0 41 0 - 9.4-16.3 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 4.2-5.2 4.6=100 QE PHE 96 + HD2 LYS 53 OK 51 51 100 100 4.2-5.6 9214/1.8=83, 9216/3.0=49...(17) HD21 ASN 51 - HD2 LYS 53 far 0 71 0 - 8.8-11.0 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 3 assignments used, quality = 0.99: HB2 PHE 96 + HG13 ILE 93 OK 90 90 100 100 4.9-5.6 4127/4.0=93, ~10031=61...(11) HB2 TRP 92 + HG13 ILE 93 OK 89 90 100 100 3.3-3.7 10997/2.1=86...(9) HD3 ARG 79 - HG13 ILE 93 far 0 76 0 - 9.2-12.4 Violated in 0 structures by 0.00 A. Peak 12247 from cnoeabs.peaks (3.10, 2.03, 30.80 ppm; 6.50 A): 2 out of 4 assignments used, quality = 1.00: HB2 TRP 92 + HG12 ILE 93 OK 99 99 100 100 4.8-5.5 7484/7495=93...(8) HB2 PHE 96 + HG12 ILE 93 OK 99 99 100 100 4.8-5.7 4127/4122=94...(11) HD3 ARG 79 - HG12 ILE 93 far 0 75 0 - 8.5-13.1 HD2 ARG 79 - HG12 ILE 93 far 0 71 0 - 9.9-13.3 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 6 assignments used, quality = 0.99: HA LYS 94 + QG2 ILE 93 OK 99 100 100 99 3.3-3.6 3.0/7508=68, ~7507=41...(16) HA ALA 89 - QG2 ILE 93 far 0 77 0 - 6.2-6.4 HA ARG 91 - QG2 ILE 93 far 0 95 0 - 6.2-6.6 HA3 GLY 101 - QG2 ILE 93 far 0 90 0 - 8.3-11.4 HA2 GLY 100 - QG2 ILE 93 far 0 100 0 - 8.8-10.4 HA2 GLY 101 - QG2 ILE 93 far 0 100 0 - 8.9-12.2 Violated in 0 structures by 0.00 A. Peak 12250 from cnoeabs.peaks (2.10, 1.62, 29.40 ppm; 4.07 A): 1 out of 10 assignments used, quality = 0.94: QE MET 21 + HD2 LYS 94 OK 94 100 95 99 2.9-4.4 995/3.5=80, 10443=62...(11) QE MET 21 - HD3 LYS 94 poor 16 78 20 - 3.8-5.4 HB2 MET 74 - HD3 LYS 39 far 0 42 0 - 6.1-7.7 HB3 GLU 43 - HD3 LYS 39 far 0 45 0 - 7.3-8.2 HB3 LEU 38 - HD3 LYS 39 far 0 58 0 - 7.5-9.3 HB3 GLU 35 - HD3 LYS 39 far 0 68 0 - 8.0-9.6 HB3 GLU 69 - HD3 LYS 39 far 0 60 0 - 8.9-10.8 HB3 GLU 88 - HD3 LYS 94 far 0 62 0 - 9.1-12.7 HB2 GLU 69 - HD3 LYS 39 far 0 60 0 - 9.7-11.2 HB3 GLU 88 - HD2 LYS 94 far 0 87 0 - 9.7-13.5 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 = 0.83: QE MET 21 + HD2 LYS 94 OK 72 73 100 99 2.9-4.4 995/3.5=85, 10443=70...(11) QE MET 21 + HD3 LYS 94 OK 40 100 40 99 3.8-5.4 995/3.5=85, 10443/1.8=56...(12) HB3 GLU 88 - HD3 LYS 94 far 0 87 0 - 9.1-12.7 HB3 GLU 88 - HD2 LYS 94 far 0 58 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 12252 from cnoeabs.peaks (2.10, 1.34, 24.60 ppm; 4.94 A increased from 4.65 A): 2 out of 7 assignments used, quality = 1.00: QE MET 21 + HG2 LYS 94 OK 100 100 100 100 4.0-4.9 995/2.9=100...(9) HB3 GLU 37 + HG3 LYS 40 OK 30 67 45 100 3.7-5.7 ~8962=47, ~8835=47...(18) HB3 GLU 43 - HG3 LYS 40 poor 14 50 60 47 4.8-6.2 ~10580=23, 4.4/8973=17...(5) HG3 GLU 37 - HG3 LYS 40 far 8 84 10 - 5.2-7.3 HB3 LEU 38 - HG3 LYS 40 far 0 63 0 - 6.8-8.6 HG2 GLU 44 - HG3 LYS 40 far 0 53 0 - 7.2-8.9 HB3 GLU 88 - HG2 LYS 94 far 0 88 0 - 8.6-11.4 Violated in 0 structures by 0.00 A. Peak 12253 from cnoeabs.peaks (2.10, 1.38, 24.60 ppm; 4.70 A increased from 4.42 A): 2 out of 7 assignments used, quality = 1.00: QE MET 21 + HG3 LYS 94 OK 100 100 100 100 3.6-4.8 995/2.9=98, 12250/3.0=76...(9) HB3 GLU 37 + HG3 LYS 40 OK 24 60 40 100 3.7-5.7 ~8962=43, ~8835=43...(18) HB3 GLU 43 - HG3 LYS 40 poor 20 44 45 - 4.8-6.2 HG3 GLU 37 - HG3 LYS 40 far 0 75 0 - 5.2-7.3 HB3 LEU 38 - HG3 LYS 40 far 0 55 0 - 6.8-8.6 HG2 GLU 44 - HG3 LYS 40 far 0 47 0 - 7.2-8.9 HB3 GLU 88 - HG3 LYS 94 far 0 88 0 - 8.7-12.6 Violated in 0 structures by 0.00 A. Peak 12255 from cnoeabs.peaks (2.50, 1.34, 24.60 ppm; 5.86 A): 2 out of 6 assignments used, quality = 0.90: HG3 GLU 95 + HG2 LYS 94 OK 77 79 100 98 2.2-5.9 4.8/7532=73...(8) HG3 GLU 98 + HG2 LYS 94 OK 56 88 85 75 3.7-7.0 10465=45, 12257/1.8=26...(6) HD2 ARG 91 - HG2 LYS 94 far 0 99 0 - 6.2-7.9 HB3 ASP 36 - HG3 LYS 40 far 0 77 0 - 6.6-8.4 HB2 ASP 36 - HG3 LYS 40 far 0 77 0 - 7.1-9.4 HB3 ASP 87 - HG2 LYS 94 far 0 100 0 - 9.1-12.4 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 80 82 100 97 2.2-6.2 4.8/7533=81...(7) HG2 GLU 37 + HG3 LYS 40 OK 72 72 100 100 5.2-6.2 11067=96, ~8846=72...(11) HG2 GLU 98 + HG3 LYS 94 OK 33 79 55 75 3.6-8.4 ~10465=37, ~12255=33...(5) HG2 GLU 99 - HG3 LYS 94 far 0 88 0 - 6.8-10.4 Violated in 0 structures by 0.00 A. Peak 12257 from cnoeabs.peaks (2.50, 1.38, 24.60 ppm; 6.17 A increased from 5.48 A): 2 out of 7 assignments used, quality = 0.84: HG3 GLU 95 + HG3 LYS 94 OK 73 79 95 97 2.2-6.7 4.8/7533=75...(8) HG3 GLU 98 + HG3 LYS 94 OK 40 88 80 58 2.2-6.8 10465/1.8=42...(4) HD2 ARG 91 - HG3 LYS 94 poor 6 99 30 21 5.7-9.5 4.8/4220=16, 4070/10994=4 HB3 ASP 36 - HG3 LYS 40 far 0 75 0 - 6.6-8.4 HB2 ASP 36 - HG3 LYS 40 far 0 75 0 - 7.1-9.4 HB3 ASP 87 - HG3 LYS 94 far 0 100 0 - 8.9-13.7 HB2 ASP 87 - HG3 LYS 94 far 0 100 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 12258 from cnoeabs.peaks (2.10, 2.91, 41.80 ppm; 4.36 A increased from 4.11 A): 7 out of 43 assignments used, quality = 0.92: HB3 PRO 86 + HE3 LYS 90 OK 57 68 90 94 3.5-5.1 10967/9906=42...(18) QE MET 21 + HE3 LYS 94 OK 29 100 30 97 3.6-6.1 12250/3.0=68, 995/4.8=61...(7) HG2 GLU 69 + HE3 LYS 68 OK 28 84 40 84 2.8-7.1 1.8/12281=66...(11) QE MET 21 + HE2 LYS 94 OK 24 97 25 97 3.9-6.1 12250/3.0=68, 995/4.8=61...(7) HB2 LEU 64 + HE3 LYS 68 OK 24 98 25 96 4.6-8.1 ~10264=33, ~11010=31...(25) HB2 GLU 69 + HE2 LYS 66 OK 23 72 45 72 3.9-6.2 10802/2.9=20...(13) HB2 GLU 16 + HE2 LYS 20 OK 23 85 30 88 3.1-6.2 12058/3.0=65, ~9580=13...(13) HB2 GLU 69 - HE3 LYS 66 poor 20 80 35 71 3.8-6.7 10802/2.9=20...(13) HB2 GLU 16 - HE3 LYS 20 poor 19 85 25 88 4.2-6.5 12058/3.0=65, ~9580=13...(14) HG2 GLU 69 - HE3 LYS 66 poor 16 80 20 - 2.9-7.4 HB3 GLU 69 - HE2 LYS 66 poor 14 72 20 - 4.4-7.0 HG2 GLU 69 - HE2 LYS 66 far 11 72 15 - 3.4-7.0 HG2 GLU 69 - HE2 LYS 68 far 8 84 10 - 4.4-7.6 HB3 GLU 69 - HE3 LYS 66 far 8 80 10 - 4.3-7.5 HB2 LEU 64 - HE2 LYS 68 far 5 98 5 - 4.5-8.0 HB3 GLU 35 - HE2 LYS 66 far 0 80 0 - 4.7-8.6 HB2 GLU 69 - HE3 LYS 68 far 0 84 0 - 4.9-7.6 HB3 GLU 35 - HE3 LYS 66 far 0 88 0 - 5.0-8.4 HB2 PRO 86 - HE3 LYS 90 far 0 58 0 - 5.0-6.7 QE MET 21 - HE3 LYS 90 far 0 68 0 - 5.6-7.4 HB3 GLU 62 - HE3 LYS 66 far 0 95 0 - 5.7-9.2 HB3 GLU 62 - HE2 LYS 66 far 0 88 0 - 5.8-8.9 HB3 GLU 69 - HE3 LYS 68 far 0 84 0 - 5.8-8.4 HB3 PRO 86 - HE2 LYS 20 far 0 100 0 - 5.9-10.1 HB2 GLU 69 - HE2 LYS 68 far 0 84 0 - 6.2-7.9 HB2 GLU 23 - HE3 LYS 20 far 0 97 0 - 6.7-10.9 HB2 PRO 86 - HE2 LYS 20 far 0 93 0 - 6.8-10.6 QE MET 21 - HE2 LYS 20 far 0 100 0 - 6.8-10.1 HB3 GLU 69 - HE2 LYS 68 far 0 84 0 - 6.8-8.9 HB2 GLU 16 - HE3 LYS 90 far 0 52 0 - 6.9-9.3 HB2 LEU 64 - HE3 LYS 66 far 0 95 0 - 7.1-10.7 HB3 PRO 86 - HE3 LYS 20 far 0 100 0 - 7.1-10.7 QE MET 21 - HE3 LYS 20 far 0 100 0 - 7.1-9.9 HB3 LEU 38 - HE2 LYS 66 far 0 69 0 - 7.4-11.6 HB2 PRO 86 - HE3 LYS 20 far 0 93 0 - 7.7-11.2 HB3 LEU 38 - HE3 LYS 66 far 0 76 0 - 8.2-11.3 HB2 GLU 23 - HE2 LYS 20 far 0 97 0 - 8.4-10.6 HB2 LEU 64 - HE2 LYS 66 far 0 88 0 - 8.6-10.6 HB3 GLU 88 - HE3 LYS 94 far 0 88 0 - 8.8-14.2 HB3 GLU 62 - HE2 LYS 68 far 0 98 0 - 9.3-12.9 HB3 GLU 62 - HE3 LYS 68 far 0 98 0 - 9.4-12.8 HB3 GLU 88 - HE2 LYS 94 far 0 83 0 - 9.5-14.3 HB3 GLU 88 - HE3 LYS 90 far 0 54 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 12259 from cnoeabs.peaks (2.10, 2.92, 41.80 ppm; 4.36 A increased from 4.11 A): 6 out of 50 assignments used, quality = 0.94: HB3 PRO 86 + HE3 LYS 90 OK 77 90 90 95 3.5-5.1 10967/9906=44...(18) QE MET 21 + HE3 LYS 94 OK 29 98 30 97 3.6-6.1 12250/3.0=68, 995/4.8=61...(7) HG2 GLU 69 + HE3 LYS 68 OK 27 76 40 89 2.8-7.1 1.8/12281=78...(11) QE MET 21 + HE2 LYS 94 OK 24 100 25 97 3.9-6.1 12250/3.0=68, 995/4.8=61...(7) HB2 LEU 64 + HE3 LYS 68 OK 22 92 25 95 4.6-8.1 ~10264=33, ~11010=31...(25) HB2 GLU 16 + HE2 LYS 20 OK 22 82 30 88 3.1-6.2 12058/3.0=65, ~9580=13...(14) HB2 GLU 16 - HE3 LYS 20 poor 18 83 25 88 4.2-6.5 12058/3.0=65, ~9580=13...(14) HB2 GLU 69 - HE2 LYS 66 poor 17 53 45 72 3.9-6.2 10802/2.9=20...(13) HB2 GLU 69 - HE3 LYS 66 poor 16 65 35 71 3.8-6.7 10802/2.9=20...(13) HG2 GLU 69 - HE3 LYS 66 poor 13 65 20 - 2.9-7.4 HB3 GLU 69 - HE2 LYS 66 poor 11 53 20 - 4.4-7.0 HG2 GLU 69 - HE2 LYS 66 far 8 53 15 - 3.4-7.0 HG2 GLU 69 - HE2 LYS 68 far 8 78 10 - 4.4-7.6 HB3 GLU 69 - HE3 LYS 73 far 8 50 15 - 3.6-7.0 HB3 GLU 69 - HE3 LYS 66 far 6 65 10 - 4.3-7.5 HB2 LEU 64 - HE2 LYS 68 far 5 94 5 - 4.5-8.0 HB3 GLU 35 - HE2 LYS 66 far 0 60 0 - 4.7-8.6 HB2 GLU 69 - HE3 LYS 68 far 0 76 0 - 4.9-7.6 HB3 GLU 35 - HE3 LYS 66 far 0 73 0 - 5.0-8.4 HB2 PRO 86 - HE3 LYS 90 far 0 80 0 - 5.0-6.7 HB2 GLU 69 - HE3 LYS 73 far 0 50 0 - 5.4-8.4 QE MET 21 - HE3 LYS 90 far 0 90 0 - 5.6-7.4 HB3 GLU 62 - HE3 LYS 66 far 0 81 0 - 5.7-9.2 HB3 GLU 62 - HE2 LYS 66 far 0 67 0 - 5.8-8.9 HB2 MET 74 - HE3 LYS 73 far 0 35 0 - 5.8-10.7 HB3 GLU 69 - HE3 LYS 68 far 0 76 0 - 5.8-8.4 HB3 PRO 86 - HE2 LYS 20 far 0 98 0 - 5.9-10.1 HG2 GLU 69 - HE3 LYS 73 far 0 50 0 - 6.1-9.8 HB2 GLU 69 - HE2 LYS 68 far 0 78 0 - 6.2-7.9 HB2 GLU 23 - HE3 LYS 20 far 0 95 0 - 6.7-10.9 HB2 PRO 86 - HE2 LYS 20 far 0 90 0 - 6.8-10.6 QE MET 21 - HE2 LYS 20 far 0 99 0 - 6.8-10.1 HB3 GLU 69 - HE2 LYS 68 far 0 78 0 - 6.8-8.9 HB2 GLU 16 - HE3 LYS 90 far 0 72 0 - 6.9-9.3 HB2 LEU 64 - HE3 LYS 66 far 0 81 0 - 7.1-10.7 HB3 PRO 86 - HE3 LYS 20 far 0 99 0 - 7.1-10.7 QE MET 21 - HE3 LYS 20 far 0 99 0 - 7.1-9.9 HB3 LEU 38 - HE2 LYS 66 far 0 50 0 - 7.4-11.6 HB2 PRO 86 - HE3 LYS 20 far 0 91 0 - 7.7-11.2 HB3 LEU 38 - HE3 LYS 73 far 0 48 0 - 8.2-15.1 HB3 LEU 38 - HE3 LYS 66 far 0 62 0 - 8.2-11.3 HB2 GLU 23 - HE2 LYS 20 far 0 94 0 - 8.4-10.6 HB3 GLU 35 - HE3 LYS 73 far 0 57 0 - 8.5-13.8 HB2 LEU 64 - HE2 LYS 66 far 0 67 0 - 8.6-10.6 HB3 GLU 88 - HE3 LYS 94 far 0 84 0 - 8.8-14.2 HB3 GLU 62 - HE2 LYS 68 far 0 94 0 - 9.3-12.9 HB3 GLU 62 - HE3 LYS 68 far 0 92 0 - 9.4-12.8 HB2 GLU 75 - HE3 LYS 73 far 0 39 0 - 9.4-12.6 HB3 GLU 88 - HE2 LYS 94 far 0 88 0 - 9.5-14.3 HB3 GLU 88 - HE3 LYS 90 far 0 75 0 - 9.9-10.4 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 = 0.57: H GLY 101 + HB2 GLU 99 OK 35 63 90 63 2.7-5.0 10099/3.0=24...(9) H GLY 101 + HB3 GLU 99 OK 33 63 85 63 2.3-5.4 10099/3.0=24...(9) H SER 102 - HB2 GLU 99 poor 20 100 20 - 3.0-9.0 H SER 102 - HB3 GLU 99 far 15 100 15 - 2.1-9.7 H ARG 46 - HB3 GLU 43 far 0 35 0 - 5.3-5.7 H GLY 101 - HB3 GLU 98 far 0 61 0 - 5.5-8.2 H ARG 46 - HB3 GLU 48 far 0 40 0 - 5.7-6.5 H GLY 101 - HB2 GLU 98 far 0 61 0 - 5.9-8.0 H LYS 39 - HB3 GLU 43 far 0 52 0 - 7.4-8.4 H SER 102 - HB2 GLU 98 far 0 99 0 - 7.4-11.8 H SER 102 - HB3 GLU 98 far 0 99 0 - 7.8-11.7 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 = 0.57: H GLY 101 + HB2 GLU 99 OK 35 63 90 63 2.7-5.0 10099/3.0=24...(9) H GLY 101 + HB3 GLU 99 OK 33 63 85 63 2.3-5.4 10099/3.0=24...(9) H SER 102 - HB2 GLU 99 poor 20 100 20 - 3.0-9.0 H SER 102 - HB3 GLU 99 far 15 100 15 - 2.1-9.7 H ARG 46 - HB3 GLU 43 far 0 35 0 - 5.3-5.7 H GLY 101 - HB3 GLU 98 far 0 61 0 - 5.5-8.2 H ARG 46 - HB3 GLU 48 far 0 40 0 - 5.7-6.5 H GLY 101 - HB2 GLU 98 far 0 61 0 - 5.9-8.0 H LYS 39 - HB3 GLU 43 far 0 52 0 - 7.4-8.4 H SER 102 - HB2 GLU 98 far 0 99 0 - 7.4-11.8 H SER 102 - HB3 GLU 98 far 0 99 0 - 7.8-11.7 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 5 assignments used, quality = 0.99: HB2 LEU 2 + HA ILE 52 OK 98 100 100 98 1.9-2.3 8046=48, 1.8/8047=36...(19) HB ILE 52 + HA ILE 52 OK 68 68 100 100 2.5-2.7 3.0=100 HB3 LYS 53 - HA ILE 52 far 0 92 0 - 4.6-4.8 HD2 ARG 81 - HA THR 80 far 0 58 0 - 6.2-8.0 HB2 GLU 28 - HA ILE 52 far 0 63 0 - 9.4-9.9 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 9 assignments used, quality = 1.00: QD1 LEU 2 + HA ILE 52 OK 100 100 100 100 2.5-3.4 8049=88, 12039/3.8=77...(17) QG2 ILE 76 - HA ILE 52 far 0 100 0 - 5.8-6.7 QD2 LEU 64 - HA THR 80 far 0 57 0 - 5.9-6.3 QD1 LEU 38 - HA THR 80 far 0 55 0 - 6.4-7.1 HG13 ILE 8 - HA THR 80 far 0 69 0 - 7.1-9.9 QD1 LEU 103 - HA ILE 52 far 0 93 0 - 7.8-14.8 QD1 LEU 103 - HA THR 80 far 0 60 0 - 8.4-20.2 QG2 ILE 76 - HA THR 80 far 0 70 0 - 8.7-9.5 QG1 VAL 32 - HA THR 80 far 0 54 0 - 9.4-9.8 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 12 assignments used, quality = 0.84: QG2 ILE 52 + HA ILE 52 OK 70 70 100 100 3.1-3.2 3.2=100 QD2 LEU 57 + HA THR 80 OK 47 61 95 80 3.6-4.7 9736/7311=39...(6) QD2 LEU 2 - HA ILE 52 far 0 100 0 - 4.2-4.6 QD1 LEU 57 - HA THR 80 far 0 63 0 - 4.8-5.8 QD2 LEU 38 - HA THR 80 far 0 67 0 - 6.4-7.0 QD1 ILE 76 - HA ILE 52 far 0 98 0 - 8.1-9.1 QG2 VAL 32 - HA THR 80 far 0 60 0 - 8.4-9.0 QG2 ILE 8 - HA THR 80 far 0 52 0 - 8.4-8.8 QD2 LEU 103 - HA ILE 52 far 0 97 0 - 8.6-13.8 QD1 LEU 70 - HA THR 80 far 0 69 0 - 8.6-9.4 QD1 ILE 76 - HA THR 80 far 0 65 0 - 9.6-10.1 QG2 ILE 7 - HA THR 80 far 0 64 0 - 9.7-9.9 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 8 assignments used, quality = 0.63: QD2 LEU 2 + HB2 LEU 2 OK 63 63 100 100 2.7-3.2 3.1=100 QG2 ILE 52 - HB2 LEU 2 far 0 100 0 - 4.1-4.3 QG1 VAL 54 - HB2 LEU 2 far 0 99 0 - 7.8-8.3 QD1 LEU 27 - HB2 LEU 2 far 0 100 0 - 7.8-8.9 QG1 VAL 78 - HB2 LEU 2 far 0 84 0 - 7.8-8.8 QD1 ILE 76 - HB2 LEU 2 far 0 79 0 - 8.8-10.0 QD2 LEU 42 - HB2 LEU 2 far 0 100 0 - 9.0-9.5 QD1 LEU 6 - HB2 LEU 2 far 0 100 0 - 9.6-10.5 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 2 assignments used, quality = 1.00: QD1 ILE 52 + HB2 LEU 2 OK 100 100 100 100 2.9-3.7 2.1/8051=76...(19) QD2 LEU 27 - HB2 LEU 2 far 0 73 0 - 6.3-7.7 Violated in 0 structures by 0.00 A. Peak 12277 from cnoeabs.peaks (2.02, 1.70, 43.59 ppm; 5.80 A): 2 out of 5 assignments used, quality = 0.89: HB3 GLU 48 + HB2 LEU 2 OK 73 73 100 100 3.8-5.2 8053/3.1=76, ~9038=63...(23) QE MET 1 + HB2 LEU 2 OK 57 59 100 96 5.0-5.5 5.3/8007=56, ~8058=52...(9) HB3 MET 1 - HB2 LEU 2 far 0 98 0 - 6.8-7.2 HB2 GLN 50 - HB2 LEU 2 far 0 99 0 - 7.5-9.1 HB2 GLU 44 - HB2 LEU 2 far 0 96 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 12278 from cnoeabs.peaks (8.47, 3.81, 59.95 ppm; 5.53 A increased from 5.20 A): 2 out of 7 assignments used, quality = 1.00: H ALA 67 + HA LYS 68 OK 100 100 100 100 5.3-5.4 7103/2.9=99, 7120/3.6=79...(11) H LEU 29 + HA ARG 19 OK 78 87 90 99 5.2-5.9 4.8/8685=74, 6470/787=50...(8) H ARG 79 - HA LYS 68 far 0 85 0 - 6.7-7.3 H ILE 7 - HA ARG 19 far 0 95 0 - 6.9-7.6 H THR 31 - HA ARG 19 far 0 89 0 - 7.8-8.5 H VAL 54 - HA LYS 68 far 0 96 0 - 9.0-9.5 H VAL 32 - HA ARG 19 far 0 99 0 - 9.5-10.3 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 4.2-5.0 10137/3.1=87...(14) QD2 LEU 55 - HB3 LEU 27 far 0 52 0 - 6.0-6.8 QD1 LEU 55 - HB3 LEU 27 far 0 67 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 12280 from cnoeabs.peaks (2.96, 2.13, 35.87 ppm; 5.66 A increased from 4.53 A): 2 out of 7 assignments used, quality = 0.95: HB3 PHE 45 + HG2 GLU 44 OK 84 93 90 100 5.3-6.4 3.7/6726=81, 2.5/8990=76...(7) HB2 PHE 45 + HG2 GLU 44 OK 68 76 90 100 5.3-6.4 3.7/6726=81, 2.5/8990=76...(8) HE2 LYS 47 - HG2 GLU 44 poor 18 88 20 - 3.2-8.1 HE3 LYS 47 - HG2 GLU 44 far 9 88 10 - 4.3-8.3 HE2 LYS 73 - HG2 GLU 69 far 5 100 5 - 5.8-10.6 HE3 LYS 73 - HG2 GLU 69 far 0 99 0 - 6.1-9.8 HB2 ASN 51 - HG2 GLU 104 far 0 79 0 - 9.1-17.2 Violated in 1 structures by 0.00 A. Peak 12281 from cnoeabs.peaks (2.94, 2.34, 35.87 ppm; 4.16 A): 0 out of 18 assignments used, quality = 0.00: HE3 LYS 68 - HG3 GLU 69 poor 16 82 45 45 3.8-7.2 3.6/10185=24...(7) HE2 LYS 47 - HG3 GLU 44 far 7 50 15 - 2.1-6.9 HE3 LYS 47 - HG3 GLU 44 far 5 50 10 - 3.3-7.0 HE2 LYS 68 - HG3 GLU 69 far 4 85 5 - 4.4-7.6 HE2 LYS 20 - HG2 GLU 16 far 4 83 5 - 4.1-8.3 HE3 LYS 12 - HG2 GLU 16 far 4 72 5 - 3.2-8.5 HE3 LYS 47 - HG2 GLU 48 far 3 51 5 - 4.0-9.1 HE3 LYS 66 - HG3 GLU 69 far 0 69 0 - 4.5-8.4 HE2 LYS 47 - HG2 GLU 48 far 0 51 0 - 4.7-9.1 HE2 LYS 73 - HG3 GLU 69 far 0 95 0 - 4.7-10.5 HE3 LYS 73 - HG3 GLU 69 far 0 98 0 - 4.8-9.5 HE3 LYS 20 - HG2 GLU 16 far 0 84 0 - 5.4-8.5 HE3 LYS 13 - HG2 GLU 16 far 0 83 0 - 5.5-10.7 HE2 LYS 13 - HG2 GLU 16 far 0 80 0 - 5.8-10.6 HB3 PHE 45 - HG2 GLU 48 far 0 64 0 - 5.9-8.7 HB3 PHE 45 - HG3 GLU 44 far 0 63 0 - 6.0-7.0 HB2 ASN 51 - HG2 GLU 48 far 0 91 0 - 7.8-9.8 HE3 LYS 90 - HG2 GLU 16 far 0 97 0 - 9.5-11.7 Violated in 1 structures by 0.00 A. Peak 12282 from cnoeabs.peaks (7.43, 2.22, 29.86 ppm; 5.39 A increased from 5.08 A): 1 out of 3 assignments used, quality = 0.58: HE3 TRP 92 + HB2 GLU 95 OK 58 60 100 97 3.4-5.2 14641/1.8=68...(5) H ARG 91 - HB2 GLU 95 far 0 34 0 - 6.4-8.6 H ALA 89 - HB2 GLU 95 far 0 58 0 - 9.3-11.6 Violated in 0 structures by 0.00 A. Peak 12283 from cnoeabs.peaks (0.87, 2.38, 33.69 ppm; 5.42 A): 1 out of 3 assignments used, quality = 0.71: QD1 LEU 2 + HG2 GLN 50 OK 71 74 100 95 4.4-5.4 12293/2.9=71...(9) QD1 LEU 103 - HG2 GLN 50 far 0 73 0 - 7.9-19.0 QG2 ILE 76 - HG2 GLN 50 far 0 74 0 - 8.4-10.5 Violated in 1 structures by 0.00 A. Peak 12284 from cnoeabs.peaks (4.42, 2.67, 39.58 ppm; 6.07 A increased from 5.40 A): 1 out of 3 assignments used, quality = 0.95: HA GLN 50 + HB3 ASN 51 OK 95 95 100 100 5.6-6.3 3.6/6836=98, 9129/3.5=76...(11) HA GLU 48 - HB3 ASN 51 far 15 98 15 - 6.2-7.8 HA SER 102 - HB3 ASN 51 far 0 68 0 - 7.0-14.1 Violated in 1 structures by 0.01 A. Peak 12285 from cnoeabs.peaks (6.91, 2.83, 41.80 ppm; 5.43 A): 0 out of 3 assignments used, quality = 0.00: HD1 TRP 92 - HE2 LYS 90 far 0 51 0 - 9.0-10.2 HD21 ASN 60 - HE3 LYS 82 far 0 28 0 - 9.2-10.2 HD1 TRP 92 - HE3 LYS 82 far 0 26 0 - 9.4-10.5 Violated in 20 structures by 2.74 A. Peak 12288 from cnoeabs.peaks (2.10, 1.60, 27.82 ppm; 5.49 A increased from 4.88 A): 4 out of 14 assignments used, quality = 0.93: HB2 GLU 69 + HD2 LYS 66 OK 76 85 100 89 4.4-5.5 2883/5.1=41...(11) HB3 GLU 35 + HD2 LYS 66 OK 44 91 50 98 4.6-7.2 2.9/12308=88...(11) HB2 GLU 16 + HG2 ARG 19 OK 40 67 60 99 5.1-7.9 3.0/8503=58, ~798=56...(14) HG2 GLU 69 + HD2 LYS 66 OK 20 85 30 78 5.1-6.7 ~10802=25, 12286/7073=25...(13) HB3 GLU 69 - HD2 LYS 66 poor 20 85 30 77 4.9-6.3 ~10802=31, ~10797=23...(10) HB3 GLU 62 - HD2 LYS 66 far 0 98 0 - 6.3-8.6 HB3 LEU 38 - HD2 LYS 66 far 0 79 0 - 8.0-10.5 HB2 GLU 23 - HG2 ARG 19 far 0 80 0 - 8.1-10.2 HG3 GLU 28 - HG2 ARG 19 far 0 47 0 - 8.6-13.4 HB2 LEU 64 - HD2 LYS 66 far 0 99 0 - 8.9-10.0 HB2 PRO 86 - HG2 ARG 19 far 0 77 0 - 8.9-11.5 QE MET 21 - HG2 ARG 19 far 0 87 0 - 9.1-9.6 HB3 PRO 86 - HG2 ARG 19 far 0 87 0 - 9.6-12.1 HG2 GLU 28 - HG2 ARG 19 far 0 47 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 12289 from cnoeabs.peaks (2.19, 1.60, 27.82 ppm; 4.89 A): 2 out of 4 assignments used, quality = 0.54: HG3 GLU 35 + HD2 LYS 66 OK 40 100 40 100 3.6-7.8 12308=100, 12161/2.9=27...(12) HB3 GLU 16 + HG2 ARG 19 OK 24 62 40 96 4.8-7.6 3.0/8503=49, ~798=44...(13) HG2 GLU 35 - HD2 LYS 66 far 10 100 10 - 4.0-8.4 HB2 GLU 63 - HD2 LYS 66 far 0 100 0 - 8.6-9.2 Violated in 7 structures by 0.09 A. Peak 12290 from cnoeabs.peaks (2.27, 1.60, 27.82 ppm; 5.72 A increased from 5.38 A): 3 out of 7 assignments used, quality = 0.98: HG2 GLU 62 + HD2 LYS 66 OK 96 100 100 96 3.3-5.8 12300=41, 12287/7073=32...(13) HG3 GLU 62 + HD2 LYS 66 OK 52 100 55 95 4.4-7.3 1.8/12300=34, ~12157=28...(13) HG3 GLU 16 + HG2 ARG 19 OK 24 56 55 79 5.3-8.3 4.1/8503=53...(5) HG2 GLU 23 - HG2 ARG 19 lone 0 86 25 2 5.6-7.5 HG2 GLU 17 - HG2 ARG 19 far 0 74 0 - 7.1-10.0 HG2 GLU 63 - HD2 LYS 66 far 0 77 0 - 7.9-10.2 HB3 GLN 72 - HD2 LYS 66 far 0 77 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 12291 from cnoeabs.peaks (2.49, 1.58, 27.71 ppm; 5.05 A): 0 out of 4 assignments used, quality = 0.00: HG3 GLU 23 - HG2 ARG 19 far 5 100 5 - 5.3-7.7 HG3 GLU 63 - HD2 LYS 66 far 0 62 0 - 8.2-9.8 HB2 ASP 61 - HD2 LYS 66 far 0 71 0 - 8.8-11.2 HB2 ASP 36 - HD2 LYS 66 far 0 76 0 - 9.4-14.5 Violated in 20 structures by 1.29 A. Peak 12292 from cnoeabs.peaks (4.38, 0.78, 26.58 ppm; 5.13 A): 1 out of 4 assignments used, quality = 0.63: HA ALA 25 + QD1 LEU 27 OK 63 63 100 100 4.2-4.9 ~8622=77, 10472/2.1=56...(15) HA ASN 26 - QD1 LEU 27 far 0 76 0 - 5.7-6.2 HA MET 21 - QD1 LEU 27 far 0 67 0 - 7.1-7.7 HA SER 102 - QD1 LEU 27 far 0 93 0 - 7.8-12.1 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 4 assignments used, quality = 0.72: QD1 LEU 2 + HB3 GLN 50 OK 72 74 100 97 3.1-4.3 12283/2.9=56...(10) QD1 LEU 103 - HB3 GLN 50 far 0 89 0 - 7.8-17.3 QG2 ILE 76 - HB3 GLN 50 far 0 73 0 - 8.2-9.2 QD2 LEU 103 - HB3 GLN 50 far 0 58 0 - 9.1-17.7 Violated in 0 structures by 0.00 A. Peak 12295 from cnoeabs.peaks (8.26, 4.10, 58.26 ppm; 5.29 A increased from 4.70 A): 2 out of 5 assignments used, quality = 0.99: H GLU 23 + HA LYS 24 OK 97 98 100 99 5.2-5.3 6376/3.0=94...(4) H PHE 45 + HA ARG 46 OK 63 64 100 99 4.9-5.3 6741/3.0=96, 6759/3.6=66...(6) H ALA 71 - HA LYS 66 far 0 67 0 - 5.9-6.4 H LEU 27 - HA LYS 24 far 0 88 0 - 6.0-6.3 H LYS 94 - HA LYS 24 far 0 100 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 12297 from cnoeabs.peaks (0.81, 4.16, 57.75 ppm; 4.82 A): 0 out of 6 assignments used, quality = 0.00: QG2 ILE 52 - HA LYS 47 far 0 55 0 - 5.7-6.9 QD2 LEU 70 - HA LYS 73 far 0 95 0 - 6.4-7.2 QD1 ILE 76 - HA LYS 47 far 0 82 0 - 6.6-7.7 QD2 LEU 2 - HA LYS 47 far 0 85 0 - 6.9-9.5 QD1 ILE 76 - HA LYS 73 far 0 92 0 - 7.0-7.3 QD1 LEU 70 - HA LYS 73 far 0 94 0 - 8.2-8.7 Violated in 20 structures by 0.28 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 3.6-4.4 7170/7175=85...(12) HB2 LEU 70 - HG3 GLN 72 far 0 40 0 - 7.2-7.7 HG13 ILE 76 - HG3 GLN 72 far 0 49 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 12299 from cnoeabs.peaks (3.02, 1.70, 26.58 ppm; 4.77 A): 0 out of 0 assignments used, quality = 0.00: Peak 12300 from cnoeabs.peaks (1.60, 2.26, 36.63 ppm; 5.70 A increased from 4.56 A): 4 out of 16 assignments used, quality = 0.99: HD2 LYS 66 + HG2 GLU 62 OK 96 100 100 96 3.3-5.8 12290=55, 7073/12287=32...(13) HD2 LYS 66 + HG3 GLU 62 OK 48 100 50 95 4.4-7.3 12290/1.8=46, 12290=30...(13) HD3 LYS 94 + HG2 GLU 95 OK 44 93 60 79 3.5-7.6 7535/7541=37, ~12255=31...(5) HB3 LEU 29 + HG2 GLU 23 OK 27 55 55 90 5.3-6.2 10464/1.8=78...(3) HD2 LYS 94 - HG2 GLU 95 poor 20 74 35 77 4.7-8.0 7534/7541=32, ~12255=31...(5) HG2 LYS 24 - HG2 GLU 23 poor 18 51 35 - 5.5-8.5 HG2 ARG 19 - HG2 GLU 23 poor 13 50 25 - 5.6-7.5 HG LEU 103 - HG2 GLU 95 far 0 84 0 - 6.6-19.0 HB2 ARG 30 - HG2 GLU 37 far 0 72 0 - 7.5-8.8 HB2 ARG 79 - HG2 GLU 95 far 0 93 0 - 7.7-13.6 HB2 LEU 103 - HG2 GLU 95 far 0 87 0 - 7.7-20.2 HD3 LYS 82 - HG3 GLU 62 far 0 71 0 - 8.7-10.4 HG LEU 27 - HG2 GLU 23 far 0 55 0 - 8.8-9.7 HG3 LYS 90 - HG2 GLU 23 far 0 50 0 - 9.4-10.4 HD3 LYS 82 - HG2 GLU 62 far 0 71 0 - 9.5-10.7 HG LEU 27 - HG2 GLU 95 far 0 93 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 12301 from cnoeabs.peaks (3.18, 4.41, 56.92 ppm; 3.88 A): 1 out of 4 assignments used, quality = 1.00: HB2 HIS 106 + HA HIS 106 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ASP 77 - HA HIS 106 far 0 81 0 - 9.4-23.4 HD3 ARG 19 - HA MET 21 far 0 98 0 - 9.5-11.0 HD2 ARG 19 - HA MET 21 far 0 98 0 - 9.7-11.3 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): 1 out of 5 assignments used, quality = 1.00: HA MET 1 + QD2 LEU 2 OK 100 100 100 100 3.2-5.0 8010=99, 8008/2.1=80...(13) HA GLU 104 - QD2 LEU 103 poor 16 28 55 - 3.6-6.2 HA MET 1 - QD2 LEU 103 far 0 56 0 - 6.2-14.2 HA GLU 98 - QD2 LEU 103 far 0 45 0 - 6.6-14.5 HA LYS 47 - QD2 LEU 2 far 0 91 0 - 6.9-9.5 Violated in 0 structures by 0.00 A. Peak 12306 from cnoeabs.peaks (4.09, 2.98, 41.89 ppm; 3.82 A): 1 out of 15 assignments used, quality = 0.23: HA LYS 24 + HE2 LYS 24 OK 23 77 30 99 3.1-5.9 1096/3.7=50, 1053/3.7=30...(64) HA LYS 24 - HE3 LYS 24 far 8 77 10 - 2.5-5.9 HA LYS 20 - HE3 LYS 24 far 2 42 5 - 4.1-9.7 HA LYS 20 - HE2 LYS 24 far 0 42 0 - 5.1-10.0 HA ARG 46 - HE3 LYS 47 far 0 91 0 - 5.7-9.3 HA GLU 17 - HE3 LYS 13 far 0 38 0 - 6.8-11.7 HA ARG 46 - HE2 LYS 47 far 0 91 0 - 6.8-9.5 HA GLU 17 - HE2 LYS 13 far 0 41 0 - 6.9-11.5 HA GLU 17 - HE3 LYS 24 far 0 44 0 - 7.3-12.0 HA PRO 86 - HE3 LYS 13 far 0 71 0 - 7.5-11.4 HA GLU 17 - HE2 LYS 24 far 0 44 0 - 7.5-11.5 HB2 SER 49 - HE3 LYS 47 far 0 68 0 - 8.1-12.2 HA PRO 86 - HE2 LYS 13 far 0 76 0 - 8.4-11.4 HA GLU 17 - HE3 LYS 12 far 0 48 0 - 8.9-13.9 HB2 SER 49 - HE2 LYS 47 far 0 68 0 - 8.9-12.1 Violated in 16 structures by 0.91 A. Peak 12307 from cnoeabs.peaks (8.04, 0.46, 24.71 ppm; 6.50 A): 1 out of 2 assignments used, quality = 0.91: H GLY 101 + QD1 LEU 3 OK 91 91 100 100 3.8-5.2 3.6/12051=96...(8) H SER 102 - QD1 LEU 3 poor 17 96 30 60 3.1-8.2 4.6/10104=59 Violated in 0 structures by 0.00 A. Peak 12308 from cnoeabs.peaks (1.61, 2.20, 36.41 ppm; 4.29 A): 0 out of 21 assignments used, quality = 0.00: HD2 LYS 66 - HG3 GLU 35 poor 20 100 25 79 3.6-7.8 12289=42, 2.9/12162=22...(12) HD2 LYS 66 - HG2 GLU 35 far 10 100 10 - 4.0-8.4 HB2 LYS 40 - HG2 GLU 43 far 0 54 0 - 4.9-7.0 HD3 LYS 39 - HG2 GLU 43 far 0 64 0 - 4.9-5.8 HD3 LYS 39 - HG2 GLU 35 far 0 70 0 - 5.4-7.7 HD3 LYS 39 - HG3 GLU 35 far 0 70 0 - 6.1-8.3 HG3 LYS 73 - HG2 GLU 75 far 0 47 0 - 6.1-8.5 HG3 LYS 73 - HG3 GLU 75 far 0 51 0 - 6.2-8.8 HG3 LYS 47 - HG2 GLU 43 far 0 91 0 - 7.2-8.6 HB ILE 76 - HG2 GLU 75 far 0 25 0 - 7.3-8.5 HB ILE 76 - HG3 GLU 75 far 0 27 0 - 7.3-8.5 HB2 LYS 40 - HG2 GLU 35 far 0 59 0 - 7.5-9.5 HB2 LYS 40 - HG3 GLU 35 far 0 59 0 - 7.8-9.8 HG3 LYS 73 - HG2 GLU 43 far 0 95 0 - 8.3-13.0 HG3 LYS 73 - HG2 GLU 35 far 0 99 0 - 8.5-10.8 HG3 LYS 73 - HG3 GLU 35 far 0 99 0 - 8.5-10.8 HB ILE 76 - HG2 GLU 43 far 0 58 0 - 8.5-10.2 HG2 LYS 68 - HG3 GLU 35 far 0 68 0 - 9.0-11.0 HG2 LYS 68 - HG2 GLU 35 far 0 68 0 - 9.5-12.2 HD3 LYS 39 - HG2 GLU 75 far 0 28 0 - 9.8-13.2 HD3 LYS 39 - HG3 GLU 75 far 0 30 0 - 9.9-13.6 Violated in 4 structures by 0.01 A. Peak 12309 from cnoeabs.peaks (1.68, 2.20, 36.41 ppm; 4.59 A increased from 4.08 A): 2 out of 34 assignments used, quality = 0.99: HG LEU 70 + HG3 GLU 35 OK 94 96 100 98 3.4-4.8 ~10608=48, ~10420=48...(11) HG LEU 70 + HG2 GLU 35 OK 85 96 90 99 4.0-5.5 ~10608=48, ~10420=48...(13) HB3 LEU 70 - HG2 GLU 35 poor 18 71 25 - 4.7-6.0 HD2 LYS 39 - HG2 GLU 35 poor 16 81 25 78 3.7-7.0 3.6/10576=44...(10) HB3 LYS 40 - HG2 GLU 43 far 15 97 15 - 4.3-6.4 HB3 LEU 70 - HG3 GLU 35 far 11 71 15 - 4.5-5.8 HD3 LYS 66 - HG3 GLU 35 far 9 93 10 - 4.2-7.4 HD2 LYS 39 - HG3 GLU 35 far 8 81 10 - 4.4-7.3 HB2 LYS 40 - HG2 GLU 43 far 0 60 0 - 4.9-7.0 HD2 LYS 39 - HG2 GLU 43 far 0 74 0 - 5.3-6.5 HD3 LYS 66 - HG2 GLU 35 far 0 93 0 - 5.5-8.1 HD3 LYS 73 - HG2 GLU 75 far 0 43 0 - 5.5-9.4 HD3 LYS 73 - HG3 GLU 75 far 0 46 0 - 5.8-10.8 HD2 LYS 73 - HG2 GLU 75 far 0 44 0 - 6.1-9.8 HD3 LYS 47 - HG2 GLU 43 far 0 97 0 - 6.6-9.6 HD2 LYS 73 - HG3 GLU 75 far 0 48 0 - 6.8-11.0 HB3 LEU 70 - HG2 GLU 43 far 0 65 0 - 7.3-8.2 HB ILE 76 - HG2 GLU 75 far 0 24 0 - 7.3-8.5 HB ILE 76 - HG3 GLU 75 far 0 26 0 - 7.3-8.5 HD2 LYS 73 - HG2 GLU 43 far 0 91 0 - 7.5-13.0 HB2 LYS 40 - HG2 GLU 35 far 0 65 0 - 7.5-9.5 HD2 LYS 47 - HG2 GLU 43 far 0 97 0 - 7.6-10.0 HB3 LYS 40 - HG2 GLU 35 far 0 100 0 - 7.7-10.9 HB2 LYS 40 - HG3 GLU 35 far 0 65 0 - 7.8-9.8 HD2 LYS 73 - HG3 GLU 35 far 0 96 0 - 8.1-10.8 HD2 LYS 73 - HG2 GLU 35 far 0 96 0 - 8.1-10.7 HB3 LYS 40 - HG3 GLU 35 far 0 100 0 - 8.3-10.8 HB ILE 76 - HG2 GLU 43 far 0 56 0 - 8.5-10.2 HD3 LYS 73 - HG3 GLU 35 far 0 95 0 - 8.8-11.2 HD3 LYS 73 - HG2 GLU 43 far 0 89 0 - 9.0-13.2 HD3 LYS 73 - HG2 GLU 35 far 0 95 0 - 9.2-11.2 HB3 LEU 70 - HG3 GLU 75 far 0 31 0 - 9.7-12.3 HB3 LEU 70 - HG2 GLU 75 far 0 29 0 - 9.7-12.1 HB3 LEU 6 - HG3 GLU 35 far 0 70 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 12310 from cnoeabs.peaks (1.46, 3.71, 58.70 ppm; 4.30 A increased from 3.82 A): 2 out of 11 assignments used, quality = 1.00: HD2 LYS 40 + HA GLU 37 OK 100 100 100 100 2.2-4.3 3.5/1782=64, 3.5/1794=62...(22) HD3 LYS 40 + HA GLU 37 OK 84 100 85 100 2.4-4.7 3.5/1782=64, 3.5/1794=62...(21) HB2 LEU 38 - HA GLU 37 far 0 100 0 - 5.6-6.0 HG2 LYS 13 - HA LEU 14 far 0 31 0 - 6.2-6.6 HG3 LYS 13 - HA LEU 14 far 0 21 0 - 6.4-6.6 HG3 LYS 39 - HA GLU 37 far 0 95 0 - 6.7-8.3 HG12 ILE 7 - HA LEU 14 far 0 25 0 - 6.8-7.6 HG2 LYS 20 - HA LEU 14 far 0 45 0 - 7.8-10.8 HG LEU 38 - HA GLU 37 far 0 100 0 - 7.8-7.9 HG2 LYS 12 - HA LEU 14 far 0 42 0 - 8.7-8.9 QB ALA 22 - HA LEU 14 far 0 35 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 12311 from cnoeabs.peaks (7.46, 1.91, 29.24 ppm; 5.63 A): 2 out of 4 assignments used, quality = 0.78: HE ARG 19 + HB2 ARG 19 OK 59 59 100 100 2.0-4.8 4.8=100 HE ARG 19 + HB3 ARG 19 OK 45 45 100 100 2.4-5.0 4.8=100 HE ARG 46 - HB2 GLU 43 far 15 99 15 - 4.1-8.9 H LYS 47 - HB2 GLU 43 far 10 99 10 - 5.9-6.5 Violated in 0 structures by 0.00 A. Peak 12312 from cnoeabs.peaks (7.46, 2.06, 29.24 ppm; 6.50 A increased from 5.70 A): 2 out of 10 assignments used, quality = 0.47: H LYS 47 + HB3 GLU 43 OK 33 98 70 48 6.3-7.0 6757/3.0=47 HE ARG 19 + HB2 GLU 16 OK 21 95 25 91 5.7-8.9 11050/3.0=60, ~8502=34...(6) HE ARG 46 - HB3 GLU 43 far 10 99 10 - 5.1-10.0 HD22 ASN 26 - HB2 GLU 23 poor 8 74 35 32 5.6-9.7 5.5/8620=30 HE3 TRP 92 - HB2 GLU 99 far 0 53 0 - 6.9-9.6 HE ARG 19 - HB2 GLU 23 far 0 74 0 - 7.1-11.4 HE3 TRP 92 - HB3 GLU 99 far 0 41 0 - 7.3-9.2 HE3 TRP 92 - HB2 GLU 98 far 0 57 0 - 8.5-9.7 HD22 ASN 26 - HB2 GLU 98 far 0 79 0 - 9.4-14.6 HD22 ASN 26 - HB3 GLU 98 far 0 77 0 - 9.8-15.0 Violated in 3 structures by 0.02 A. Peak 12313 from cnoeabs.peaks (7.72, 4.07, 58.19 ppm; 4.28 A): 2 out of 7 assignments used, quality = 0.98: H SER 49 + HA ARG 46 OK 96 100 100 96 3.3-4.1 3.9/10174=57...(7) H ALA 25 + HA LYS 24 OK 61 61 100 100 3.4-3.5 3.6=100 H LEU 64 - HA LYS 66 far 0 86 0 - 6.8-6.9 H MET 21 - HA LYS 24 far 0 34 0 - 7.1-7.7 H MET 74 - HA ARG 46 far 0 85 0 - 8.2-9.4 H VAL 78 - HA ARG 46 far 0 71 0 - 8.7-9.7 H MET 74 - HA LYS 66 far 0 68 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 12314 from cnoeabs.peaks (8.56, 4.43, 55.95 ppm; 4.09 A): 2 out of 2 assignments used, quality = 0.96: H GLN 50 + HA GLU 48 OK 94 99 100 94 3.0-3.6 6806/6798=56...(14) H ASN 51 + HA GLU 48 OK 36 88 65 63 4.1-5.1 9108/10619=18...(11) Violated in 0 structures by 0.00 A. Peak 12315 from cnoeabs.peaks (1.67, 2.30, 29.70 ppm; 5.28 A): 2 out of 5 assignments used, quality = 1.00: HB ILE 52 + HB2 GLU 48 OK 100 100 100 100 2.0-3.3 10645=97, 3.2/9040=78...(29) HB2 LEU 2 + HB2 GLU 48 OK 71 71 100 100 3.1-5.3 3.1/9038=72, ~8053=52...(26) HD3 LYS 47 - HB2 GLU 48 far 0 98 0 - 7.3-9.4 HD2 LYS 47 - HB2 GLU 48 far 0 98 0 - 7.9-9.3 HB3 LYS 53 - HB2 GLU 48 far 0 95 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 12316 from cnoeabs.peaks (1.67, 2.05, 29.70 ppm; 4.64 A): 3 out of 12 assignments used, quality = 1.00: HB ILE 52 + HB3 GLU 48 OK 100 100 100 100 2.2-3.4 10645/1.8=88...(25) HB2 LEU 2 + HB3 GLU 48 OK 50 68 75 100 3.8-5.2 ~9038=41, 3.1/8057=35...(22) HB3 ARG 91 + HB3 GLU 88 OK 27 27 100 98 4.4-4.9 4034/3.0=69, ~4024=50...(13) HD3 LYS 47 - HB3 GLU 48 far 0 96 0 - 5.6-8.4 HB3 LYS 53 - HB3 GLU 99 far 0 57 0 - 6.6-10.2 HB3 LYS 53 - HB2 GLU 99 far 0 61 0 - 6.7-9.1 HD2 LYS 47 - HB3 GLU 48 far 0 97 0 - 6.7-8.1 HB3 ARG 79 - HB2 GLU 99 far 0 67 0 - 7.5-10.1 HB3 ARG 79 - HB3 GLU 99 far 0 63 0 - 7.5-10.8 HG2 PRO 86 - HB3 GLU 88 far 0 22 0 - 8.5-9.7 HB3 LYS 53 - HB3 GLU 48 far 0 93 0 - 8.6-10.0 HB ILE 76 - HB3 GLU 48 far 0 90 0 - 9.3-11.1 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 = 0.84: HB VAL 58 + QG2 ILE 8 OK 65 65 100 100 3.1-4.0 10701/2.1=94, ~10224=85...(25) HB3 ASP 77 + QG2 ILE 52 OK 53 84 100 63 3.5-5.1 9678/10637=34...(6) HB3 TYR 41 - QG2 ILE 8 far 0 47 0 - 8.5-9.4 HG3 MET 74 - QG2 ILE 52 far 0 97 0 - 8.6-10.5 HB3 TYR 41 - QG2 ILE 52 far 0 79 0 - 8.7-9.3 HB3 ASP 65 - QG2 ILE 8 far 0 43 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 12318 from cnoeabs.peaks (2.90, 3.91, 58.27 ppm; 5.28 A): 1 out of 5 assignments used, quality = 1.00: HB2 ASN 60 + HA GLU 63 OK 100 100 100 100 4.5-4.8 9423/2767=72...(7) HE3 LYS 66 - HA GLU 63 far 0 100 0 - 5.8-8.1 HE2 LYS 66 - HA GLU 63 far 0 100 0 - 6.4-8.2 HE3 LYS 68 - HA GLU 63 far 0 99 0 - 8.0-11.2 HE2 LYS 68 - HA GLU 63 far 0 98 0 - 8.7-11.0 Violated in 0 structures by 0.00 A. Peak 12319 from cnoeabs.peaks (0.80, 1.60, 27.82 ppm; 4.07 A): 3 out of 13 assignments used, quality = 0.92: QG2 ILE 15 + HG2 ARG 19 OK 83 84 100 98 2.1-4.1 8516/3.0=52, 8514/3.0=47...(10) QD1 LEU 70 + HD2 LYS 66 OK 39 96 45 91 3.4-5.6 10782/1.8=35...(14) QG2 ILE 7 + HG2 ARG 19 OK 23 87 35 77 4.0-5.0 8519/1.8=31, 8245/4.9=31...(7) QD2 LEU 70 - HD2 LYS 66 poor 16 100 25 64 3.7-6.6 ~10782=28, 9514/3.6=21...(8) QD1 ILE 93 - HG2 ARG 19 far 0 59 0 - 6.0-6.9 QD2 LEU 38 - HD2 LYS 66 far 0 90 0 - 8.3-10.0 QG2 VAL 32 - HG2 ARG 19 far 0 59 0 - 8.5-9.9 QG2 ILE 8 - HD2 LYS 66 far 0 97 0 - 8.8-9.6 QD2 LEU 57 - HG2 ARG 19 far 0 86 0 - 9.0-11.0 QD1 LEU 27 - HG2 ARG 19 far 0 57 0 - 9.3-11.3 QD1 LEU 6 - HG2 ARG 19 far 0 60 0 - 9.5-11.5 QD2 LEU 42 - HD2 LYS 66 far 0 70 0 - 9.9-12.2 QG1 VAL 54 - HG2 ARG 19 far 0 45 0 - 10.0-12.0 Violated in 0 structures by 0.00 A. Peak 12320 from cnoeabs.peaks (0.86, 1.64, 25.26 ppm; 4.88 A increased from 4.59 A): 1 out of 5 assignments used, quality = 0.99: QD2 LEU 64 + HG2 LYS 68 OK 99 100 100 100 4.5-4.9 ~10264=57, ~11010=53...(14) QG2 ILE 76 - HG3 LYS 47 far 0 45 0 - 6.9-8.6 QD1 LEU 38 - HG2 LYS 68 far 0 100 0 - 7.1-7.7 QD1 LEU 2 - HG3 LYS 47 far 0 46 0 - 7.5-8.8 QD2 LEU 38 - HG2 LYS 68 far 0 70 0 - 8.1-8.7 Violated in 1 structures by 0.00 A. Peak 12321 from cnoeabs.peaks (0.97, 1.35, 25.26 ppm; 5.02 A increased from 4.23 A): 1 out of 2 assignments used, quality = 0.98: QG2 THR 80 + HG3 LYS 68 OK 98 98 100 100 4.7-4.8 10256/1.8=92...(15) QG2 THR 80 - HG2 LYS 39 far 0 63 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 12322 from cnoeabs.peaks (3.67, 1.65, 29.52 ppm; 5.64 A increased from 4.51 A): 2 out of 13 assignments used, quality = 1.00: HB THR 80 + HD3 LYS 68 OK 100 100 100 100 3.3-5.5 10788/3.0=75, ~10256=65...(22) HB THR 80 + HD2 LYS 68 OK 100 100 100 100 3.5-5.8 9724/10264=92...(23) HA LYS 90 - HD2 LYS 94 poor 16 58 40 70 5.1-8.2 7501/6.3=50...(5) HA LEU 14 - HD2 LYS 20 far 0 41 0 - 7.1-8.8 HA GLU 37 - HD2 LYS 39 far 0 64 0 - 7.2-8.9 HA LEU 14 - HD3 LYS 20 far 0 47 0 - 7.3-9.7 HA LYS 90 - HD3 LYS 20 far 0 47 0 - 7.4-10.3 HA GLU 88 - HD2 LYS 94 far 0 52 0 - 7.7-11.7 HA LYS 90 - HD2 LYS 20 far 0 42 0 - 8.0-10.4 HA LEU 42 - HD2 LYS 47 far 0 30 0 - 8.5-10.3 HA GLU 37 - HD3 LYS 39 far 0 59 0 - 8.5-9.4 HA LEU 42 - HD2 LYS 39 far 0 71 0 - 8.6-9.5 HA LEU 42 - HD3 LYS 39 far 0 66 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 12323 from cnoeabs.peaks (2.90, 1.70, 27.00 ppm; 6.05 A increased from 5.10 A): 4 out of 10 assignments used, quality = 0.97: HE3 LYS 66 + HG LEU 70 OK 62 100 70 89 3.1-6.9 ~10782=47, 4.7/2892=34...(12) HE2 LYS 39 + HG LEU 70 OK 61 77 85 94 4.6-7.0 ~11009=45, ~10821=41...(10) HE2 LYS 66 + HG LEU 70 OK 58 100 65 89 2.9-7.0 ~10782=47, 4.7/2892=34...(12) HE3 LYS 39 + HG LEU 70 OK 49 87 60 95 4.7-7.6 ~11009=45, ~8958=44...(10) HE3 LYS 90 - HG2 PRO 86 poor 18 43 50 81 5.5-7.5 ~12334=33, 12259/2.3=27...(6) HE2 LYS 20 - HG2 PRO 86 far 0 72 0 - 7.8-11.7 HE3 LYS 68 - HG LEU 70 far 0 100 0 - 8.4-10.9 HE3 LYS 20 - HG2 PRO 86 far 0 71 0 - 8.8-12.5 HG2 MET 21 - HG2 PRO 86 far 0 38 0 - 9.3-10.6 HE2 LYS 68 - HG LEU 70 far 0 99 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 12324 from cnoeabs.peaks (3.80, 2.54, 33.99 ppm; 6.50 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 68 + HG3 GLN 72 OK 100 100 100 100 3.7-4.1 3.0/9563=88...(16) 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 5.3-5.7 12324/1.8=85...(13) 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 = 0.99: HD2 ARG 46 + HA MET 74 OK 99 100 100 99 3.2-4.9 9012=78, 1.8/9013=77...(9) Violated in 0 structures by 0.00 A. Peak 12327 from cnoeabs.peaks (3.16, 4.40, 55.19 ppm; 5.36 A): 1 out of 1 assignment used, quality = 0.76: HD3 ARG 46 + HA MET 74 OK 76 77 100 99 4.0-5.3 1.8/12326=87, 9013=70...(8) Violated in 0 structures by 0.00 A. Peak 12328 from cnoeabs.peaks (4.66, 1.65, 31.20 ppm; 4.67 A): 1 out of 1 assignment used, quality = 0.95: HA LEU 55 + HB3 ARG 79 OK 95 96 100 99 2.8-4.6 12329/1.8=82...(6) Violated in 0 structures by 0.00 A. Peak 12329 from cnoeabs.peaks (4.66, 1.60, 31.20 ppm; 4.52 A): 1 out of 1 assignment used, quality = 0.94: HA LEU 55 + HB2 ARG 79 OK 94 96 100 98 2.9-4.6 12328/1.8=75...(6) Violated in 1 structures by 0.00 A. Peak 12330 from cnoeabs.peaks (4.65, 3.07, 43.09 ppm; 4.37 A): 0 out of 2 assignments used, quality = 0.00: HA LEU 55 - HD2 ARG 79 far 5 94 5 - 2.7-6.9 HA LEU 55 - HD3 ARG 79 far 5 94 5 - 2.5-6.8 Violated in 19 structures by 0.87 A. Peak 12331 from cnoeabs.peaks (0.85, 2.74, 41.51 ppm; 5.34 A): 1 out of 5 assignments used, quality = 1.00: QD2 LEU 64 + HE2 LYS 82 OK 100 100 100 100 3.9-5.3 10940/3.0=78...(9) QG2 VAL 32 - HE2 LYS 40 far 0 29 0 - 6.7-8.8 QD1 LEU 57 - HE2 LYS 82 far 0 81 0 - 7.7-8.9 QD2 LEU 38 - HE2 LYS 40 far 0 22 0 - 8.6-10.2 QD1 LEU 38 - HE2 LYS 40 far 0 38 0 - 8.9-10.3 Violated in 0 structures by 0.00 A. Peak 12332 from cnoeabs.peaks (0.73, 2.74, 41.51 ppm; 6.25 A increased from 5.55 A): 1 out of 6 assignments used, quality = 1.00: QD1 LEU 64 + HE2 LYS 82 OK 100 100 100 100 5.1-6.0 2.1/12331=95...(12) HG3 ARG 81 - HE2 LYS 82 far 0 100 0 - 6.6-11.3 QG1 VAL 58 - HE2 LYS 82 far 0 96 0 - 7.7-8.2 QD1 LEU 6 - HE2 LYS 40 far 0 21 0 - 8.0-9.8 QD2 LEU 42 - HE2 LYS 40 far 0 24 0 - 9.6-11.2 QD2 LEU 14 - HE2 LYS 82 far 0 82 0 - 9.8-11.0 Violated in 0 structures by 0.00 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 91 100 100 91 2.1-4.4 ~9894=28, 10184/2.3=24...(13) HG3 GLU 17 + HB3 PRO 86 OK 83 91 100 91 2.0-3.7 ~9894=28, 10184/2.3=24...(14) HB2 ASP 11 - HB2 PRO 86 far 0 100 0 - 6.7-7.9 HG3 MET 21 - HB3 PRO 86 far 0 57 0 - 7.4-8.4 HG3 MET 21 - HB2 PRO 86 far 0 68 0 - 8.5-9.5 HB2 ASP 11 - HB3 PRO 86 far 0 92 0 - 8.5-9.6 HB3 MET 21 - HB3 PRO 86 far 0 55 0 - 8.8-9.3 HB3 MET 21 - HB2 PRO 86 far 0 65 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 12334 from cnoeabs.peaks (2.81, 2.12, 31.71 ppm; 6.02 A): 2 out of 2 assignments used, quality = 0.99: HE2 LYS 90 + HB3 PRO 86 OK 91 92 100 100 2.0-5.1 9907/10967=80...(16) HE2 LYS 90 + HB2 PRO 86 OK 84 100 85 99 3.6-6.7 10314/4.9=73...(15) Violated in 0 structures by 0.00 A. Peak 12335 from cnoeabs.peaks (2.96, 2.12, 31.71 ppm; 5.68 A): 2 out of 13 assignments used, quality = 0.95: HE3 LYS 90 + HB2 PRO 86 OK 78 90 90 97 5.0-6.7 1.8/12334=36...(15) HE3 LYS 90 + HB3 PRO 86 OK 76 78 100 98 3.5-5.1 1.8/12334=39...(17) HE3 LYS 13 - HB3 PRO 86 far 9 92 10 - 5.6-10.1 HE3 LYS 13 - HB2 PRO 86 lone 1 100 20 3 5.2-9.2 HB3 ASP 11 - HB2 PRO 86 far 0 65 0 - 6.0-6.7 HE2 LYS 13 - HB2 PRO 86 far 0 100 0 - 6.1-9.1 HE2 LYS 13 - HB3 PRO 86 far 0 92 0 - 6.6-10.1 HG2 MET 21 - HB3 PRO 86 far 0 82 0 - 6.7-8.0 HG2 MET 21 - HB2 PRO 86 far 0 94 0 - 7.8-9.2 HB3 ASP 11 - HB3 PRO 86 far 0 55 0 - 7.8-8.4 HB2 SER 9 - HB2 PRO 86 far 0 71 0 - 7.8-8.5 HB2 SER 9 - HB3 PRO 86 far 0 60 0 - 9.3-10.0 HE3 LYS 12 - HB2 PRO 86 far 0 100 0 - 9.4-13.5 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 3.3-4.6 12223/3.0=80...(19) HA TRP 92 - HG3 GLU 88 far 0 94 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 12337 from cnoeabs.peaks (4.80, 2.14, 36.78 ppm; 5.44 A increased from 5.12 A): 1 out of 2 assignments used, quality = 1.00: HA VAL 83 + HG2 GLU 88 OK 100 100 100 100 3.3-5.5 12336/1.8=87...(21) HA TRP 92 - HG2 GLU 88 far 0 94 0 - 7.6-9.1 Violated in 3 structures by 0.00 A. Peak 12338 from cnoeabs.peaks (3.83, 2.49, 36.23 ppm; 4.90 A): 1 out of 6 assignments used, quality = 0.84: HA ARG 19 + HG3 GLU 23 OK 84 96 100 87 4.3-4.9 787/10459=45, 8513=39...(6) HA ALA 22 - HG3 GLU 23 far 0 100 0 - 5.2-5.9 HA SER 97 - HG3 GLU 98 far 0 71 0 - 5.3-6.8 HA ALA 67 - HG3 GLU 63 far 0 39 0 - 8.4-9.1 HB3 SER 102 - HG3 GLU 98 far 0 67 0 - 8.9-15.0 HA ALA 22 - HG3 GLU 98 far 0 73 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 14501 from cnoeabs.peaks (5.14, 6.43, 132.25 ppm; 4.51 A): 3 out of 4 assignments used, quality = 1.00: * HA TYR 4 + QD TYR 4 OK 100 100 100 100 3.0-3.2 3.7=100 HA VAL 54 + QD TYR 4 OK 96 96 100 100 4.0-4.7 3.2/9224=70...(18) HA LEU 3 + QD TYR 4 OK 93 96 100 96 3.0-3.5 99/6042=69, 8062=28...(16) HA VAL 5 - QD TYR 4 far 0 63 0 - 5.7-5.9 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 3 assignments used, quality = 1.00: * HB2 TYR 4 + QD TYR 4 OK 100 100 100 100 2.4-2.6 2.5=100 HB2 GLU 48 - QD TYR 4 far 0 100 0 - 5.4-7.5 HB2 TYR 41 - QD TYR 4 far 0 88 0 - 5.6-6.2 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 2.3-2.4 2.5=100 HG3 GLU 48 - QD TYR 4 far 0 79 0 - 5.4-7.6 HG3 GLU 23 - QD TYR 4 far 0 73 0 - 9.7-10.5 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 2.2-2.4 3.7=100 HA GLU 44 - QD TYR 41 far 0 99 0 - 7.2-7.6 Violated in 0 structures by 0.00 A. Peak 14509 from cnoeabs.peaks (2.31, 6.83, 131.89 ppm; 4.69 A): 1 out of 4 assignments used, quality = 1.00: * HB2 TYR 41 + QD TYR 41 OK 100 100 100 100 2.6-2.7 2.5=100 HG3 GLU 43 - QD TYR 41 far 0 99 0 - 6.3-8.7 HG3 GLU 44 - QD TYR 41 far 0 59 0 - 6.9-7.4 HB2 TYR 4 - QD TYR 41 far 0 88 0 - 8.0-8.3 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 2.3-2.3 2.5=100 HD2 ARG 30 + QD TYR 41 OK 53 67 80 99 2.8-5.4 1.8/8710=39, ~8897=35...(18) HG3 MET 74 - QD TYR 41 far 0 96 0 - 9.5-11.7 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 1.9-2.1 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 2.3-2.5 2.5=100 HB3 PHE 45 + QD PHE 45 OK 91 91 100 100 2.7-2.8 2.5=100 HE2 LYS 47 - QD PHE 45 far 5 97 5 - 5.5-9.3 HE3 LYS 47 - QD PHE 45 far 0 97 0 - 6.4-9.2 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 2.3-2.5 2.5=100 HE2 LYS 47 - QD PHE 45 far 0 99 0 - 5.5-9.3 HE3 LYS 47 - QD PHE 45 far 0 99 0 - 6.4-9.2 Violated in 0 structures by 0.00 A. Peak 14518 from cnoeabs.peaks (6.66, 6.66, 129.63 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * QD PHE 45 + QD PHE 45 OK 99 99 - 100 Peak 14519 from cnoeabs.peaks (6.51, 6.66, 129.63 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 45 + QD PHE 45 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 14520 from cnoeabs.peaks (6.14, 6.66, 129.63 ppm; 6.25 A): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 45 + QD PHE 45 OK 100 100 100 100 3.8-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 14521 from cnoeabs.peaks (6.66, 6.51, 129.73 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 45 + QE PHE 45 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 14522 from cnoeabs.peaks (6.51, 6.51, 129.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 45 + QE PHE 45 OK 100 100 - 100 Peak 14523 from cnoeabs.peaks (6.14, 6.51, 129.73 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 45 + QE PHE 45 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 14524 from cnoeabs.peaks (6.66, 6.14, 127.52 ppm; 6.03 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 45 + HZ PHE 45 OK 100 100 100 100 3.8-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 14525 from cnoeabs.peaks (6.51, 6.14, 127.52 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 45 + HZ PHE 45 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 14526 from cnoeabs.peaks (6.14, 6.14, 127.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 45 + HZ PHE 45 OK 100 100 - 100 Peak 14527 from cnoeabs.peaks (4.82, 6.87, 127.01 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: * HA TRP 92 + HD1 TRP 92 OK 100 100 100 100 4.2-4.5 4.5=100 HA VAL 83 - HD1 TRP 92 far 0 89 0 - 5.1-5.5 Violated in 0 structures by 0.00 A. Peak 14528 from cnoeabs.peaks (3.10, 6.87, 127.01 ppm; 4.81 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TRP 92 + HD1 TRP 92 OK 100 100 100 100 2.5-2.6 3.9=100 HB2 PHE 96 - HD1 TRP 92 far 0 100 0 - 8.1-9.3 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 3.6-3.7 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 3.4-3.8 9934=100, 3.0/9935=93...(13) H ARG 91 + HD1 TRP 92 OK 58 59 100 98 4.5-5.1 7467/7466=85, 10981=41...(9) 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 90 91 100 100 4.5-5.1 7455/7466=86, 10981=73...(8) 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 8 75 50 21 4.4-5.6 2.4/14640=11...(3) HZ PHE 96 - HE3 TRP 92 far 0 100 0 - 8.4-9.7 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 2 assignments used, quality = 0.98: * HE3 TRP 92 + HZ3 TRP 92 OK 98 98 100 100 2.5-2.5 2.5=100 H ARG 91 - HZ3 TRP 92 far 0 56 0 - 8.9-9.7 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 - 8.9-9.7 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 - 8.7-9.8 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 ARG 91 - HH2 TRP 92 far 0 57 0 - 9.3-10.3 H ALA 89 - HH2 TRP 92 far 0 98 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 14556 from cnoeabs.peaks (10.29, 7.24, 124.65 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.99: HE1 TRP 92 + HH2 TRP 92 OK 99 99 100 100 5.0-5.0 5.0=100 Violated in 0 structures by 0.00 A. Peak 14557 from cnoeabs.peaks (7.06, 7.24, 124.65 ppm; 3.95 A): 1 out of 2 assignments used, quality = 0.99: * HZ3 TRP 92 + HH2 TRP 92 OK 99 99 100 100 2.4-2.4 2.4=100 QD PHE 96 - HH2 TRP 92 far 0 72 0 - 7.3-8.9 Violated in 0 structures by 0.00 A. Peak 14558 from cnoeabs.peaks (7.49, 7.24, 124.65 ppm; 3.89 A): 1 out of 2 assignments used, quality = 0.99: * HZ2 TRP 92 + HH2 TRP 92 OK 99 99 100 100 2.5-2.5 2.5=100 H ARG 91 - HH2 TRP 92 far 0 88 0 - 9.3-10.3 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 2.3-3.0 3.7=100 HA LEU 2 - QD PHE 96 far 0 71 0 - 7.9-9.5 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 5 assignments used, quality = 1.00: * HB2 PHE 96 + QD PHE 96 OK 100 100 100 100 2.3-2.4 2.4=100 HD3 ARG 79 + QD PHE 96 OK 83 85 100 98 3.2-5.2 9700=80, 10912/2.2=38...(9) HD2 ARG 79 + QD PHE 96 OK 41 82 50 100 3.8-6.0 1.8/9700=98, 3.0/8705=37...(9) HB2 TRP 92 - QD PHE 96 far 0 100 0 - 6.7-7.2 HB3 ASN 26 - QD PHE 96 far 0 73 0 - 9.0-10.7 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 2.4-2.6 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 2 assignments used, quality = 1.00: * QE PHE 96 + QD PHE 96 OK 100 100 100 100 2.2-2.2 2.2=100 HE ARG 91 - QD PHE 96 far 0 63 0 - 9.0-11.9 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 - 6.7-8.7 Violated in 0 structures by 0.00 A. Peak 14567 from cnoeabs.peaks (6.96, 6.96, 131.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 96 + QE PHE 96 OK 100 100 - 100 Peak 14568 from cnoeabs.peaks (7.06, 6.96, 131.40 ppm; 4.65 A): 2 out of 3 assignments used, quality = 1.00: * HZ PHE 96 + QE PHE 96 OK 100 100 100 100 2.2-2.2 2.2=100 QD PHE 96 + QE PHE 96 OK 72 72 100 100 2.2-2.2 2.2=100 HZ3 TRP 92 - QE PHE 96 far 0 100 0 - 6.7-8.7 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 5 assignments used, quality = 1.00: HG3 GLU 28 + QD TYR 4 OK 92 92 100 100 4.1-5.3 3.7/14579=53...(19) HG2 GLU 28 + QD TYR 4 OK 92 92 100 100 4.0-5.1 3.7/14579=53...(19) HB3 GLU 48 + QD TYR 4 OK 54 100 55 98 4.8-6.8 9177/14577=46, ~8130=33...(14) HG12 ILE 93 - QD TYR 4 far 0 100 0 - 9.0-9.8 HB3 GLU 43 - QD TYR 4 far 0 91 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 14573 from cnoeabs.peaks (1.70, 6.43, 132.25 ppm; 4.62 A): 2 out of 5 assignments used, quality = 1.00: HB2 LEU 2 + QD TYR 4 OK 100 100 100 100 3.5-4.1 8039=48, 1.8/8040=46...(28) HB ILE 52 + QD TYR 4 OK 52 81 65 100 4.4-5.2 ~8159=41, ~14597=40...(27) HB3 LYS 53 - QD TYR 4 far 5 98 5 - 4.7-5.9 HD3 LYS 47 - QD TYR 4 far 0 95 0 - 8.6-11.0 HD2 LYS 47 - QD TYR 4 far 0 94 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 14574 from cnoeabs.peaks (1.53, 6.43, 132.25 ppm; 4.88 A): 3 out of 10 assignments used, quality = 0.96: HG3 ARG 30 + QD TYR 4 OK 82 100 95 86 4.4-6.3 1.8/8702=41, ~8702=23...(11) HB3 GLU 28 + QD TYR 4 OK 63 63 100 100 2.8-3.5 8135/3.7=55, 1.8/8652=51...(17) HB2 LEU 3 + QD TYR 4 OK 38 82 50 92 5.0-5.3 4.4/6042=64, 3.0/8062=29...(8) HG LEU 6 - QD TYR 4 poor 20 100 20 - 5.0-5.6 HG LEU 2 - QD TYR 4 far 0 99 0 - 6.0-6.6 HD3 LYS 53 - QD TYR 4 far 0 84 0 - 7.4-8.4 HG12 ILE 56 - QD TYR 4 far 0 100 0 - 8.4-8.9 HG2 LYS 47 - QD TYR 4 far 0 68 0 - 8.5-9.7 HG3 ARG 79 - QD TYR 4 far 0 99 0 - 9.7-12.3 HB ILE 7 - QD TYR 4 far 0 100 0 - 9.8-10.3 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 3.8-4.1 8155/2.2=76...(23) HG LEU 3 + QD TYR 4 OK 89 94 100 94 5.4-5.8 6036/6042=73...(8) HG2 ARG 30 + QD TYR 4 OK 85 88 100 97 4.1-5.0 8702=47, 1.8/14574=43...(13) HB3 LEU 27 + QD TYR 4 OK 42 82 100 51 5.2-5.8 8185/6050=31, 4.4/8649=27 QB ALA 25 - QD TYR 4 far 0 90 0 - 8.1-8.6 HB3 LEU 42 - QD TYR 4 far 0 97 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 14576 from cnoeabs.peaks (0.75, 6.43, 132.25 ppm; 4.74 A increased from 4.21 A): 2 out of 12 assignments used, quality = 1.00: QG1 VAL 54 + QD TYR 4 OK 99 99 100 100 4.2-4.8 2.1/9224=90, 8147/2.5=84...(16) QG2 ILE 52 + QD TYR 4 OK 85 85 100 100 4.2-4.7 ~8159=44, ~14597=44...(27) QD2 LEU 27 - QD TYR 4 far 0 87 0 - 5.1-6.3 QD1 LEU 6 - QD TYR 4 far 0 95 0 - 5.4-5.8 QD1 LEU 27 - QD TYR 4 far 0 96 0 - 5.8-6.6 QG1 VAL 78 - QD TYR 4 far 0 99 0 - 6.1-6.8 QG1 VAL 5 - QD TYR 4 far 0 82 0 - 6.4-6.6 QD2 LEU 42 - QD TYR 4 far 0 98 0 - 6.4-6.8 QG2 ILE 93 - QD TYR 4 far 0 100 0 - 7.5-8.3 QG2 VAL 78 - QD TYR 4 far 0 73 0 - 8.1-8.8 HG13 ILE 56 - QD TYR 4 far 0 59 0 - 8.4-8.9 QD1 ILE 93 - QD TYR 4 far 0 96 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 14577 from cnoeabs.peaks (0.69, 6.43, 132.25 ppm; 4.37 A): 2 out of 9 assignments used, quality = 1.00: QD1 ILE 52 + QD TYR 4 OK 100 100 100 100 2.2-3.3 8159/2.2=70, 9148=49...(23) QG2 VAL 54 + QD TYR 4 OK 69 70 100 100 3.0-3.9 9224=59, ~8147=48...(21) QD2 LEU 6 - QD TYR 4 far 0 100 0 - 5.0-5.6 QG1 VAL 5 - QD TYR 4 far 0 61 0 - 6.4-6.6 QD1 LEU 29 - QD TYR 4 far 0 68 0 - 6.9-7.4 QD1 ILE 56 - QD TYR 4 far 0 93 0 - 8.0-8.5 QG2 VAL 78 - QD TYR 4 far 0 71 0 - 8.1-8.8 HG13 ILE 56 - QD TYR 4 far 0 84 0 - 8.4-8.9 QD1 LEU 42 - QD TYR 4 far 0 100 0 - 8.5-9.0 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 4.5-5.0 3.0/8652=52, 3.0/8653=49...(16) Violated in 0 structures by 0.00 A. Peak 14581 from cnoeabs.peaks (5.14, 6.45, 118.20 ppm; 6.02 A): 2 out of 4 assignments used, quality = 1.00: HA TYR 4 + QE TYR 4 OK 100 100 100 100 4.6-4.7 5.7=100 HA LEU 3 + QE TYR 4 OK 95 96 100 99 4.6-5.0 99/8126=67, 8062=46...(12) HA VAL 54 - QE TYR 4 far 14 94 15 - 6.2-6.8 HA VAL 5 - QE TYR 4 far 0 65 0 - 7.8-8.0 Violated in 0 structures by 0.00 A. Peak 14582 from cnoeabs.peaks (7.81, 6.43, 132.25 ppm; 6.33 A): 3 out of 4 assignments used, quality = 1.00: H GLU 28 + QD TYR 4 OK 99 99 100 100 4.0-4.5 8655/3.7=92...(12) H LEU 3 + QD TYR 4 OK 61 61 100 100 3.4-3.9 4.6/6042=88...(14) HE ARG 30 + QD TYR 4 OK 48 95 60 84 3.4-8.2 4.0/8702=45...(6) H TYR 41 - QD TYR 4 far 0 95 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 14583 from cnoeabs.peaks (8.35, 6.43, 132.25 ppm; 5.24 A): 1 out of 1 assignment used, quality = 0.97: H TYR 4 + QD TYR 4 OK 97 97 100 100 2.7-3.2 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 5.1-5.6 6462/14579=76...(8) H LYS 53 + QD TYR 4 OK 93 93 100 100 3.0-3.7 11098/6042=83...(21) H ILE 7 - QD TYR 4 far 0 99 0 - 8.2-8.8 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 3.4-3.8 4.8=100 H ASP 77 - QD TYR 4 far 0 85 0 - 8.5-9.2 H LEU 57 - QD TYR 4 far 0 96 0 - 10.0-10.5 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 4.4-5.0 8655/5.7=74, ~14579=57...(10) H LEU 3 + QE TYR 4 OK 61 61 100 100 3.4-4.0 5.0/8041=84, 5.0/8157=73...(12) HE ARG 30 + QE TYR 4 OK 53 94 70 80 3.3-9.0 ~8708=43, 4.0/8702=36...(5) H TYR 41 - QE TYR 4 far 0 94 0 - 9.6-10.3 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 = 0.94: HA PHE 45 + QE TYR 4 OK 94 99 100 94 4.3-5.0 8997/14597=92...(3) 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 3 assignments used, quality = 1.00: HB3 TYR 4 + QE TYR 4 OK 97 97 100 100 4.4-4.4 4.4=100 HG3 GLU 48 + QE TYR 4 OK 95 95 100 100 3.5-5.7 9043/8158=78...(11) HG3 MET 1 - QE TYR 4 far 0 82 0 - 7.6-8.9 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 4.4-4.5 4.4=100 HB2 GLU 48 + QE TYR 4 OK 95 95 100 100 4.2-6.4 9040/14597=74...(14) HB2 TYR 41 - QE TYR 4 far 0 73 0 - 6.6-7.4 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: HG3 GLU 28 + QE TYR 4 OK 99 100 100 99 2.7-4.3 3.0/8653=46, 3.0/8652=44...(17) HG2 GLU 28 + QE TYR 4 OK 99 100 100 99 2.5-4.3 3.0/8653=46, 3.0/8652=44...(17) HB3 GLU 48 + QE TYR 4 OK 92 95 100 97 3.8-5.6 9041/14597=69...(12) HB3 GLU 43 - QE TYR 4 far 0 100 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 14592 from cnoeabs.peaks (1.70, 6.45, 118.20 ppm; 4.64 A): 2 out of 5 assignments used, quality = 1.00: HB2 LEU 2 + QE TYR 4 OK 99 99 100 100 2.6-3.4 3.1/8041=72, 1.8/8155=61...(22) HB ILE 52 + QE TYR 4 OK 85 85 100 100 4.1-4.7 3.2/14597=65, 9142=45...(21) HB3 LYS 53 - QE TYR 4 far 0 98 0 - 6.5-7.8 HD3 LYS 47 - QE TYR 4 far 0 96 0 - 7.5-10.2 HD2 LYS 47 - QE TYR 4 far 0 96 0 - 8.5-9.9 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 6 assignments used, quality = 0.99: HG LEU 2 + QE TYR 4 OK 94 94 100 100 4.7-5.3 2.1/8041=97, 2.1/8157=83...(18) HB3 GLU 28 + QE TYR 4 OK 74 75 100 100 2.4-3.2 8135/5.7=51, 1.8/8652=46...(17) HG3 ARG 30 + QE TYR 4 OK 49 100 55 90 5.2-6.9 14574/2.2=39...(8) HB2 LEU 3 - QE TYR 4 far 0 90 0 - 5.8-6.2 HG LEU 6 - QE TYR 4 far 0 99 0 - 7.0-7.6 HD3 LYS 53 - QE TYR 4 far 0 91 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 14594 from cnoeabs.peaks (1.32, 6.45, 118.20 ppm; 5.15 A): 2 out of 7 assignments used, quality = 0.99: HB3 LEU 2 + QE TYR 4 OK 99 99 100 100 2.2-2.6 3.1/8041=83, 3.1/8157=67...(18) HG2 ARG 30 + QE TYR 4 OK 42 75 65 87 4.9-5.6 8702/2.2=29, 8702=28...(11) HB3 LEU 27 - QE TYR 4 far 0 92 0 - 6.2-6.9 HG LEU 3 - QE TYR 4 far 0 83 0 - 6.2-6.7 QB ALA 25 - QE TYR 4 far 0 96 0 - 9.0-9.5 HB3 LEU 42 - QE TYR 4 far 0 89 0 - 9.7-10.5 HG3 LYS 40 - QE TYR 4 far 0 69 0 - 9.9-10.7 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 3.1-4.2 2.1/14597=100, ~14698=62...(20) HB3 LEU 55 - QE TYR 4 far 0 95 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 14596 from cnoeabs.peaks (0.77, 6.45, 118.20 ppm; 4.12 A): 1 out of 10 assignments used, quality = 0.60: QD2 LEU 2 + QE TYR 4 OK 60 61 100 99 2.9-4.1 8041=51, 2.1/8157=51...(18) QG2 ILE 52 - QE TYR 4 far 0 99 0 - 4.6-5.1 QG1 VAL 54 - QE TYR 4 far 0 99 0 - 5.8-6.4 QD1 LEU 6 - QE TYR 4 far 0 100 0 - 6.7-7.2 QD1 LEU 27 - QE TYR 4 far 0 100 0 - 6.9-7.6 QD2 LEU 42 - QE TYR 4 far 0 100 0 - 7.4-8.0 QG1 VAL 78 - QE TYR 4 far 0 85 0 - 7.5-8.2 QD1 ILE 76 - QE TYR 4 far 0 76 0 - 7.8-8.8 QG2 ILE 93 - QE TYR 4 far 0 91 0 - 8.8-9.6 QD2 LEU 57 - QE TYR 4 far 0 85 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 14597 from cnoeabs.peaks (0.68, 6.45, 118.20 ppm; 4.42 A): 1 out of 8 assignments used, quality = 0.97: QD1 ILE 52 + QE TYR 4 OK 97 97 100 100 1.9-2.7 9148=48, 14577/2.2=43...(24) QG2 VAL 54 - QE TYR 4 poor 16 82 20 - 4.5-5.3 QD2 LEU 6 - QE TYR 4 far 0 100 0 - 6.4-7.1 QD2 LEU 29 - QE TYR 4 far 0 59 0 - 7.8-8.2 QD1 LEU 29 - QE TYR 4 far 0 80 0 - 8.4-8.8 QD1 LEU 42 - QE TYR 4 far 0 99 0 - 9.5-10.1 QD1 ILE 56 - QE TYR 4 far 0 83 0 - 9.5-10.0 QG2 VAL 78 - QE TYR 4 far 0 57 0 - 9.6-10.3 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 3.0-4.5 2.1/8041=98, 8042=74...(22) QG2 ILE 76 - QE TYR 4 far 0 100 0 - 6.9-7.6 QD1 LEU 38 - QE TYR 4 far 0 90 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 14599 from cnoeabs.peaks (0.87, 6.43, 132.25 ppm; 5.89 A): 1 out of 4 assignments used, quality = 0.96: QD1 LEU 2 + QD TYR 4 OK 96 96 100 100 4.4-5.3 ~8158=83, ~8041=82...(26) QG2 ILE 76 - QD TYR 4 far 10 96 10 - 6.1-6.7 QG2 VAL 32 - QD TYR 4 far 0 65 0 - 7.6-8.1 QD1 LEU 38 - QD TYR 4 far 0 100 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 14600 from cnoeabs.peaks (7.64, 6.83, 131.89 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.98: H LYS 40 + QD TYR 41 OK 98 98 100 100 4.5-4.9 6644/6657=97...(18) 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 3 assignments used, quality = 1.00: H TYR 41 + QD TYR 41 OK 100 100 100 100 2.9-3.2 4.6=100 HE ARG 30 + QD TYR 41 OK 63 67 95 98 2.5-5.5 2.9/8710=37, ~8897=36...(14) H SER 9 - QD TYR 41 far 0 97 0 - 9.4-9.7 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 2.1-2.6 1625/2.5=62, 8860=50...(19) HA LYS 40 - QD TYR 41 far 0 99 0 - 5.5-5.8 HA GLU 35 - QD TYR 41 far 0 73 0 - 6.9-7.5 HA GLU 43 - QD TYR 41 far 0 80 0 - 8.0-8.3 HA ALA 67 - QD TYR 41 far 0 100 0 - 8.0-8.7 HA ALA 71 - QD TYR 41 far 0 99 0 - 9.3-10.0 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 4.1-4.4 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 4.1-4.4 2.2/14606=81, ~8890=77...(13) QE TYR 4 - QD TYR 41 far 3 61 5 - 6.5-7.6 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 3.8-4.6 8215/14618=84...(13) Violated in 0 structures by 0.00 A. Peak 14607 from cnoeabs.peaks (7.82, 6.86, 118.20 ppm; 6.48 A): 2 out of 3 assignments used, quality = 1.00: H TYR 41 + QE TYR 41 OK 99 99 100 100 4.3-4.6 6657/2.2=99, 6.6=96...(22) HE ARG 30 + QE TYR 41 OK 84 84 100 100 2.6-5.4 2.9/8897=78, 5.0/8906=68...(13) H SER 9 - QE TYR 41 far 0 100 0 - 8.3-8.5 Violated in 0 structures by 0.00 A. Peak 14608 from cnoeabs.peaks (4.55, 6.86, 118.20 ppm; 6.50 A): 1 out of 2 assignments used, quality = 0.91: HA LYS 33 + QE TYR 41 OK 91 98 100 93 6.6-6.6 10519/14629=75...(4) HA PHE 45 - QE TYR 41 far 0 84 0 - 9.6-10.4 Violated in 20 structures by 0.09 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 2.3-2.4 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 99 4.4-4.5 1876/2.2=78, 5.7=75...(8) HA LEU 38 + QE TYR 41 OK 81 82 100 99 3.8-4.2 10162/8910=53...(16) HA LYS 40 - QE TYR 41 far 0 65 0 - 6.5-7.0 HA GLU 35 - QE TYR 41 far 0 97 0 - 7.3-7.7 HA GLU 44 - QE TYR 41 far 0 65 0 - 9.1-9.5 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 4.5-5.4 3.0/14602=98...(25) HG3 GLU 37 + QD TYR 41 OK 85 85 100 100 5.3-6.4 ~8813=90, 8815/2.2=79...(22) HB3 GLU 43 + QD TYR 41 OK 64 91 95 74 6.3-6.7 6707/8984=72, 12252/8959=2 HG3 GLU 28 - QD TYR 41 far 0 90 0 - 7.4-10.5 HG2 GLU 28 - QD TYR 41 far 0 90 0 - 7.8-10.2 HB3 GLU 35 - QD TYR 41 far 0 100 0 - 9.1-9.8 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 8 assignments used, quality = 1.00: HB2 GLU 37 + QD TYR 41 OK 100 100 100 100 3.9-4.8 8836/14619=68, ~8813=59...(21) HB2 GLU 44 + QD TYR 41 OK 86 89 100 96 4.6-4.9 1880/1876=72, 8988=57...(6) HB3 GLU 44 + QD TYR 41 OK 68 89 90 85 5.2-5.9 1.8/8988=59, 3.9/8984=56...(5) HB VAL 32 + QD TYR 41 OK 61 61 100 100 4.7-4.8 2.1/14619=88, ~8910=77...(22) QE MET 74 - QD TYR 41 far 0 88 0 - 6.6-7.0 HB2 GLU 35 - QD TYR 41 far 0 78 0 - 9.3-9.7 HB2 ARG 46 - QD TYR 41 far 0 100 0 - 9.3-11.2 HB3 ARG 46 - QD TYR 41 far 0 93 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 14613 from cnoeabs.peaks (1.64, 6.83, 131.89 ppm; 6.50 A): 3 out of 7 assignments used, quality = 1.00: HB2 LYS 40 + QD TYR 41 OK 99 99 100 100 4.2-5.1 6646/6657=98...(22) HB3 LEU 6 + QD TYR 41 OK 98 98 100 100 4.2-4.8 3.1/8210=98...(19) HB2 ARG 30 + QD TYR 41 OK 71 71 100 100 3.5-3.9 8717/14618=55...(18) HD2 LYS 39 - QD TYR 41 far 0 94 0 - 8.9-9.5 HB3 LEU 29 - QD TYR 41 far 0 57 0 - 9.3-9.8 HG3 LYS 47 - QD TYR 41 far 0 97 0 - 9.5-11.3 HD3 LYS 39 - QD TYR 41 far 0 100 0 - 9.7-10.0 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 8 assignments used, quality = 1.00: HB2 LEU 38 + QD TYR 41 OK 99 99 100 100 4.9-5.5 3.0/14602=98...(24) HG LEU 38 + QD TYR 41 OK 98 98 100 100 5.6-6.0 2.1/12065=99...(14) HD2 LYS 40 + QD TYR 41 OK 94 94 100 100 4.8-6.0 3.0/8865=66...(24) HD3 LYS 40 + QD TYR 41 OK 93 94 100 100 3.6-4.8 3.0/8865=66...(24) HG3 LYS 39 - QD TYR 41 far 0 100 0 - 7.7-8.6 QB ALA 71 - QD TYR 41 far 0 63 0 - 7.7-8.2 HG LEU 29 - QD TYR 41 far 0 98 0 - 8.0-8.4 QB ALA 22 - QD TYR 41 far 0 98 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 14615 from cnoeabs.peaks (1.34, 6.83, 131.89 ppm; 6.50 A): 3 out of 7 assignments used, quality = 1.00: HG3 LYS 40 + QD TYR 41 OK 94 94 100 100 2.8-3.6 6649/6657=86...(21) HG12 ILE 8 + QD TYR 41 OK 82 90 95 95 6.1-6.8 10336/14619=85...(6) HB3 ARG 30 + QD TYR 41 OK 78 78 100 100 3.7-4.5 ~8906=79, ~14624=77...(18) HB3 LEU 42 - QD TYR 41 far 0 59 0 - 7.2-7.3 QB ALA 67 - QD TYR 41 far 0 100 0 - 7.2-7.7 HG2 LYS 39 - QD TYR 41 far 0 100 0 - 7.9-8.5 HB2 LEU 70 - QD TYR 41 far 0 82 0 - 8.3-9.3 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 3.1-5.1 6648/6657=91...(23) HB2 LEU 6 + QD TYR 41 OK 82 82 100 100 5.3-5.9 3.1/8210=98...(17) QG2 THR 31 - QD TYR 41 far 15 98 15 - 6.8-6.9 QG2 THR 34 - QD TYR 41 far 0 89 0 - 7.8-8.0 HB2 LEU 29 - QD TYR 41 far 0 99 0 - 9.4-10.0 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 10 assignments used, quality = 1.00: QD2 LEU 38 + QD TYR 41 OK 98 99 100 98 2.9-3.3 2.1/12065=54...(23) QG2 VAL 32 + QD TYR 41 OK 95 95 100 100 1.9-2.0 8910/2.2=74...(29) QD1 LEU 70 - QD TYR 41 far 0 100 0 - 6.5-7.6 QG2 ILE 8 - QD TYR 41 far 0 78 0 - 6.7-7.7 QG2 ILE 7 - QD TYR 41 far 0 94 0 - 6.8-7.1 QD1 ILE 76 - QD TYR 41 far 0 96 0 - 7.4-7.6 QD2 LEU 70 - QD TYR 41 far 0 99 0 - 7.9-8.7 QD2 LEU 57 - QD TYR 41 far 0 91 0 - 8.8-9.8 QG2 ILE 15 - QD TYR 41 far 0 100 0 - 8.8-9.2 QG2 ILE 52 - QD TYR 41 far 0 63 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 14618 from cnoeabs.peaks (0.69, 6.83, 131.89 ppm; 4.75 A): 1 out of 11 assignments used, quality = 1.00: QD2 LEU 6 + QD TYR 41 OK 100 100 100 100 2.0-2.6 2.1/8210=86, 8874/2.5=81...(29) QD1 ILE 8 - QD TYR 41 far 0 94 0 - 5.5-6.0 QD1 LEU 42 - QD TYR 41 far 0 100 0 - 5.6-5.9 QD1 ILE 56 - QD TYR 41 far 0 96 0 - 6.2-6.6 HG13 ILE 56 - QD TYR 41 far 0 89 0 - 6.3-7.0 QG2 VAL 54 - QD TYR 41 far 0 61 0 - 6.3-6.8 QD1 ILE 52 - QD TYR 41 far 0 100 0 - 7.4-8.1 QG1 VAL 5 - QD TYR 41 far 0 69 0 - 7.7-8.2 QG1 VAL 58 - QD TYR 41 far 0 80 0 - 8.0-8.5 QG2 VAL 78 - QD TYR 41 far 0 78 0 - 8.3-8.9 QD1 LEU 29 - QD TYR 41 far 0 59 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 14619 from cnoeabs.peaks (0.91, 6.83, 131.89 ppm; 4.94 A): 1 out of 5 assignments used, quality = 1.00: QG1 VAL 32 + QD TYR 41 OK 100 100 100 100 3.4-3.7 14629/2.2=77, ~8910=66...(32) HG13 ILE 8 - QD TYR 41 far 0 85 0 - 6.4-7.4 QG2 ILE 76 - QD TYR 41 far 0 78 0 - 8.2-8.5 QG2 VAL 5 - QD TYR 41 far 0 67 0 - 8.7-9.1 HG13 ILE 7 - QD TYR 41 far 0 93 0 - 9.9-10.9 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 4.4-4.4 4.4=100 HD2 ARG 30 + QE TYR 41 OK 77 77 100 100 2.4-5.1 1.8/8897=63, 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 3.7-4.5 1.8/8815=100, 8813=76...(20) HB2 TYR 41 + QE TYR 41 OK 65 65 100 100 4.5-4.5 4.4=100 HB2 TYR 4 - QE TYR 41 far 0 97 0 - 9.6-10.0 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 = 1.00: HG3 GLU 37 + QE TYR 41 OK 92 92 100 100 3.4-5.0 8815=88, 1.8/8813=82...(18) HB3 LEU 38 + QE TYR 41 OK 85 95 90 100 5.2-6.7 3.0/8901=63, ~14602=56...(15) HB3 GLU 37 + QE TYR 41 OK 65 65 100 100 2.0-2.4 3.0/8815=74, 3.0/8813=71...(21) HG3 GLU 28 - QE TYR 41 far 0 84 0 - 7.6-11.2 HB3 GLU 43 - QE TYR 41 far 0 85 0 - 8.0-8.3 HG2 GLU 28 - QE TYR 41 far 0 84 0 - 8.4-10.9 HB3 GLU 35 - QE TYR 41 far 0 99 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 14623 from cnoeabs.peaks (1.97, 6.86, 118.20 ppm; 6.49 A): 2 out of 6 assignments used, quality = 1.00: HB2 GLU 37 + QE TYR 41 OK 99 99 100 100 2.7-3.7 3.0/8815=93...(17) HB VAL 32 + QE TYR 41 OK 79 79 100 100 4.2-4.5 2.1/8910=100...(16) HB2 GLU 44 - QE TYR 41 poor 18 75 30 82 6.6-7.0 8988/2.2=44, 1881/5.7=43...(5) HB3 GLU 44 - QE TYR 41 far 0 75 0 - 7.1-7.6 QE MET 74 - QE TYR 41 far 0 73 0 - 8.1-8.5 HB2 GLU 35 - QE TYR 41 far 0 61 0 - 9.5-9.7 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 3.1-3.9 8717/8911=67...(16) HB3 LEU 29 - QE TYR 41 far 0 100 0 - 9.0-9.8 HG2 ARG 19 - QE TYR 41 far 0 100 0 - 9.3-11.1 HB3 GLU 28 - QE TYR 41 far 0 82 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 14625 from cnoeabs.peaks (1.48, 6.86, 118.20 ppm; 6.50 A): 4 out of 6 assignments used, quality = 1.00: HD3 LYS 40 + QE TYR 41 OK 93 93 100 100 2.5-4.3 ~8865=50, 3.0/8908=44...(23) HD2 LYS 40 + QE TYR 41 OK 92 92 100 100 4.2-5.7 ~8865=50, 3.0/8908=44...(23) HG3 LYS 33 + QE TYR 41 OK 86 92 100 94 5.6-5.9 3.9/14608=67...(3) HB2 LEU 38 + QE TYR 41 OK 79 79 100 100 5.5-6.6 3.0/8901=86, ~14602=78...(15) HG LEU 38 - QE TYR 41 far 0 85 0 - 6.9-7.2 HB ILE 7 - QE TYR 41 far 0 61 0 - 8.7-9.0 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 3.3-4.2 ~8865=59, 10586/5.7=54...(20) HB3 ARG 30 + QE TYR 41 OK 69 69 100 100 4.2-5.2 1.8/8906=97, 3.6/8897=72...(16) HG12 ILE 8 + QE TYR 41 OK 69 84 85 97 5.9-7.0 10336/14629=87...(6) QB ALA 67 - QE TYR 41 far 0 100 0 - 8.1-8.7 HB3 LEU 42 - QE TYR 41 far 0 69 0 - 9.2-9.4 HG2 LYS 39 - QE TYR 41 far 0 99 0 - 9.3-10.0 HB2 LEU 70 - QE TYR 41 far 0 73 0 - 9.8-10.8 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 1.9-2.2 2.1/14629=55...(25) QD2 LEU 38 + QE TYR 41 OK 85 100 95 90 4.2-4.5 ~12065=36, 14617/2.2=33...(15) QD1 LEU 38 - QE TYR 41 far 0 73 0 - 5.6-5.9 QG2 ILE 7 - QE TYR 41 far 0 77 0 - 6.2-6.5 QD1 LEU 70 - QE TYR 41 far 0 97 0 - 7.4-8.5 QG2 ILE 15 - QE TYR 41 far 0 93 0 - 7.7-8.2 QD2 LEU 70 - QE TYR 41 far 0 91 0 - 8.7-9.8 QD1 ILE 76 - QE TYR 41 far 0 80 0 - 9.2-9.4 QD2 LEU 57 - QE TYR 41 far 0 71 0 - 9.4-10.6 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 11 assignments used, quality = 1.00: QD2 LEU 6 + QE TYR 41 OK 100 100 100 100 3.1-3.4 14618/2.2=86, ~8210=69...(25) QD1 ILE 8 - QE TYR 41 far 0 93 0 - 5.7-6.4 QD1 LEU 42 - QE TYR 41 far 0 100 0 - 7.3-7.5 QD1 ILE 56 - QE TYR 41 far 0 95 0 - 7.7-8.1 HG13 ILE 56 - QE TYR 41 far 0 87 0 - 7.9-8.5 QG2 VAL 54 - QE TYR 41 far 0 65 0 - 7.9-8.5 QG1 VAL 5 - QE TYR 41 far 0 65 0 - 8.2-8.7 QD1 LEU 29 - QE TYR 41 far 0 63 0 - 8.3-8.8 QG1 VAL 58 - QE TYR 41 far 0 77 0 - 8.3-8.9 QD1 ILE 52 - QE TYR 41 far 0 100 0 - 9.0-9.7 QG2 VAL 78 - QE TYR 41 far 0 75 0 - 10.0-10.5 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 4 assignments used, quality = 1.00: QG1 VAL 32 + QE TYR 41 OK 100 100 100 100 3.1-3.3 2.1/8910=93...(27) HG13 ILE 8 - QE TYR 41 far 0 92 0 - 6.0-7.6 QG2 VAL 5 - QE TYR 41 far 0 57 0 - 9.4-9.9 HG13 ILE 7 - QE TYR 41 far 0 97 0 - 9.4-10.5 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 4 assignments used, quality = 1.00: HA ALA 89 + HD1 TRP 92 OK 100 100 100 100 2.3-2.9 9935=100, 9824/9796=89...(14) HA ARG 91 - HD1 TRP 92 far 0 98 0 - 6.2-6.6 HB2 SER 85 - HD1 TRP 92 far 0 100 0 - 7.2-8.3 HA LYS 94 - HD1 TRP 92 far 0 71 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 14631 from cnoeabs.peaks (2.10, 6.87, 127.01 ppm; 5.65 A): 3 out of 6 assignments used, quality = 1.00: HB VAL 83 + HD1 TRP 92 OK 99 99 100 100 3.9-4.3 2.1/9796=100...(15) HB3 GLU 88 + HD1 TRP 92 OK 82 82 100 100 2.4-3.1 1.8/12224=81, ~9974=73...(16) HG2 GLU 88 + HD1 TRP 92 OK 63 63 100 100 4.4-5.8 3.0/12224=70...(11) QE MET 21 - HD1 TRP 92 far 0 100 0 - 8.0-8.9 HB3 PRO 86 - HD1 TRP 92 far 0 100 0 - 8.8-9.1 HB2 PRO 86 - HD1 TRP 92 far 0 96 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 14632 from cnoeabs.peaks (1.81, 6.87, 127.01 ppm; 6.50 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLU 88 + HD1 TRP 92 OK 100 100 100 100 3.0-3.8 12224=100, 9813/9796=100...(15) HB3 LEU 57 + HD1 TRP 92 OK 94 94 100 100 5.9-6.6 3.1/9342=94, ~9999=68...(9) HB2 LYS 90 - HD1 TRP 92 poor 20 100 20 - 6.7-7.0 HB ILE 93 - HD1 TRP 92 far 0 100 0 - 7.1-7.5 HB3 LYS 90 - HD1 TRP 92 far 0 81 0 - 7.8-8.1 Violated in 0 structures by 0.00 A. Peak 14633 from cnoeabs.peaks (1.47, 6.87, 127.01 ppm; 6.50 A): 3 out of 4 assignments used, quality = 1.00: HB2 ARG 91 + HD1 TRP 92 OK 95 97 100 98 5.8-6.3 4.3/7466=91...(3) HG LEU 57 + HD1 TRP 92 OK 79 79 100 100 4.1-4.8 2.1/9342=96...(7) HG3 ARG 91 + HD1 TRP 92 OK 76 92 90 93 5.2-7.0 4061/7466=78...(3) QB ALA 22 - HD1 TRP 92 far 0 63 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 14634 from cnoeabs.peaks (1.32, 6.87, 127.01 ppm; 6.50 A): 1 out of 5 assignments used, quality = 0.91: QB ALA 89 + HD1 TRP 92 OK 91 91 100 100 3.9-4.3 2.1/9935=100...(10) HG2 LYS 90 - HD1 TRP 92 far 0 75 0 - 7.1-7.5 HG2 LYS 94 - HD1 TRP 92 far 0 91 0 - 7.2-10.0 HG LEU 14 - HD1 TRP 92 far 0 73 0 - 7.7-8.2 HB2 LYS 82 - HD1 TRP 92 far 0 85 0 - 8.8-9.4 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 1.9-2.0 9796=95, 9998/2.6=64...(20) QG2 VAL 83 + HD1 TRP 92 OK 73 73 100 100 3.6-4.0 2.1/9796=83, 9782=44...(19) HG LEU 55 - HD1 TRP 92 far 0 75 0 - 6.3-7.2 HB3 LEU 55 - HD1 TRP 92 far 0 73 0 - 8.0-9.2 QG2 THR 80 - HD1 TRP 92 far 0 96 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 14636 from cnoeabs.peaks (0.81, 6.87, 127.01 ppm; 4.59 A): 2 out of 6 assignments used, quality = 0.99: QD2 LEU 57 + HD1 TRP 92 OK 92 98 95 98 4.2-5.0 2.1/9342=80, ~9999=44...(11) QD1 LEU 57 + HD1 TRP 92 OK 91 91 100 100 2.2-2.7 9808/9796=84, 9342=83...(19) QD1 ILE 93 - HD1 TRP 92 far 0 63 0 - 5.1-6.6 QG2 ILE 7 - HD1 TRP 92 far 0 99 0 - 9.1-9.7 QD2 LEU 103 - HD1 TRP 92 far 0 92 0 - 9.3-20.3 QD1 LEU 27 - HD1 TRP 92 far 0 61 0 - 9.7-10.3 Violated in 0 structures by 0.00 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 5.4-6.2 9255/3.9=89, 9276/5.1=68...(9) HG2 ARG 81 + HD1 TRP 92 OK 30 100 30 99 3.7-7.6 ~10001=70, 12215/3.9=68...(8) Violated in 0 structures by 0.00 A. Peak 14638 from cnoeabs.peaks (4.80, 7.43, 120.39 ppm; 4.37 A): 1 out of 2 assignments used, quality = 0.89: HA TRP 92 + HE3 TRP 92 OK 89 92 100 97 2.3-2.6 4.8=74, 14659/2.5=52...(7) HA VAL 83 - HE3 TRP 92 far 0 100 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 14639 from cnoeabs.peaks (3.17, 7.43, 120.39 ppm; 5.91 A): 1 out of 1 assignment used, quality = 0.85: HB3 TRP 92 + HE3 TRP 92 OK 85 85 100 100 2.8-3.0 4.2=100 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 4 assignments used, quality = 0.96: HB2 TRP 92 + HE3 TRP 92 OK 95 95 100 100 4.2-4.2 4.2=100 HB2 PHE 96 + HE3 TRP 92 OK 32 96 90 36 5.0-6.3 9254/9276=25...(3) HD3 ARG 79 - HE3 TRP 92 far 0 99 0 - 6.3-8.5 HD2 ARG 79 - HE3 TRP 92 far 0 98 0 - 7.3-8.7 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 2 assignments used, quality = 1.00: HB3 GLU 95 + HE3 TRP 92 OK 100 100 100 100 3.6-5.3 1.8/12282=93...(4) HG2 GLU 88 - HE3 TRP 92 far 0 90 0 - 8.3-10.3 Violated in 0 structures by 0.00 A. Peak 14642 from cnoeabs.peaks (0.98, 7.43, 120.39 ppm; 6.10 A): 2 out of 5 assignments used, quality = 0.96: HG LEU 55 + HE3 TRP 92 OK 82 94 90 97 4.9-6.8 2.1/9276=90...(5) QG1 VAL 83 + HE3 TRP 92 OK 80 81 100 100 5.6-5.8 10002/2.5=70...(7) QG2 VAL 5 - HE3 TRP 92 far 0 65 0 - 6.6-7.8 QG2 VAL 83 - HE3 TRP 92 far 0 93 0 - 7.1-7.6 QG2 THR 80 - HE3 TRP 92 far 0 100 0 - 8.7-9.6 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 3 assignments used, quality = 1.00: QD1 LEU 57 + HE3 TRP 92 OK 97 97 100 100 4.3-5.1 2.1/9343=74, 9357/4.2=66...(14) QD2 LEU 57 + HE3 TRP 92 OK 93 94 100 99 4.0-5.3 9343=83, 9272/9276=57...(12) QD2 LEU 103 - HE3 TRP 92 far 5 98 5 - 5.3-16.5 Violated in 0 structures by 0.00 A. Peak 14644 from cnoeabs.peaks (0.44, 7.43, 120.39 ppm; 6.50 A): 2 out of 3 assignments used, quality = 1.00: QD1 LEU 55 + HE3 TRP 92 OK 100 100 100 100 2.9-4.1 9276=97, 9255/4.2=88...(13) HG2 ARG 81 + HE3 TRP 92 OK 96 99 100 98 4.3-5.8 12215/4.2=65, ~14661=63...(8) QD1 LEU 3 - HE3 TRP 92 far 0 85 0 - 9.2-10.6 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 3.2-3.4 7466=100, 7464/3.9=85...(13) H ASP 87 - HD1 TRP 92 far 0 100 0 - 7.6-7.9 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 3.5-4.7 99/8120=98, 8061/2.2=88...(17) HA VAL 5 + HZ PHE 96 OK 94 95 100 99 5.3-6.0 ~8170=82, 8164/9292=69...(9) HA TYR 4 + HZ PHE 96 OK 85 85 100 100 5.5-6.7 3.0/8120=99, ~8119=81...(4) HA VAL 54 + HZ PHE 96 OK 57 57 100 100 3.2-3.9 3.0/9219=93, 3.6/9292=76...(11) Violated in 0 structures by 0.00 A. Peak 14647 from cnoeabs.peaks (1.84, 7.06, 130.85 ppm; 6.50 A): 1 out of 4 assignments used, quality = 0.99: HB2 LYS 53 + HZ PHE 96 OK 99 99 100 100 2.0-3.1 9206/2.2=100...(18) HB VAL 5 - HZ PHE 96 far 0 93 0 - 7.1-8.1 HB2 GLU 104 - HZ PHE 96 far 0 63 0 - 8.1-16.1 HB3 GLU 104 - HZ PHE 96 far 0 82 0 - 9.4-17.1 Violated in 0 structures by 0.00 A. Peak 14648 from cnoeabs.peaks (1.54, 7.06, 130.85 ppm; 6.50 A): 3 out of 9 assignments used, quality = 1.00: HD3 LYS 53 + HZ PHE 96 OK 96 96 100 100 3.4-4.3 9214/2.2=95...(18) HB2 LEU 3 + HZ PHE 96 OK 96 96 100 100 5.2-6.5 8066/2.2=97...(17) HG2 ARG 79 + HZ PHE 96 OK 79 98 95 84 5.7-6.9 8705/3.8=46, ~10912=41...(6) HG3 ARG 79 - HZ PHE 96 poor 20 98 20 - 5.9-7.7 HG12 ILE 56 - HZ PHE 96 far 5 97 5 - 6.8-7.8 HG LEU 6 - HZ PHE 96 far 0 93 0 - 8.2-9.0 HB3 LEU 103 - HZ PHE 96 far 0 91 0 - 8.4-15.9 HB3 GLU 28 - HZ PHE 96 far 0 87 0 - 8.8-10.5 HG LEU 2 - HZ PHE 96 far 0 81 0 - 9.2-10.7 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 2.1-3.2 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 4.0-4.9 3.0/8119=99...(8) HA LEU 3 + QE PHE 96 OK 98 98 100 100 2.6-4.0 8061=98, 3.0/8068=97...(20) HA VAL 54 + QE PHE 96 OK 90 90 100 100 3.3-4.6 9221/2.2=87, 9220=87...(10) HA VAL 5 + QE PHE 96 OK 72 72 100 100 4.4-5.1 3.2/8170=97, ~8169=83...(15) HA ILE 7 - QE PHE 96 far 0 99 0 - 9.9-10.4 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 4.4-4.8 5.6=100 HA PHE 45 - QE PHE 96 far 0 95 0 - 9.5-10.2 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 5 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 92 100 100 2.1-4.8 9700/2.2=90, 10912=48...(12) HD2 ARG 79 + QE PHE 96 OK 89 90 100 100 2.5-5.5 ~9700=95, 1.8/10912=53...(13) HB2 TRP 92 - QE PHE 96 far 0 99 0 - 8.3-8.9 HB3 ASN 26 - QE PHE 96 far 0 83 0 - 9.0-11.3 Violated in 0 structures by 0.00 A. Peak 14655 from cnoeabs.peaks (4.69, 7.03, 131.42 ppm; 6.50 A): 3 out of 3 assignments used, quality = 0.99: HA LEU 55 + QD PHE 96 OK 93 93 100 100 4.4-5.2 4.0/9284=94...(13) HA ARG 79 + QD PHE 96 OK 75 88 90 94 5.7-7.8 5.3/9700=80, 4.1/8705=44...(4) HA LEU 27 + QD PHE 96 OK 22 63 35 100 6.4-7.3 4.0/8645=93, 4.0/8647=87...(5) Violated in 0 structures by 0.00 A. Peak 14656 from cnoeabs.peaks (8.21, 7.03, 131.42 ppm; 5.80 A): 2 out of 4 assignments used, quality = 1.00: H PHE 96 + QD PHE 96 OK 100 100 100 100 4.1-4.2 4.5=100 H SER 97 + QD PHE 96 OK 100 100 100 100 3.0-4.2 4.5=100 H GLU 104 - QD PHE 96 far 0 100 0 - 6.9-13.5 H LEU 27 - QD PHE 96 far 0 75 0 - 7.0-7.9 Violated in 0 structures by 0.00 A. Peak 14657 from cnoeabs.peaks (8.20, 6.96, 131.40 ppm; 6.50 A): 2 out of 3 assignments used, quality = 1.00: H PHE 96 + QE PHE 96 OK 96 97 100 100 6.1-6.2 6.5=100 H SER 97 + QE PHE 96 OK 94 94 100 100 5.2-6.2 7573/2.2=93, 7571/4.4=87...(8) H GLU 104 - QE PHE 96 far 0 94 0 - 6.8-12.7 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 = 0.55: HA TRP 92 + HH2 TRP 92 OK 55 57 100 97 5.9-6.1 14659/2.4=80...(3) HA VAL 83 - HH2 TRP 92 far 0 92 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 14659 from cnoeabs.peaks (4.80, 7.06, 122.12 ppm; 5.23 A): 1 out of 2 assignments used, quality = 0.86: HA TRP 92 + HZ3 TRP 92 OK 86 88 100 98 4.5-4.7 14638/2.5=89...(4) HA VAL 83 - HZ3 TRP 92 far 0 98 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 14660 from cnoeabs.peaks (2.11, 7.06, 122.12 ppm; 6.50 A): 0 out of 4 assignments used, quality = 0.00: HB3 GLU 88 - HZ3 TRP 92 far 0 69 0 - 7.7-8.5 HG2 GLU 88 - HZ3 TRP 92 far 0 69 0 - 8.9-11.5 HG3 GLU 104 - HZ3 TRP 92 far 0 95 0 - 9.0-23.8 HB VAL 83 - HZ3 TRP 92 far 0 98 0 - 9.9-10.2 Violated in 20 structures by 1.04 A. Peak 14661 from cnoeabs.peaks (0.96, 7.06, 122.12 ppm; 5.73 A increased from 5.40 A): 1 out of 5 assignments used, quality = 0.61: HB2 ARG 81 + HZ3 TRP 92 OK 61 71 100 85 4.8-5.8 14664/2.4=56...(8) HG LEU 55 - HZ3 TRP 92 far 0 98 0 - 6.5-8.6 QG2 VAL 83 - HZ3 TRP 92 far 0 98 0 - 8.2-8.7 QG2 VAL 5 - HZ3 TRP 92 far 0 91 0 - 8.4-9.7 QG2 THR 80 - HZ3 TRP 92 far 0 91 0 - 8.7-10.0 Violated in 1 structures by 0.00 A. Peak 14662 from cnoeabs.peaks (0.80, 7.06, 122.12 ppm; 6.50 A increased from 5.80 A): 2 out of 5 assignments used, quality = 0.99: QD2 LEU 57 + HZ3 TRP 92 OK 92 96 95 100 5.2-6.8 9343/2.5=94, ~14643=40...(11) QD1 LEU 57 + HZ3 TRP 92 OK 84 84 100 100 5.6-6.4 ~9343=76, 9808/9795=72...(14) QD2 LEU 103 - HZ3 TRP 92 far 4 85 5 - 3.9-16.7 QD1 ILE 93 - HZ3 TRP 92 far 0 64 0 - 8.8-9.7 QD1 LEU 27 - HZ3 TRP 92 far 0 62 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 14663 from cnoeabs.peaks (0.96, 7.49, 114.39 ppm; 6.50 A): 2 out of 4 assignments used, quality = 0.99: QG2 VAL 83 + HZ2 TRP 92 OK 93 98 95 100 6.4-6.8 10296/2.8=93, ~9998=89...(7) HB2 ARG 81 + HZ2 TRP 92 OK 86 86 100 100 3.1-5.4 3.4/10925=86...(9) HG LEU 55 - HZ2 TRP 92 far 0 98 0 - 7.9-9.5 QG2 THR 80 - HZ2 TRP 92 far 0 83 0 - 8.6-9.9 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 4.0-5.5 14661/2.4=68, ~10925=56...(10) HG LEU 55 - HH2 TRP 92 far 0 87 0 - 7.8-9.8 QG2 VAL 83 - HH2 TRP 92 far 0 88 0 - 7.9-8.4 QG2 THR 80 - HH2 TRP 92 far 0 59 0 - 8.7-10.1 QG2 VAL 5 - HH2 TRP 92 far 0 99 0 - 9.9-11.2 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 = 0.97: QD1 LEU 57 + HH2 TRP 92 OK 90 90 100 100 5.8-6.5 9999/5.0=76, 9342/6.6=57...(8) QD2 LEU 57 + HH2 TRP 92 OK 74 95 80 97 5.8-7.7 9343/4.3=76...(7) QD2 LEU 103 - HH2 TRP 92 far 5 91 5 - 5.2-18.6 QD1 ILE 93 - HH2 TRP 92 far 0 57 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 14666 from cnoeabs.peaks (4.35, 7.49, 114.39 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.90: HA ARG 81 + HZ2 TRP 92 OK 90 95 100 95 5.0-6.5 3580/10925=75, ~14664=58...(5) Violated in 1 structures by 0.00 A. Peak 14667 from cnoeabs.peaks (1.74, 7.49, 114.39 ppm; 6.50 A): 1 out of 2 assignments used, quality = 0.97: HD2 ARG 81 + HZ2 TRP 92 OK 97 97 100 100 2.3-4.0 10925=96, 9975/2.8=88...(8) HB3 LYS 82 - HZ2 TRP 92 poor 11 80 30 46 6.5-7.4 9765/14666=41, 3589/14663=6 Violated in 0 structures by 0.00 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 100 100 100 100 3.0-5.2 3.0/9700=99, 8705=55...(12) HG3 ARG 79 + QD PHE 96 OK 100 100 100 100 4.5-6.0 3.0/9700=99, 1.8/8705=54...(11) HD3 LYS 53 + QD PHE 96 OK 91 91 100 100 4.9-5.8 9214/2.2=85, ~9212=59...(13) HB2 LEU 3 + QD PHE 96 OK 89 89 100 100 4.0-5.7 ~8068=90, 8066/2.2=85...(19) HB3 LEU 103 - QD PHE 96 far 5 99 5 - 5.0-14.9 HG LEU 57 - QD PHE 96 far 0 77 0 - 7.0-7.8 HG12 ILE 56 - QD PHE 96 far 0 100 0 - 7.8-8.4 HB3 GLU 28 - QD PHE 96 far 0 73 0 - 8.3-9.5 HG LEU 6 - QD PHE 96 far 0 100 0 - 8.6-9.4 HB ILE 7 - QD PHE 96 far 0 99 0 - 9.5-10.1 HG LEU 2 - QD PHE 96 far 0 96 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 14669 from cnoeabs.peaks (1.13, 7.03, 131.42 ppm; 6.50 A): 1 out of 2 assignments used, quality = 0.88: HB3 LEU 3 + QD PHE 96 OK 88 88 100 100 2.4-4.3 1.8/8065=98, ~8066=87...(19) HB2 LEU 29 - QD PHE 96 far 4 71 5 - 6.8-7.7 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 2.6-3.2 8169=100, 8170/2.2=98...(19) HG LEU 55 + QD PHE 96 OK 92 92 100 100 4.7-5.3 2.1/9284=96, ~9263=69...(22) HB2 ARG 81 - QD PHE 96 far 0 98 0 - 7.1-8.6 QG2 THR 80 - QD PHE 96 far 0 65 0 - 8.2-8.8 QG2 VAL 83 - QD PHE 96 far 0 93 0 - 9.0-9.3 Violated in 0 structures by 0.00 A. Peak 14671 from cnoeabs.peaks (0.75, 7.03, 131.42 ppm; 4.92 A): 4 out of 16 assignments used, quality = 1.00: QG2 ILE 93 + QD PHE 96 OK 100 100 100 100 3.7-4.4 10322/8169=73, 10031=72...(18) QD2 LEU 27 + QD PHE 96 OK 95 95 100 100 3.9-4.3 2.1/8645=93, 8647=90...(19) QG1 VAL 5 + QD PHE 96 OK 92 92 100 100 4.5-5.1 2.1/8169=96, ~8170=66...(17) QD1 LEU 27 + QD PHE 96 OK 89 89 100 100 2.2-2.7 8645=83, 2.1/8647=81...(19) HG3 ARG 81 - QD PHE 96 far 0 100 0 - 5.7-9.2 QG1 VAL 54 - QD PHE 96 far 0 96 0 - 5.9-6.7 HG13 ILE 93 - QD PHE 96 far 0 100 0 - 5.9-6.5 QD1 ILE 93 - QD PHE 96 far 0 88 0 - 6.0-6.8 QG1 VAL 78 - QD PHE 96 far 0 100 0 - 7.3-8.1 QG2 VAL 78 - QD PHE 96 far 0 85 0 - 7.5-8.2 QD1 LEU 6 - QD PHE 96 far 0 87 0 - 8.1-8.9 QD1 ILE 56 - QD PHE 96 far 0 59 0 - 8.1-8.7 QG2 ILE 52 - QD PHE 96 far 0 73 0 - 8.2-9.0 QD2 LEU 42 - QD PHE 96 far 0 92 0 - 8.9-9.7 HG13 ILE 56 - QD PHE 96 far 0 73 0 - 9.0-9.5 QD1 LEU 64 - QD PHE 96 far 0 100 0 - 9.0-9.9 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 2.9-3.3 10050/2.4=99...(27) QD1 LEU 3 + QD PHE 96 OK 88 88 100 100 3.8-4.6 ~8072=86, 8074/2.2=82...(21) 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 2.8-3.6 8169/2.2=95, 8170=92...(18) HG LEU 55 + QE PHE 96 OK 70 70 100 100 5.2-5.7 3.7/10669=95, ~9284=91...(15) HB2 ARG 81 - QE PHE 96 far 0 100 0 - 7.5-9.7 QG2 VAL 83 - QE PHE 96 far 0 72 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 14674 from cnoeabs.peaks (0.74, 6.96, 131.40 ppm; 5.64 A): 5 out of 17 assignments used, quality = 1.00: QD2 LEU 27 + QE PHE 96 OK 97 97 100 100 3.9-4.6 8646=97, 2.1/8644=94...(14) QG1 VAL 5 + QE PHE 96 OK 95 95 100 100 4.9-5.5 2.1/8170=97, ~8169=82...(16) QG1 VAL 54 + QE PHE 96 OK 92 92 100 100 4.7-5.5 3.2/9220=83...(11) QD1 LEU 27 + QE PHE 96 OK 83 83 100 100 3.0-4.2 2.1/8646=93, 8645/2.2=78...(18) QG2 ILE 93 + QE PHE 96 OK 54 99 55 100 5.2-6.1 10322/8170=83...(7) QG1 VAL 78 - QE PHE 96 poor 17 100 25 69 5.6-6.5 6898/9218=63, 3.2/10330=15 QG2 VAL 78 - QE PHE 96 far 0 90 0 - 6.0-7.0 QG2 ILE 52 - QE PHE 96 far 0 64 0 - 6.4-7.2 HG3 ARG 81 - QE PHE 96 far 0 100 0 - 6.6-10.3 QD1 LEU 6 - QE PHE 96 far 0 79 0 - 7.1-7.9 QD1 ILE 56 - QE PHE 96 far 0 66 0 - 7.1-7.7 QD1 ILE 93 - QE PHE 96 far 0 81 0 - 7.2-8.1 HG13 ILE 93 - QE PHE 96 far 0 100 0 - 7.4-8.1 QD2 LEU 42 - QE PHE 96 far 0 86 0 - 7.4-8.3 HG13 ILE 56 - QE PHE 96 far 0 79 0 - 7.8-8.6 QD1 LEU 64 - QE PHE 96 far 0 100 0 - 8.9-10.0 QG1 VAL 58 - QE PHE 96 far 0 88 0 - 9.7-10.2 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 4.1-4.4 4.0/10669=92...(22) QD1 LEU 3 + QE PHE 96 OK 81 81 100 100 3.7-4.6 2.1/8072=100...(26) 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 2.0-2.5 8072=100, 2.1/8074=100...(31) Violated in 0 structures by 0.00 A. Peak 14677 from cnoeabs.peaks (1.16, 6.96, 131.40 ppm; 6.50 A): 1 out of 3 assignments used, quality = 0.99: HB3 LEU 3 + QE PHE 96 OK 99 99 100 100 2.0-2.7 8068=100, 1.8/8066=99...(23) HB2 LEU 29 - QE PHE 96 far 0 100 0 - 7.1-8.3 HB2 LEU 6 - QE PHE 96 far 0 86 0 - 7.8-8.3 Violated in 0 structures by 0.00 A. Peak 14678 from cnoeabs.peaks (1.52, 6.96, 131.40 ppm; 6.50 A): 4 out of 10 assignments used, quality = 1.00: HG2 ARG 79 + QE PHE 96 OK 95 95 100 100 3.3-4.6 ~9700=83, 8705/2.2=53...(11) HG3 ARG 79 + QE PHE 96 OK 94 95 100 100 4.5-5.4 ~9700=83, 3.0/10912=52...(11) HD3 LYS 53 + QE PHE 96 OK 70 70 100 100 3.0-4.3 3.6/9206=95, 3.6/9204=92...(19) HB2 LEU 3 + QE PHE 96 OK 68 68 100 100 3.7-4.4 1.8/8068=100...(20) HG12 ILE 56 - QE PHE 96 poor 19 97 20 - 6.7-7.4 HB3 LEU 103 - QE PHE 96 far 5 100 5 - 5.9-14.3 HG LEU 6 - QE PHE 96 far 0 99 0 - 7.7-8.3 HG LEU 57 - QE PHE 96 far 0 93 0 - 7.9-8.7 HG LEU 2 - QE PHE 96 far 0 100 0 - 8.5-9.9 HB ILE 7 - QE PHE 96 far 0 100 0 - 10.0-10.6 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 9 assignments used, quality = 1.00: HB2 GLU 44 + QD PHE 45 OK 100 100 100 100 3.5-4.0 6725/6731=99, 8989=97...(12) HB3 GLU 44 + QD PHE 45 OK 100 100 100 100 4.9-5.3 1.8/8989=97, 3.0/8990=90...(9) QE MET 74 + QD PHE 45 OK 99 100 100 100 5.5-6.1 9604/9642=90...(7) HB3 ARG 46 + QD PHE 45 OK 45 58 95 81 6.0-7.3 6749/4.8=49, ~10613=24...(7) HB2 ARG 46 + QD PHE 45 OK 45 86 65 80 5.7-7.3 2067/4.8=40, ~10613=29...(7) HB3 MET 74 - QD PHE 45 far 0 64 0 - 7.1-8.3 HB2 LYS 47 - QD PHE 45 far 0 76 0 - 7.2-7.7 QE MET 1 - QD PHE 45 far 0 88 0 - 9.1-9.7 HB2 GLU 37 - QD PHE 45 far 0 89 0 - 9.7-10.4 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 11 assignments used, quality = 1.00: QD2 LEU 42 + QD PHE 45 OK 100 100 100 100 2.0-2.7 10600=99, 1944/8928=75...(14) QG1 VAL 54 + QD PHE 45 OK 99 99 100 100 2.4-3.4 2.1/9222=92, 9226/2.2=89...(10) QD1 LEU 6 + QD PHE 45 OK 99 99 100 100 2.6-3.4 8211=94, 8212/2.2=91...(10) QG2 ILE 52 + QD PHE 45 OK 96 97 100 100 4.3-4.8 9144=80, 8996/2035=72...(12) QD1 ILE 76 + QD PHE 45 OK 65 66 100 98 3.7-4.7 3.2/9632=54, 9642=54...(13) QG1 VAL 78 + QD PHE 45 OK 64 91 100 71 3.8-4.6 10906/9632=45...(4) QG1 VAL 5 - QD PHE 45 far 0 58 0 - 7.4-8.2 QD2 LEU 27 - QD PHE 45 far 0 64 0 - 8.4-9.4 QD2 LEU 57 - QD PHE 45 far 0 76 0 - 8.8-9.7 QD1 LEU 27 - QD PHE 45 far 0 100 0 - 8.8-9.4 QG2 ILE 7 - QD PHE 45 far 0 70 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 14681 from cnoeabs.peaks (0.67, 6.66, 129.63 ppm; 5.08 A): 4 out of 8 assignments used, quality = 1.00: QD2 LEU 6 + QD PHE 45 OK 96 96 100 100 4.4-5.1 8208/2.2=90, 2.1/8211=81...(8) QD1 LEU 42 + QD PHE 45 OK 94 95 100 100 4.6-5.1 2.1/10600=97...(12) QG2 VAL 54 + QD PHE 45 OK 93 93 100 100 1.9-2.4 9222=91, 9223/2.2=82...(16) QD1 ILE 52 + QD PHE 45 OK 88 88 100 100 2.3-3.0 8997/2035=80, 9147=78...(14) QD1 ILE 56 - QD PHE 45 far 7 66 10 - 5.3-5.9 QD1 ILE 8 - QD PHE 45 far 0 62 0 - 8.4-8.8 QD2 LEU 29 - QD PHE 45 far 0 76 0 - 8.7-9.2 QD1 LEU 29 - QD PHE 45 far 0 92 0 - 9.0-9.6 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 3.4-4.4 8928/2.2=95...(11) HA GLU 37 - QE PHE 45 far 0 93 0 - 8.2-9.1 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 far 0 94 0 - 6.8-10.7 HE3 LYS 47 - QE PHE 45 far 0 94 0 - 7.8-10.9 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 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 14686 from cnoeabs.peaks (0.76, 6.51, 129.73 ppm; 4.67 A): 3 out of 14 assignments used, quality = 1.00: QG1 VAL 54 + QE PHE 45 OK 100 100 100 100 2.2-2.9 9226=95, 2.1/9223=83...(15) QD1 LEU 6 + QE PHE 45 OK 99 99 100 100 1.9-2.0 8212=98, 2.1/8208=88...(16) QD2 LEU 42 + QE PHE 45 OK 98 100 100 99 3.4-4.4 10600/2.2=92...(10) QG1 VAL 78 - QE PHE 45 far 5 95 5 - 4.9-5.9 QD1 ILE 76 - QE PHE 45 far 0 59 0 - 5.4-6.5 QG2 ILE 52 - QE PHE 45 far 0 95 0 - 5.8-6.4 QG1 VAL 5 - QE PHE 45 far 0 67 0 - 6.2-7.0 QG2 ILE 7 - QE PHE 45 far 0 63 0 - 7.9-8.4 QD2 LEU 57 - QE PHE 45 far 0 69 0 - 7.9-8.9 QD2 LEU 27 - QE PHE 45 far 0 73 0 - 7.9-8.8 QD1 LEU 27 - QE PHE 45 far 0 100 0 - 8.2-8.7 QG2 ILE 93 - QE PHE 45 far 0 98 0 - 9.2-9.9 QG2 ILE 8 - QE PHE 45 far 0 85 0 - 9.3-10.3 QD1 ILE 93 - QE PHE 45 far 0 99 0 - 9.7-10.6 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 2.9-3.6 9223=100, 9222/2.2=97...(17) QD2 LEU 6 + QE PHE 45 OK 71 71 100 100 2.5-3.2 2.1/8212=98, 2.1/8205=86...(17) QD1 LEU 42 + QE PHE 45 OK 35 67 55 96 5.3-6.2 ~10600=77, 4.0/14683=44...(9) QD2 LEU 29 - QE PHE 45 far 0 98 0 - 7.0-7.5 QD1 LEU 29 - QE PHE 45 far 0 100 0 - 7.5-8.1 QD1 ILE 7 - QE PHE 45 far 0 71 0 - 9.9-10.3 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 3.8-4.6 2.5/8890=96, 2.5/8889=87...(12) QE TYR 41 + HZ PHE 45 OK 77 77 100 100 5.5-6.2 4.4/8890=77...(8) 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 5.9-6.2 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 2 assignments used, quality = 1.00: HD2 ARG 30 + HZ PHE 45 OK 99 99 100 100 3.7-5.7 8707=98, 3.0/8701=87...(6) HB3 TYR 41 + HZ PHE 45 OK 85 85 100 100 3.8-5.0 1.8/8890=100, ~8887=85...(11) Violated in 0 structures by 0.00 A. Peak 14691 from cnoeabs.peaks (2.29, 6.14, 127.52 ppm; 6.12 A): 2 out of 5 assignments used, quality = 1.00: HB2 TYR 4 + HZ PHE 45 OK 100 100 100 100 4.4-5.1 1.8/8127=92...(8) HB2 TYR 41 + HZ PHE 45 OK 79 79 100 100 2.4-3.4 1.8/8889=89...(11) HG3 GLU 43 - HZ PHE 45 far 0 63 0 - 8.9-11.0 HB2 GLU 48 - HZ PHE 45 far 0 98 0 - 9.8-11.6 HG2 GLU 37 - HZ PHE 45 far 0 82 0 - 9.8-12.1 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 6 assignments used, quality = 1.00: HG LEU 6 + HZ PHE 45 OK 100 100 100 100 3.3-4.2 2.1/8214=100...(14) HG3 ARG 30 + HZ PHE 45 OK 99 99 100 100 2.8-5.0 1.8/8701=97, 3.0/8707=85...(6) HG12 ILE 56 - HZ PHE 45 far 0 99 0 - 7.9-9.1 HG2 LYS 47 - HZ PHE 45 far 0 75 0 - 9.0-10.4 HB ILE 7 - HZ PHE 45 far 0 100 0 - 9.7-10.4 HB2 LEU 3 - HZ PHE 45 far 0 75 0 - 10.0-10.6 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 2.2-3.7 8701=100, 8720/8215=90...(7) HB3 LEU 42 - HZ PHE 45 far 0 99 0 - 7.8-8.8 Violated in 0 structures by 0.00 A. Peak 14695 from cnoeabs.peaks (2.46, 6.14, 127.52 ppm; 6.50 A): 1 out of 2 assignments used, quality = 1.00: HB3 TYR 4 + HZ PHE 45 OK 100 100 100 100 3.2-3.9 8127=100, 12076/2.2=92...(11) HG3 GLU 48 - HZ PHE 45 far 0 81 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 14696 from cnoeabs.peaks (0.78, 6.14, 127.52 ppm; 5.25 A): 2 out of 12 assignments used, quality = 1.00: QD1 LEU 6 + HZ PHE 45 OK 100 100 100 100 3.5-4.1 8214=100, 2.1/8215=97...(13) QG1 VAL 54 + HZ PHE 45 OK 96 96 100 100 3.8-4.7 9229=94, 9226/2.2=91...(12) QD2 LEU 42 - HZ PHE 45 far 15 99 15 - 5.5-6.3 QG1 VAL 78 - HZ PHE 45 far 0 75 0 - 6.9-7.8 QD1 ILE 76 - HZ PHE 45 far 0 87 0 - 7.2-8.3 QG2 ILE 52 - HZ PHE 45 far 0 100 0 - 7.2-8.0 QG2 ILE 7 - HZ PHE 45 far 0 90 0 - 8.2-8.9 QD2 LEU 2 - HZ PHE 45 far 0 73 0 - 8.7-10.3 QD1 LEU 27 - HZ PHE 45 far 0 99 0 - 8.9-9.4 QD2 LEU 57 - HZ PHE 45 far 0 93 0 - 9.1-10.3 QG2 ILE 93 - HZ PHE 45 far 0 84 0 - 9.8-10.6 QD1 LEU 70 - HZ PHE 45 far 0 59 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 2.8-3.7 8215=99, 8208/2.2=87...(17) QG2 VAL 54 + HZ PHE 45 OK 85 85 100 100 3.8-5.0 2.1/9229=67, 9223/2.2=66...(13) QD1 ILE 52 - HZ PHE 45 far 0 96 0 - 5.2-5.8 QD2 LEU 29 - HZ PHE 45 far 0 63 0 - 6.7-7.3 HG13 ILE 56 - HZ PHE 45 far 0 68 0 - 7.2-8.4 QD1 LEU 42 - HZ PHE 45 far 0 99 0 - 7.3-8.2 QD1 ILE 56 - HZ PHE 45 far 0 81 0 - 7.3-8.4 QD1 LEU 29 - HZ PHE 45 far 0 84 0 - 7.7-8.2 QD1 ILE 8 - HZ PHE 45 far 0 77 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 14698 from cnoeabs.peaks (1.46, 6.43, 132.25 ppm; 5.84 A): 2 out of 9 assignments used, quality = 1.00: HG13 ILE 52 + QD TYR 4 OK 100 100 100 100 2.1-3.0 10208/9224=78, ~8159=77...(30) HG3 LYS 53 + QD TYR 4 OK 21 99 35 62 5.7-6.6 5.0/14584=23...(6) HB2 LEU 27 - QD TYR 4 far 0 100 0 - 6.2-7.1 HG2 LYS 53 - QD TYR 4 far 0 100 0 - 6.2-6.9 HG LEU 29 - QD TYR 4 far 0 90 0 - 6.6-7.2 QB ALA 22 - QD TYR 4 far 0 90 0 - 6.6-7.0 HD2 LYS 53 - QD TYR 4 far 0 100 0 - 7.7-8.8 HG2 LYS 47 - QD TYR 4 far 0 70 0 - 8.5-9.7 HG13 ILE 76 - QD TYR 4 far 0 91 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Average quality of peak assignments : 0.966 Average number of used assignments : 1.868 Average rank of reference assignment: 1.277 Peaks with increased upper limit : 1359 Peaks with decreased upper limit : 0 Protons used in less than 30% of expected peaks: Peak observation distance: 5.21 A Atom Residue Shift Peaks Used Expect Peaks: selected : 9371 in nnoeabs.peaks : 2220 in cnoeabs.peaks : 7151 assigned : 9273 unassigned : 98 without assignment possibility : 19 with violation below 0.5 A : 34 with violation between 0.5 and 3.0 A : 39 with violation above 3.0 A : 6 in nnoeabs.peaks : 21 in cnoeabs.peaks : 77 with diagonal assignment : 902 Cross peaks: with off-diagonal assignment : 8371 with unique assignment : 4866 with short-range assignment |i-j|<=1: 5692 with medium-range assignment 1<|i-j|<5 : 1201 with long-range assignment |i-j|>=5: 1478 Comparison with reference assignment: Cross peaks with reference assignment : 5478 with identical reference assignment : 2779 with compatible reference assignment : 5004 with incompatible reference assignment : 253 with additional reference assignment : 11 with additional assignment : 3114